data_2aiy_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2aiy _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.678 0 N-CA-C 111.939 -0.464 . . . . 0.0 111.939 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.7 tt -149.81 -41.98 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 120.805 0.336 . . . . 0.0 111.558 -179.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.604 HG22 ' HA ' ' B' ' 28' ' ' PRO . 3.1 t -82.44 -37.51 14.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -178.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -61.02 -44.0 98.05 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.494 -178.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.504 ' HG3' ' SG ' ' A' ' 11' ' ' CYS . 20.4 pt20 -73.59 -23.9 59.99 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -179.048 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 97.4 m -98.78 -33.4 10.92 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 113.725 1.009 . . . . 0.0 113.725 -177.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.496 ' HA ' HG11 ' F' ' 2' ' ' VAL . 48.9 t -76.3 0.05 20.74 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 -178.685 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.7 t -88.64 -63.91 1.23 Allowed 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.533 -0.467 . . . . 0.0 111.02 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.438 ' O ' ' HB ' ' A' ' 10' ' ' ILE . 26.5 m -141.89 30.27 1.65 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 122.025 -0.422 . . . . 0.0 111.319 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.438 ' HB ' ' O ' ' A' ' 9' ' ' SER . 2.5 mp 71.42 144.57 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 CA-C-O 121.253 0.549 . . . . 0.0 111.384 179.378 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.504 ' SG ' ' HG3' ' A' ' 5' ' ' GLN . 88.6 m -102.27 167.46 9.97 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.107 0.48 . . . . 0.0 111.566 -179.377 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.607 ' HB3' ' HG3' ' A' ' 15' ' ' GLN . 40.0 t -79.9 154.52 28.28 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.62 178.446 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 22.0 tp -54.73 -45.54 74.1 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.524 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -66.32 -25.1 66.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.059 -0.519 . . . . 0.0 112.066 -178.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.607 ' HG3' ' HB3' ' A' ' 12' ' ' SER . 21.9 mt-30 -73.47 -39.67 64.72 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.929 0.395 . . . . 0.0 110.41 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 83.4 mt -68.22 -34.59 76.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.965 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -57.98 -24.69 59.13 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 115.813 -0.63 . . . . 0.0 112.167 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -72.25 -15.27 61.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.851 0.358 . . . . 0.0 111.192 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.503 ' HD1' ' HE1' ' B' ' 25' ' ' PHE . 59.8 m-85 -106.51 -2.95 21.4 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.921 0.391 . . . . 0.0 110.768 -179.288 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 12.3 t -74.89 149.51 39.46 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.108 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 . . . . . 0 C--O 1.252 1.2 0 CA-C-O 118.707 -0.663 . . . . 0.0 110.336 -179.44 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . 0.496 ' O ' HG21 ' B' ' 2' ' ' VAL . 7.4 p90 . . . . . 0 N--CA 1.487 1.398 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . 0.516 HG22 ' HB2' ' B' ' 6' ' ' LEU . 26.2 m 39.63 -138.25 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 124.196 0.998 . . . . 0.0 113.267 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -157.95 -171.56 3.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.772 0.32 . . . . 0.0 110.513 -178.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . 0.556 ' HG3' HG13 ' A' ' 3' ' ' VAL . 30.2 tt0 -50.06 -34.1 20.5 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 124.297 1.039 . . . . 0.0 111.475 178.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . 0.454 ' HE1' ' HA2' ' D' ' 20' ' ' GLY . 55.5 t60 -58.32 -15.67 11.28 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.152 -0.931 . . . . 0.0 113.053 -178.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.516 ' HB2' HG22 ' B' ' 2' ' ' VAL . 43.2 mt -127.18 -20.29 4.15 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.312 0.577 . . . . 0.0 110.959 179.193 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . 0.417 ' SG ' HG12 ' F' ' 2' ' ' VAL . 1.3 t -76.21 -33.08 59.26 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.475 179.494 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . 0.556 ' HA3' ' OH ' ' B' ' 26' ' ' TYR . . . -70.65 -22.14 77.94 Favored Glycine 0 N--CA 1.447 -0.588 0 CA-C-N 115.783 -0.644 . . . . 0.0 113.825 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' SER . . . . . 0.891 ' HB2' ' HG2' ' D' ' 13' ' ' GLU . 18.2 p -66.0 -15.72 63.27 Favored 'General case' 0 C--O 1.225 -0.234 0 CA-C-N 117.274 0.537 . . . . 0.0 110.763 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -106.59 -20.59 13.32 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.609 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 73.4 mt -68.26 -37.32 80.62 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 1.07 HG22 HG22 ' D' ' 12' ' ' VAL . 4.9 m -67.33 -33.83 65.14 Favored 'Isoleucine or valine' 0 C--O 1.232 0.139 0 CA-C-N 115.085 -0.961 . . . . 0.0 111.647 179.466 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.881 ' HG2' ' HB2' ' D' ' 9' ' ' SER . 43.2 mt-10 -56.24 -41.86 76.41 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 121.136 0.493 . . . . 0.0 110.374 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . 0.671 ' HB3' HD23 ' H' ' 17' ' ' LEU . . . -81.42 -33.76 31.96 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.516 178.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.594 ' HB2' ' HA ' ' B' ' 12' ' ' VAL . 3.0 mt -55.26 -55.04 35.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.419 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . 0.749 ' HB3' ' CE1' ' B' ' 24' ' ' PHE . 6.7 p90 -76.57 -14.82 59.98 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 119.643 -0.823 . . . . 0.0 111.351 -179.324 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.661 HD23 ' HB3' ' H' ' 14' ' ' ALA . 33.2 tp -69.43 -34.29 74.22 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 177.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 96.1 t -68.13 -46.39 81.47 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.371 178.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . 0.685 ' HB3' ' HB2' ' B' ' 22' ' ' ARG . 85.5 m -66.69 -43.0 85.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.082 179.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . 0.45 ' HA2' ' HE1' ' D' ' 5' ' ' HIS . . . 68.14 -87.18 0.18 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 121.423 -0.418 . . . . 0.0 112.895 179.552 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -88.69 -6.6 57.35 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.97 0.414 . . . . 0.0 110.449 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . 0.685 ' HB2' ' HB3' ' B' ' 19' ' ' CYS . 19.9 mtt85 -104.08 172.69 6.66 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.094 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . 0.787 ' HA2' ' HD2' ' D' ' 28' ' ' PRO . . . -112.89 -159.91 14.2 Favored Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 178.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . 0.749 ' CE1' ' HB3' ' B' ' 16' ' ' TYR . 8.4 p90 -173.44 158.44 3.48 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.025 0.441 . . . . 0.0 110.514 179.435 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . 0.503 ' HE1' ' HD1' ' A' ' 19' ' ' TYR . 4.1 p90 -104.44 124.45 49.26 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 178.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.556 ' OH ' ' HA3' ' B' ' 8' ' ' GLY . 78.6 t80 -116.21 123.64 48.27 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.0 -178.586 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 6.7 p -126.51 97.33 34.0 Favored Pre-proline 0 C--N 1.317 -0.841 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.787 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . 0.783 ' HD2' ' HA2' ' D' ' 23' ' ' GLY . 59.9 Cg_endo -73.38 52.65 2.42 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 122.931 2.421 . . . . 0.0 111.331 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 30.1 tttt -117.79 -33.11 4.61 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 114.697 -1.138 . . . . 0.0 109.166 -179.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 7.0 m . . . . . 0 C--O 1.246 0.917 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 179.53 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.729 0 N-CA-C 111.939 -0.464 . . . . 0.0 111.939 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 4.7 tt -150.76 -41.55 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 120.637 0.256 . . . . 0.0 111.433 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 3' ' ' VAL . . . . . 0.628 HG22 ' HA ' ' D' ' 28' ' ' PRO . 3.2 t -82.59 -38.47 15.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 111.815 0.302 . . . . 0.0 111.815 -178.625 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -60.69 -44.42 96.57 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.386 -178.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 5' ' ' GLN . . . . . 0.49 ' HG3' ' SG ' ' C' ' 11' ' ' CYS . 19.3 pt20 -73.03 -21.77 60.75 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -178.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 92.7 m -101.23 -33.12 10.2 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 113.488 0.921 . . . . 0.0 113.488 -177.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 7' ' ' CYS . . . . . 0.493 ' HA ' HG11 ' L' ' 2' ' ' VAL . 48.6 t -76.3 0.42 19.41 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 111.825 0.306 . . . . 0.0 111.825 -178.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 1.4 t -88.9 -64.58 1.12 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 121.853 -0.529 . . . . 0.0 110.953 179.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 9' ' ' SER . . . . . 0.451 ' O ' ' HB ' ' C' ' 10' ' ' ILE . 17.9 m -140.69 28.45 1.97 Allowed 'General case' 0 C--N 1.328 -0.341 0 O-C-N 122.038 -0.413 . . . . 0.0 111.681 -179.197 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . 0.451 ' HB ' ' O ' ' C' ' 9' ' ' SER . 2.5 mp 72.39 143.5 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 CA-C-O 121.101 0.476 . . . . 0.0 111.321 179.592 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 11' ' ' CYS . . . . . 0.49 ' SG ' ' HG3' ' C' ' 5' ' ' GLN . 86.4 m -101.04 167.88 9.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.001 0.429 . . . . 0.0 111.631 -179.382 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 12' ' ' SER . . . . . 0.665 ' HB3' ' HG3' ' C' ' 15' ' ' GLN . 36.8 t -79.2 156.83 28.01 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.647 178.232 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 21.8 tp -57.36 -45.57 84.24 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.263 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -65.42 -26.33 67.92 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.91 -0.586 . . . . 0.0 112.207 -179.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . 0.665 ' HG3' ' HB3' ' C' ' 12' ' ' SER . 20.8 mt-30 -72.54 -41.01 66.27 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.774 0.321 . . . . 0.0 110.451 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 79.4 mt -67.01 -34.74 78.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.834 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -57.07 -25.57 58.92 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.669 -0.696 . . . . 0.0 112.4 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -71.61 -14.83 62.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.802 0.334 . . . . 0.0 111.432 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 19' ' ' TYR . . . . . 0.512 ' HD1' ' HE1' ' D' ' 25' ' ' PHE . 58.8 m-85 -106.91 -3.92 19.7 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.623 -179.153 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 11.6 t -73.85 149.55 41.5 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.26 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.666 -0.683 . . . . 0.0 110.857 -179.13 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' D' D ' 1' ' ' PHE . . . . . 0.484 ' O ' HG21 ' D' ' 2' ' ' VAL . 6.7 p90 . . . . . 0 N--CA 1.485 1.3 0 N-CA-C 111.738 0.273 . . . . 0.0 111.738 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 2' ' ' VAL . . . . . 0.505 HG22 ' HB2' ' D' ' 6' ' ' LEU . 24.1 m 39.54 -136.76 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 124.365 1.066 . . . . 0.0 113.437 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 3' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -158.98 -172.81 3.95 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 120.708 0.29 . . . . 0.0 110.42 -178.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 4' ' ' GLN . . . . . 0.564 ' HG3' HG13 ' C' ' 3' ' ' VAL . 30.7 tt0 -49.68 -33.93 17.1 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 124.28 1.032 . . . . 0.0 111.387 178.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 5' ' ' HIS . . . . . 0.45 ' HE1' ' HA2' ' B' ' 20' ' ' GLY . 55.6 t60 -58.47 -15.3 10.42 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 115.348 -0.842 . . . . 0.0 113.043 -178.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 6' ' ' LEU . . . . . 0.505 ' HB2' HG22 ' D' ' 2' ' ' VAL . 37.5 mt -126.99 -21.24 4.02 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.306 0.574 . . . . 0.0 110.761 179.26 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 7' ' ' CYS . . . . . 0.409 ' SG ' HG12 ' L' ' 2' ' ' VAL . 1.1 t -75.47 -33.06 60.8 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.703 179.516 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 8' ' ' GLY . . . . . 0.558 ' HA3' ' OH ' ' D' ' 26' ' ' TYR . . . -70.42 -22.28 77.67 Favored Glycine 0 N--CA 1.446 -0.651 0 CA-C-N 115.717 -0.674 . . . . 0.0 113.703 -179.648 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 9' ' ' SER . . . . . 0.881 ' HB2' ' HG2' ' B' ' 13' ' ' GLU . 19.6 p -66.18 -15.6 63.28 Favored 'General case' 0 C--O 1.225 -0.195 0 CA-C-N 117.244 0.522 . . . . 0.0 110.721 -179.551 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 10' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -106.69 -20.63 13.29 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.612 -179.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 11' ' ' LEU . . . . . . . . . . . . . 73.9 mt -68.23 -37.13 80.51 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 177.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 12' ' ' VAL . . . . . 1.07 HG22 HG22 ' B' ' 12' ' ' VAL . 4.6 m -67.41 -33.74 64.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.076 -0.965 . . . . 0.0 111.744 179.554 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 13' ' ' GLU . . . . . 0.891 ' HG2' ' HB2' ' B' ' 9' ' ' SER . 43.9 mt-10 -56.52 -41.89 77.48 Favored 'General case' 0 N--CA 1.461 0.102 0 CA-C-O 121.183 0.516 . . . . 0.0 110.35 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 14' ' ' ALA . . . . . 0.684 ' HB3' HD23 ' J' ' 17' ' ' LEU . . . -81.48 -33.26 32.08 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.583 178.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 15' ' ' LEU . . . . . 0.597 ' HB2' ' HA ' ' D' ' 12' ' ' VAL . 3.0 mt -55.81 -54.75 40.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.432 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 16' ' ' TYR . . . . . 0.734 ' HB3' ' CE1' ' D' ' 24' ' ' PHE . 6.5 p90 -76.72 -14.42 59.95 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 119.617 -0.833 . . . . 0.0 111.257 -179.202 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . 0.663 HD23 ' HB3' ' J' ' 14' ' ' ALA . 33.6 tp -70.02 -34.36 73.17 Favored 'General case' 0 C--O 1.232 0.179 0 N-CA-C 108.134 -1.061 . . . . 0.0 108.134 178.043 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 96.4 t -68.32 -44.02 84.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 114.876 -1.056 . . . . 0.0 109.636 178.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 19' ' ' CYS . . . . . 0.716 ' HB3' ' HB2' ' D' ' 22' ' ' ARG . 89.9 m -69.52 -42.38 74.77 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.936 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 20' ' ' GLY . . . . . 0.454 ' HA2' ' HE1' ' B' ' 5' ' ' HIS . . . 68.38 -86.56 0.19 Allowed Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 121.347 -0.454 . . . . 0.0 112.841 179.541 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -90.03 -4.76 57.22 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.999 0.428 . . . . 0.0 110.705 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 22' ' ' ARG . . . . . 0.716 ' HB2' ' HB3' ' D' ' 19' ' ' CYS . 20.4 mtt85 -105.91 172.71 6.66 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.792 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 23' ' ' GLY . . . . . 0.783 ' HA2' ' HD2' ' B' ' 28' ' ' PRO . . . -113.23 -159.35 13.61 Favored Glycine 0 N--CA 1.447 -0.608 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 178.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 24' ' ' PHE . . . . . 0.734 ' CE1' ' HB3' ' D' ' 16' ' ' TYR . 8.7 p90 -173.62 158.79 3.44 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 117.076 0.438 . . . . 0.0 110.321 179.593 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 25' ' ' PHE . . . . . 0.512 ' HE1' ' HD1' ' C' ' 19' ' ' TYR . 3.9 p90 -104.99 124.9 50.33 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 178.628 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 26' ' ' TYR . . . . . 0.558 ' OH ' ' HA3' ' D' ' 8' ' ' GLY . 78.6 t80 -116.73 122.71 45.28 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.237 -178.414 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 27' ' ' THR . . . . . . . . . . . . . 6.8 p -125.79 97.29 36.14 Favored Pre-proline 0 C--N 1.313 -0.998 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.828 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 28' ' ' PRO . . . . . 0.787 ' HD2' ' HA2' ' B' ' 23' ' ' GLY . 59.5 Cg_endo -72.9 50.85 1.85 Allowed 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 123.046 2.498 . . . . 0.0 111.656 179.431 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 28.2 tttt -115.11 -35.01 4.84 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 114.763 -1.108 . . . . 0.0 109.159 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 8.8 m . . . . . 0 C--O 1.246 0.899 0 CA-C-O 117.994 -1.003 . . . . 0.0 108.32 179.544 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.841 0 N-CA-C 111.886 -0.486 . . . . 0.0 111.886 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' E' E ' 2' ' ' ILE . . . . . . . . . . . . . 4.9 tt -149.42 -41.55 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 120.773 0.32 . . . . 0.0 111.603 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 3' ' ' VAL . . . . . 0.618 HG22 ' HA ' ' F' ' 28' ' ' PRO . 3.2 t -82.59 -37.9 14.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -178.645 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 4' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -60.69 -46.37 90.63 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.109 -179.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 5' ' ' GLN . . . . . 0.495 ' HG3' ' SG ' ' E' ' 11' ' ' CYS . 19.7 pt20 -71.05 -22.7 62.1 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -178.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 6' ' ' CYS . . . . . . . . . . . . . 94.1 m -100.27 -33.49 10.39 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 -177.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 7' ' ' CYS . . . . . 0.494 ' HA ' HG11 ' J' ' 2' ' ' VAL . 49.0 t -76.53 0.69 19.02 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -178.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 1.7 t -88.8 -65.69 0.99 Allowed 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.684 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 9' ' ' SER . . . . . 0.455 ' O ' ' HB ' ' E' ' 10' ' ' ILE . 22.1 m -139.8 29.86 2.09 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 122.354 -0.216 . . . . 0.0 111.575 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 10' ' ' ILE . . . . . 0.455 ' HB ' ' O ' ' E' ' 9' ' ' SER . 2.4 mp 71.79 145.39 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.236 179.654 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 11' ' ' CYS . . . . . 0.495 ' SG ' ' HG3' ' E' ' 5' ' ' GLN . 94.1 m -102.74 168.48 9.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.228 0.537 . . . . 0.0 111.79 -179.441 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 12' ' ' SER . . . . . 0.656 ' HB3' ' HG3' ' E' ' 15' ' ' GLN . 38.1 t -80.45 154.62 27.52 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.584 178.474 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 21.6 tp -54.92 -45.86 74.84 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.071 0.462 . . . . 0.0 111.301 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -65.73 -25.76 67.44 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.027 -0.533 . . . . 0.0 112.184 -178.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 15' ' ' GLN . . . . . 0.656 ' HG3' ' HB3' ' E' ' 12' ' ' SER . 21.6 mt-30 -72.89 -40.47 65.56 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.812 0.339 . . . . 0.0 110.369 179.735 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 16' ' ' LEU . . . . . . . . . . . . . 82.5 mt -67.65 -34.73 77.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.853 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 17' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -57.12 -26.32 60.31 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.07 -0.514 . . . . 0.0 112.303 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 18' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -70.95 -14.69 62.45 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.81 0.338 . . . . 0.0 111.539 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 19' ' ' TYR . . . . . 0.5 ' HD1' ' HE1' ' F' ' 25' ' ' PHE . 59.7 m-85 -107.29 -3.32 19.82 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.88 0.371 . . . . 0.0 110.925 -179.245 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 20' ' ' CYS . . . . . . . . . . . . . 12.4 t -74.44 149.43 40.4 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.149 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 21' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 . . . . . 0 C--O 1.253 1.252 0 CA-C-O 118.617 -0.706 . . . . 0.0 110.086 -179.535 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' F' F ' 1' ' ' PHE . . . . . 0.499 ' O ' HG21 ' F' ' 2' ' ' VAL . 7.7 p90 . . . . . 0 N--CA 1.486 1.325 0 N-CA-C 111.717 0.265 . . . . 0.0 111.717 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 2' ' ' VAL . . . . . 0.523 HG22 ' HB2' ' F' ' 6' ' ' LEU . 24.6 m 40.07 -136.9 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 124.287 1.035 . . . . 0.0 113.245 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 3' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -159.13 -172.98 3.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.791 0.329 . . . . 0.0 110.39 -178.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 4' ' ' GLN . . . . . 0.561 ' HG3' HG13 ' E' ' 3' ' ' VAL . 29.8 tt0 -49.41 -33.44 13.91 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 124.198 0.999 . . . . 0.0 111.538 178.75 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 5' ' ' HIS . . . . . 0.438 ' HE1' ' HA2' ' H' ' 20' ' ' GLY . 56.8 t60 -58.7 -15.6 12.67 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 115.292 -0.867 . . . . 0.0 112.901 -178.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 6' ' ' LEU . . . . . 0.523 ' HB2' HG22 ' F' ' 2' ' ' VAL . 41.8 mt -127.03 -20.88 4.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.368 0.604 . . . . 0.0 110.936 179.083 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 7' ' ' CYS . . . . . 0.412 ' SG ' HG12 ' J' ' 2' ' ' VAL . 1.3 t -75.54 -33.75 60.71 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.539 179.567 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 8' ' ' GLY . . . . . 0.564 ' HA3' ' OH ' ' F' ' 26' ' ' TYR . . . -69.86 -22.42 76.97 Favored Glycine 0 N--CA 1.445 -0.733 0 CA-C-N 115.954 -0.567 . . . . 0.0 113.798 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 9' ' ' SER . . . . . 0.887 ' HB2' ' HG2' ' H' ' 13' ' ' GLU . 19.5 p -65.85 -16.15 63.57 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 121.196 0.522 . . . . 0.0 110.829 -179.605 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 10' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -106.26 -20.46 13.39 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.659 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 11' ' ' LEU . . . . . . . . . . . . . 72.7 mt -68.49 -37.15 79.85 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 177.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 12' ' ' VAL . . . . . 1.09 HG22 HG22 ' H' ' 12' ' ' VAL . 4.8 m -67.49 -33.43 62.25 Favored 'Isoleucine or valine' 0 C--O 1.232 0.171 0 CA-C-N 115.098 -0.955 . . . . 0.0 111.688 179.444 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 13' ' ' GLU . . . . . 0.896 ' HG2' ' HB2' ' H' ' 9' ' ' SER . 43.3 mt-10 -56.51 -42.08 77.79 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 121.331 0.586 . . . . 0.0 110.333 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 14' ' ' ALA . . . . . 0.658 ' HB3' HD23 ' L' ' 17' ' ' LEU . . . -81.23 -33.29 32.94 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.679 178.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 15' ' ' LEU . . . . . 0.603 ' HB2' ' HA ' ' F' ' 12' ' ' VAL . 3.0 mt -55.9 -54.71 41.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.495 -179.703 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 16' ' ' TYR . . . . . 0.749 ' HB3' ' CE1' ' F' ' 24' ' ' PHE . 6.6 p90 -76.46 -15.15 59.98 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 119.752 -0.779 . . . . 0.0 111.08 -179.347 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 17' ' ' LEU . . . . . 0.665 HD23 ' HB3' ' L' ' 14' ' ' ALA . 32.6 tp -69.07 -35.0 76.06 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 177.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 94.0 t -67.77 -45.61 84.09 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.516 178.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 19' ' ' CYS . . . . . 0.672 ' HB3' ' HB2' ' F' ' 22' ' ' ARG . 87.8 m -67.62 -43.21 80.94 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.053 179.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 20' ' ' GLY . . . . . 0.41 ' HA2' ' HE1' ' H' ' 5' ' ' HIS . . . 68.41 -87.43 0.2 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 121.355 -0.45 . . . . 0.0 112.957 179.459 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 21' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -88.74 -5.36 58.14 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.019 0.438 . . . . 0.0 110.583 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 22' ' ' ARG . . . . . 0.672 ' HB2' ' HB3' ' F' ' 19' ' ' CYS . 18.9 mtt85 -105.41 172.27 6.88 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.937 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 23' ' ' GLY . . . . . 0.783 ' HA2' ' HD2' ' H' ' 28' ' ' PRO . . . -112.57 -159.29 14.23 Favored Glycine 0 C--O 1.226 -0.387 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 178.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 24' ' ' PHE . . . . . 0.749 ' CE1' ' HB3' ' F' ' 16' ' ' TYR . 8.9 p90 -173.79 158.65 3.3 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.052 0.453 . . . . 0.0 110.451 179.505 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 25' ' ' PHE . . . . . 0.5 ' HE1' ' HD1' ' E' ' 19' ' ' TYR . 3.8 p90 -104.75 124.33 49.21 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 178.658 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 26' ' ' TYR . . . . . 0.564 ' OH ' ' HA3' ' F' ' 8' ' ' GLY . 79.3 t80 -116.12 122.85 46.34 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.149 -178.656 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 27' ' ' THR . . . . . . . . . . . . . 3.2 p -125.67 97.46 36.14 Favored Pre-proline 0 C--N 1.314 -0.95 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.701 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 28' ' ' PRO . . . . . 0.812 ' HD2' ' HA2' ' H' ' 23' ' ' GLY . 61.0 Cg_endo -73.65 52.9 2.59 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.863 2.375 . . . . 0.0 111.396 179.578 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 29' ' ' LYS . . . . . . . . . . . . . 28.5 tttt -117.16 -34.92 4.2 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.88 -1.054 . . . . 0.0 108.964 -179.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 30' ' ' THR . . . . . . . . . . . . . 9.2 m . . . . . 0 C--O 1.245 0.848 0 CA-C-O 118.114 -0.946 . . . . 0.0 108.581 179.567 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' G' G ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.586 0 N-CA-C 111.762 -0.535 . . . . 0.0 111.762 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' G' G ' 2' ' ' ILE . . . . . . . . . . . . . 4.7 tt -150.46 -41.47 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.694 0.283 . . . . 0.0 111.413 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 3' ' ' VAL . . . . . 0.6 HG22 ' HA ' ' H' ' 28' ' ' PRO . 3.3 t -82.53 -38.86 15.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -178.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' G' G ' 4' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -60.06 -45.24 93.54 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.586 0.232 . . . . 0.0 111.381 -178.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 5' ' ' GLN . . . . . 0.471 ' HG3' ' SG ' ' G' ' 11' ' ' CYS . 19.5 pt20 -71.98 -22.26 61.46 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 -178.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' G' G ' 6' ' ' CYS . . . . . . . . . . . . . 91.1 m -100.64 -33.73 10.17 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 113.539 0.94 . . . . 0.0 113.539 -177.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 7' ' ' CYS . . . . . 0.492 ' HA ' HG11 ' D' ' 2' ' ' VAL . 47.7 t -75.73 -0.09 19.68 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -178.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' G' G ' 8' ' ' THR . . . . . . . . . . . . . 1.7 t -88.29 -65.18 1.04 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 121.923 -0.486 . . . . 0.0 110.806 179.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 9' ' ' SER . . . . . 0.434 ' O ' ' HB ' ' G' ' 10' ' ' ILE . 19.9 m -140.71 29.97 1.9 Allowed 'General case' 0 C--N 1.328 -0.329 0 O-C-N 122.238 -0.289 . . . . 0.0 111.681 -179.487 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' G' G ' 10' ' ' ILE . . . . . 0.434 ' HB ' ' O ' ' G' ' 9' ' ' SER . 2.5 mp 71.58 144.26 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.663 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.247 179.529 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' G' G ' 11' ' ' CYS . . . . . 0.471 ' SG ' ' HG3' ' G' ' 5' ' ' GLN . 86.2 m -101.54 169.28 8.95 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.068 0.461 . . . . 0.0 111.766 -179.321 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' G' G ' 12' ' ' SER . . . . . 0.655 ' HB3' ' HG3' ' G' ' 15' ' ' GLN . 31.5 t -80.37 156.3 26.76 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.558 178.44 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' G' G ' 13' ' ' LEU . . . . . . . . . . . . . 21.5 tp -57.56 -45.25 85.38 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.08 0.466 . . . . 0.0 111.242 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -65.75 -25.5 67.3 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.91 -0.587 . . . . 0.0 112.103 -179.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 15' ' ' GLN . . . . . 0.655 ' HG3' ' HB3' ' G' ' 12' ' ' SER . 21.7 mt-30 -73.45 -39.62 64.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.797 0.332 . . . . 0.0 110.614 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' G' G ' 16' ' ' LEU . . . . . . . . . . . . . 82.8 mt -68.54 -34.46 75.9 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.845 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 17' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -58.1 -24.43 58.65 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.858 -0.61 . . . . 0.0 112.264 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 18' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -71.64 -15.89 62.25 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.825 0.345 . . . . 0.0 111.138 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 19' ' ' TYR . . . . . 0.499 ' HD1' ' HE1' ' H' ' 25' ' ' PHE . 59.5 m-85 -106.24 -2.47 22.36 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.876 0.369 . . . . 0.0 110.963 -179.128 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' G' G ' 20' ' ' CYS . . . . . . . . . . . . . 12.1 t -74.59 150.15 39.81 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.182 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 21' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.702 -0.666 . . . . 0.0 110.52 -179.248 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' H' H ' 1' ' ' PHE . . . . . 0.487 ' O ' HG21 ' H' ' 2' ' ' VAL . 6.9 p90 . . . . . 0 N--CA 1.482 1.168 0 N-CA-C 111.642 0.238 . . . . 0.0 111.642 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 2' ' ' VAL . . . . . 0.525 HG22 ' HB2' ' H' ' 6' ' ' LEU . 27.5 m 39.4 -138.49 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 C-N-CA 124.149 0.98 . . . . 0.0 113.438 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' H' H ' 3' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -157.41 -171.89 3.77 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.686 0.279 . . . . 0.0 110.4 -178.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 4' ' ' GLN . . . . . 0.598 ' HG3' HG13 ' G' ' 3' ' ' VAL . 31.5 tt0 -49.92 -34.56 20.9 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 124.359 1.064 . . . . 0.0 111.397 178.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' H' H ' 5' ' ' HIS . . . . . 0.41 ' HE1' ' HA2' ' F' ' 20' ' ' GLY . 57.4 t60 -57.62 -15.75 8.43 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 115.175 -0.92 . . . . 0.0 113.068 -178.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' H' H ' 6' ' ' LEU . . . . . 0.525 ' HB2' HG22 ' H' ' 2' ' ' VAL . 40.5 mt -126.99 -20.98 4.07 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.423 0.63 . . . . 0.0 110.611 179.32 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' H' H ' 7' ' ' CYS . . . . . 0.416 ' SG ' HG12 ' D' ' 2' ' ' VAL . 1.4 t -75.54 -33.83 60.7 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.612 179.591 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' H' H ' 8' ' ' GLY . . . . . 0.553 ' HA3' ' OH ' ' H' ' 26' ' ' TYR . . . -69.68 -22.56 76.79 Favored Glycine 0 N--CA 1.444 -0.783 0 CA-C-N 115.746 -0.661 . . . . 0.0 113.702 -179.665 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' H' H ' 9' ' ' SER . . . . . 0.896 ' HB2' ' HG2' ' F' ' 13' ' ' GLU . 19.6 p -66.01 -15.74 63.29 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 117.43 0.615 . . . . 0.0 110.795 -179.438 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' H' H ' 10' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -106.42 -20.94 13.23 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.682 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 11' ' ' LEU . . . . . . . . . . . . . 72.9 mt -68.01 -37.42 81.41 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 177.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 12' ' ' VAL . . . . . 1.09 HG22 HG22 ' F' ' 12' ' ' VAL . 4.6 m -67.14 -33.67 64.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.043 -0.98 . . . . 0.0 111.7 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' H' H ' 13' ' ' GLU . . . . . 0.887 ' HG2' ' HB2' ' F' ' 9' ' ' SER . 43.2 mt-10 -56.55 -41.92 77.66 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-O 121.27 0.557 . . . . 0.0 110.368 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' H' H ' 14' ' ' ALA . . . . . 0.661 ' HB3' HD23 ' B' ' 17' ' ' LEU . . . -81.34 -33.58 32.35 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.627 179.008 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' H' H ' 15' ' ' LEU . . . . . 0.595 ' HB2' ' HA ' ' H' ' 12' ' ' VAL . 2.9 mt -55.68 -54.75 40.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.694 -0.684 . . . . 0.0 112.39 -179.705 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' H' H ' 16' ' ' TYR . . . . . 0.751 ' HB3' ' CE1' ' H' ' 24' ' ' PHE . 6.5 p90 -76.63 -14.74 59.96 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 119.724 -0.79 . . . . 0.0 111.092 -179.284 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' H' H ' 17' ' ' LEU . . . . . 0.671 HD23 ' HB3' ' B' ' 14' ' ' ALA . 31.7 tp -69.76 -33.77 72.88 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 108.388 -0.968 . . . . 0.0 108.388 177.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 92.1 t -68.84 -45.11 81.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.452 178.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 19' ' ' CYS . . . . . 0.708 ' HB3' ' HB2' ' H' ' 22' ' ' ARG . 88.9 m -68.41 -42.47 78.94 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.919 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' H' H ' 20' ' ' GLY . . . . . 0.438 ' HA2' ' HE1' ' F' ' 5' ' ' HIS . . . 68.13 -86.61 0.18 Allowed Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 121.415 -0.422 . . . . 0.0 112.932 179.474 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' H' H ' 21' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -88.88 -6.94 56.97 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.977 0.418 . . . . 0.0 110.619 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 22' ' ' ARG . . . . . 0.708 ' HB2' ' HB3' ' H' ' 19' ' ' CYS . 19.1 mtt85 -103.79 173.19 6.41 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.169 -179.619 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' H' H ' 23' ' ' GLY . . . . . 0.812 ' HA2' ' HD2' ' F' ' 28' ' ' PRO . . . -113.63 -159.6 13.43 Favored Glycine 0 N--CA 1.446 -0.659 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 178.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' H' H ' 24' ' ' PHE . . . . . 0.751 ' CE1' ' HB3' ' H' ' 16' ' ' TYR . 8.9 p90 -173.57 159.24 3.56 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 117.258 0.529 . . . . 0.0 110.392 179.446 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' H' H ' 25' ' ' PHE . . . . . 0.499 ' HE1' ' HD1' ' G' ' 19' ' ' TYR . 3.9 p90 -105.58 123.61 48.2 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 178.733 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' H' H ' 26' ' ' TYR . . . . . 0.553 ' OH ' ' HA3' ' H' ' 8' ' ' GLY . 76.5 t80 -115.66 123.1 47.51 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.978 -178.377 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' H' H ' 27' ' ' THR . . . . . . . . . . . . . 5.8 p -126.25 97.53 34.34 Favored Pre-proline 0 C--N 1.316 -0.857 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.768 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 28' ' ' PRO . . . . . 0.783 ' HD2' ' HA2' ' F' ' 23' ' ' GLY . 61.1 Cg_endo -73.3 52.28 2.31 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 123.06 2.506 . . . . 0.0 111.421 179.576 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' H' H ' 29' ' ' LYS . . . . . 0.432 ' C ' ' HG1' ' H' ' 30' ' ' THR . 29.6 tttt -117.75 -31.95 4.98 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 114.793 -1.094 . . . . 0.0 109.348 -178.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' H' H ' 30' ' ' THR . . . . . 0.432 ' HG1' ' C ' ' H' ' 29' ' ' LYS . 8.3 m . . . . . 0 C--O 1.248 1.003 0 CA-C-O 117.936 -1.031 . . . . 0.0 108.382 179.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.378 0 N-CA-C 111.827 -0.509 . . . . 0.0 111.827 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' I' I ' 2' ' ' ILE . . . . . . . . . . . . . 4.4 tt -150.16 -41.05 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 120.851 0.358 . . . . 0.0 111.416 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 3' ' ' VAL . . . . . 0.611 HG22 ' HA ' ' J' ' 28' ' ' PRO . 3.5 t -83.05 -37.97 14.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -178.59 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' I' I ' 4' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -61.35 -44.57 96.95 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.597 0.237 . . . . 0.0 111.101 -178.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 5' ' ' GLN . . . . . 0.496 ' HG3' ' SG ' ' I' ' 11' ' ' CYS . 19.7 pt20 -72.59 -21.66 61.1 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -178.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' I' I ' 6' ' ' CYS . . . . . . . . . . . . . 92.1 m -100.89 -33.57 10.15 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 -177.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 7' ' ' CYS . . . . . 0.501 ' HA ' HG11 ' B' ' 2' ' ' VAL . 49.4 t -76.42 1.25 16.94 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -178.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' I' I ' 8' ' ' THR . . . . . . . . . . . . . 1.4 t -89.86 -64.07 1.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 121.909 -0.495 . . . . 0.0 110.815 179.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 9' ' ' SER . . . . . 0.445 ' O ' ' HB ' ' I' ' 10' ' ' ILE . 16.6 m -140.9 28.91 1.9 Allowed 'General case' 0 C--N 1.328 -0.369 0 O-C-N 122.205 -0.31 . . . . 0.0 111.569 -179.425 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' I' I ' 10' ' ' ILE . . . . . 0.445 ' HB ' ' O ' ' I' ' 9' ' ' SER . 2.5 mp 71.88 144.35 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 CA-C-O 121.162 0.506 . . . . 0.0 111.256 179.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' I' I ' 11' ' ' CYS . . . . . 0.496 ' SG ' ' HG3' ' I' ' 5' ' ' GLN . 87.6 m -101.63 168.48 9.45 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.164 0.507 . . . . 0.0 111.576 -179.282 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' I' I ' 12' ' ' SER . . . . . 0.649 ' HB3' ' HG3' ' I' ' 15' ' ' GLN . 41.7 t -80.46 155.33 27.12 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.519 178.497 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' I' I ' 13' ' ' LEU . . . . . . . . . . . . . 21.8 tp -55.73 -45.7 77.92 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.415 -179.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -65.56 -26.08 67.71 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.992 -0.549 . . . . 0.0 112.25 -178.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 15' ' ' GLN . . . . . 0.649 ' HG3' ' HB3' ' I' ' 12' ' ' SER . 21.4 mt-30 -72.53 -41.02 66.29 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.715 0.293 . . . . 0.0 110.363 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' I' I ' 16' ' ' LEU . . . . . . . . . . . . . 82.8 mt -66.78 -35.1 79.29 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.914 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 17' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -57.07 -25.7 59.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.669 -0.696 . . . . 0.0 112.454 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 18' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -71.48 -15.26 62.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.839 0.352 . . . . 0.0 111.365 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 19' ' ' TYR . . . . . 0.51 ' HD1' ' HE1' ' J' ' 25' ' ' PHE . 60.8 m-85 -106.55 -3.63 20.58 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.949 0.404 . . . . 0.0 110.842 -179.056 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' I' I ' 20' ' ' CYS . . . . . . . . . . . . . 11.8 t -73.8 151.76 40.49 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.079 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 21' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.748 -0.644 . . . . 0.0 110.205 -179.514 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' J' J ' 1' ' ' PHE . . . . . 0.496 ' O ' HG21 ' J' ' 2' ' ' VAL . 7.5 p90 . . . . . 0 N--CA 1.488 1.435 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 2' ' ' VAL . . . . . 0.507 HG22 ' HB2' ' J' ' 6' ' ' LEU . 27.4 m 39.47 -138.21 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 124.119 0.968 . . . . 0.0 113.26 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' J' J ' 3' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -158.21 -171.93 3.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.821 0.344 . . . . 0.0 110.449 -178.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 4' ' ' GLN . . . . . 0.558 ' HG3' HG13 ' I' ' 3' ' ' VAL . 30.8 tt0 -49.51 -34.58 17.59 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 124.375 1.07 . . . . 0.0 111.398 178.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' J' J ' 5' ' ' HIS . . . . . 0.406 ' HE1' ' HA2' ' L' ' 20' ' ' GLY . 56.4 t60 -57.83 -15.87 9.75 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 115.205 -0.907 . . . . 0.0 113.058 -178.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' J' J ' 6' ' ' LEU . . . . . 0.507 ' HB2' HG22 ' J' ' 2' ' ' VAL . 43.7 mt -126.84 -20.73 4.18 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.385 0.612 . . . . 0.0 110.707 179.155 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' J' J ' 7' ' ' CYS . . . . . . . . . . . . . 1.3 t -75.84 -33.31 60.03 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.495 179.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 8' ' ' GLY . . . . . 0.557 ' HA3' ' OH ' ' J' ' 26' ' ' TYR . . . -70.58 -21.81 77.78 Favored Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.937 -0.649 . . . . 0.0 113.89 -179.659 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' J' J ' 9' ' ' SER . . . . . 0.863 ' HB2' ' HG2' ' L' ' 13' ' ' GLU . 19.5 p -66.3 -15.9 63.6 Favored 'General case' 0 C--O 1.225 -0.209 0 CA-C-N 117.294 0.547 . . . . 0.0 110.737 -179.529 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' J' J ' 10' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -106.3 -20.87 13.26 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.806 -179.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 11' ' ' LEU . . . . . . . . . . . . . 73.5 mt -68.07 -37.23 81.01 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 177.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 12' ' ' VAL . . . . . 1.077 HG22 HG22 ' L' ' 12' ' ' VAL . 5.0 m -67.36 -33.49 62.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 115.01 -0.996 . . . . 0.0 111.761 179.535 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' J' J ' 13' ' ' GLU . . . . . 0.879 ' HG2' ' HB2' ' L' ' 9' ' ' SER . 43.9 mt-10 -56.69 -42.09 78.5 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 121.249 0.547 . . . . 0.0 110.234 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' J' J ' 14' ' ' ALA . . . . . 0.663 ' HB3' HD23 ' D' ' 17' ' ' LEU . . . -81.27 -33.37 32.76 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.515 179.003 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' J' J ' 15' ' ' LEU . . . . . 0.602 ' HB2' ' HA ' ' J' ' 12' ' ' VAL . 3.1 mt -55.66 -54.71 40.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.496 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' J' J ' 16' ' ' TYR . . . . . 0.734 ' HB3' ' CE1' ' J' ' 24' ' ' PHE . 6.7 p90 -76.64 -14.47 59.97 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 119.492 -0.883 . . . . 0.0 111.248 -179.289 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' J' J ' 17' ' ' LEU . . . . . 0.684 HD23 ' HB3' ' D' ' 14' ' ' ALA . 34.7 tp -69.54 -35.29 75.3 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 178.115 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 94.3 t -67.34 -45.38 86.01 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.124 0 CA-C-N 114.867 -1.06 . . . . 0.0 109.475 178.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 19' ' ' CYS . . . . . 0.693 ' HB3' ' HB2' ' J' ' 22' ' ' ARG . 85.7 m -67.72 -43.99 78.7 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.911 179.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' J' J ' 20' ' ' GLY . . . . . 0.453 ' HA2' ' HE1' ' L' ' 5' ' ' HIS . . . 69.77 -86.58 0.28 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 121.35 -0.453 . . . . 0.0 112.62 179.372 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' J' J ' 21' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -89.82 -5.89 56.44 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.112 0.482 . . . . 0.0 110.573 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 22' ' ' ARG . . . . . 0.693 ' HB2' ' HB3' ' J' ' 19' ' ' CYS . 19.3 mtt85 -104.48 173.06 6.46 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.903 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' J' J ' 23' ' ' GLY . . . . . 0.802 ' HA2' ' HD2' ' L' ' 28' ' ' PRO . . . -113.28 -159.33 13.56 Favored Glycine 0 N--CA 1.447 -0.587 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 178.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' J' J ' 24' ' ' PHE . . . . . 0.734 ' CE1' ' HB3' ' J' ' 16' ' ' TYR . 8.3 p90 -173.91 158.56 3.21 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 117.221 0.51 . . . . 0.0 110.401 179.545 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' J' J ' 25' ' ' PHE . . . . . 0.51 ' HE1' ' HD1' ' I' ' 19' ' ' TYR . 3.8 p90 -105.42 121.78 44.62 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.363 0.601 . . . . 0.0 109.815 178.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' J' J ' 26' ' ' TYR . . . . . 0.557 ' OH ' ' HA3' ' J' ' 8' ' ' GLY . 76.4 t80 -113.32 124.2 51.92 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.077 -178.633 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' J' J ' 27' ' ' THR . . . . . . . . . . . . . 3.2 p -127.38 97.43 31.25 Favored Pre-proline 0 C--N 1.318 -0.785 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.671 179.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 28' ' ' PRO . . . . . 0.783 ' HD2' ' HA2' ' L' ' 23' ' ' GLY . 60.3 Cg_endo -73.54 53.36 2.65 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 123.049 2.499 . . . . 0.0 111.329 179.649 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' J' J ' 29' ' ' LYS . . . . . . . . . . . . . 30.5 tttt -118.09 -33.11 4.53 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.607 -1.178 . . . . 0.0 109.177 -179.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 30' ' ' THR . . . . . . . . . . . . . 9.2 m . . . . . 0 C--O 1.245 0.846 0 CA-C-O 118.2 -0.905 . . . . 0.0 108.692 179.716 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.297 0 N-CA-C 111.824 -0.51 . . . . 0.0 111.824 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' K' K ' 2' ' ' ILE . . . . . . . . . . . . . 4.3 tt -150.94 -40.82 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 C-N-CA 121.014 -0.274 . . . . 0.0 111.546 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 3' ' ' VAL . . . . . 0.605 HG22 ' HA ' ' L' ' 28' ' ' PRO . 3.2 t -83.12 -38.34 14.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -178.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' K' K ' 4' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -60.48 -44.07 96.3 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.869 0.366 . . . . 0.0 111.334 -179.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 5' ' ' GLN . . . . . 0.487 ' HG3' ' SG ' ' K' ' 11' ' ' CYS . 19.1 pt20 -73.35 -22.7 60.24 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 -179.035 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' K' K ' 6' ' ' CYS . . . . . . . . . . . . . 93.7 m -100.3 -32.9 10.63 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 113.464 0.913 . . . . 0.0 113.464 -177.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 7' ' ' CYS . . . . . 0.496 ' HA ' HG11 ' H' ' 2' ' ' VAL . 49.5 t -76.88 1.79 16.5 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -178.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' K' K ' 8' ' ' THR . . . . . . . . . . . . . 1.7 t -90.15 -65.18 1.04 Allowed 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.355 -0.538 . . . . 0.0 110.578 179.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 9' ' ' SER . . . . . 0.412 ' O ' ' HB ' ' K' ' 10' ' ' ILE . 24.3 m -140.19 30.7 1.97 Allowed 'General case' 0 C--N 1.328 -0.341 0 O-C-N 122.178 -0.326 . . . . 0.0 111.606 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' K' K ' 10' ' ' ILE . . . . . 0.421 HD13 ' HB ' ' H' ' 2' ' ' VAL . 2.5 mp 70.97 144.47 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 CA-C-O 121.431 0.634 . . . . 0.0 111.474 179.441 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' K' K ' 11' ' ' CYS . . . . . 0.487 ' SG ' ' HG3' ' K' ' 5' ' ' GLN . 89.1 m -101.66 168.14 9.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.198 0.523 . . . . 0.0 111.793 -179.458 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' K' K ' 12' ' ' SER . . . . . 0.629 ' HB3' ' HG3' ' K' ' 15' ' ' GLN . 29.1 t -80.36 154.72 27.57 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.626 -0.716 . . . . 0.0 109.485 178.551 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' K' K ' 13' ' ' LEU . . . . . . . . . . . . . 21.2 tp -55.3 -45.82 76.26 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.419 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -65.47 -25.86 67.68 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.143 -178.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 15' ' ' GLN . . . . . 0.629 ' HG3' ' HB3' ' K' ' 12' ' ' SER . 21.8 mt-30 -73.14 -40.16 65.1 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.649 0.261 . . . . 0.0 110.377 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' K' K ' 16' ' ' LEU . . . . . . . . . . . . . 80.7 mt -67.67 -35.0 78.05 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.082 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 17' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -57.54 -24.44 56.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.699 -0.682 . . . . 0.0 112.239 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 18' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -71.65 -15.89 62.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.825 0.345 . . . . 0.0 111.152 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 19' ' ' TYR . . . . . 0.513 ' HD1' ' HE1' ' L' ' 25' ' ' PHE . 58.0 m-85 -106.31 -3.23 21.4 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.982 -179.071 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' K' K ' 20' ' ' CYS . . . . . . . . . . . . . 11.6 t -74.26 149.16 40.9 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.206 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 21' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 . . . . . 0 C--O 1.25 1.126 0 CA-C-O 118.679 -0.677 . . . . 0.0 110.105 -179.463 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' L' L ' 1' ' ' PHE . . . . . 0.49 ' O ' HG21 ' L' ' 2' ' ' VAL . 6.6 p90 . . . . . 0 N--CA 1.485 1.289 0 N-CA-C 111.814 0.301 . . . . 0.0 111.814 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 2' ' ' VAL . . . . . 0.526 HG22 ' HB2' ' L' ' 6' ' ' LEU . 27.3 m 39.08 -137.17 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 124.274 1.029 . . . . 0.0 113.345 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' L' L ' 3' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -159.16 -172.34 3.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.741 0.305 . . . . 0.0 110.393 -178.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 4' ' ' GLN . . . . . 0.571 ' HG3' HG13 ' K' ' 3' ' ' VAL . 30.8 tt0 -49.43 -33.94 15.33 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 124.301 1.04 . . . . 0.0 111.49 179.041 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' L' L ' 5' ' ' HIS . . . . . 0.453 ' HE1' ' HA2' ' J' ' 20' ' ' GLY . 56.8 t60 -58.55 -15.52 11.66 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 115.342 -0.844 . . . . 0.0 112.998 -178.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' L' L ' 6' ' ' LEU . . . . . 0.526 ' HB2' HG22 ' L' ' 2' ' ' VAL . 42.5 mt -126.8 -21.34 4.07 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.364 0.602 . . . . 0.0 110.818 179.18 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' L' L ' 7' ' ' CYS . . . . . 0.418 ' SG ' HG12 ' H' ' 2' ' ' VAL . 1.4 t -75.4 -33.43 60.98 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.585 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' L' L ' 8' ' ' GLY . . . . . 0.559 ' HA3' ' OH ' ' L' ' 26' ' ' TYR . . . -70.14 -22.77 77.43 Favored Glycine 0 N--CA 1.447 -0.584 0 CA-C-N 115.716 -0.675 . . . . 0.0 113.729 -179.709 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' L' L ' 9' ' ' SER . . . . . 0.879 ' HB2' ' HG2' ' J' ' 13' ' ' GLU . 19.9 p -65.79 -16.0 63.4 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 117.297 0.548 . . . . 0.0 110.752 -179.552 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' L' L ' 10' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -106.1 -20.96 13.25 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.752 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 11' ' ' LEU . . . . . . . . . . . . . 72.6 mt -68.06 -37.46 81.31 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 177.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 12' ' ' VAL . . . . . 1.077 HG22 HG22 ' J' ' 12' ' ' VAL . 4.8 m -67.21 -33.27 61.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 115.074 -0.966 . . . . 0.0 111.848 179.599 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' L' L ' 13' ' ' GLU . . . . . 0.863 ' HG2' ' HB2' ' J' ' 9' ' ' SER . 43.2 mt-10 -56.71 -42.07 78.5 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-O 121.315 0.579 . . . . 0.0 110.185 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' L' L ' 14' ' ' ALA . . . . . 0.665 ' HB3' HD23 ' F' ' 17' ' ' LEU . . . -81.35 -33.49 32.38 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.61 178.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' L' L ' 15' ' ' LEU . . . . . 0.612 ' HB2' ' HA ' ' L' ' 12' ' ' VAL . 3.0 mt -55.39 -54.67 40.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.491 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' L' L ' 16' ' ' TYR . . . . . 0.744 ' HB3' ' CE1' ' L' ' 24' ' ' PHE . 6.6 p90 -76.96 -14.55 59.84 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 119.721 -0.792 . . . . 0.0 111.152 -179.311 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' L' L ' 17' ' ' LEU . . . . . 0.658 HD23 ' HB3' ' F' ' 14' ' ' ALA . 32.7 tp -69.65 -34.59 74.23 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 177.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 94.4 t -67.91 -45.2 84.39 Favored 'Isoleucine or valine' 0 C--O 1.231 0.12 0 CA-C-N 115.111 -0.95 . . . . 0.0 109.53 178.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 19' ' ' CYS . . . . . 0.679 ' HB3' ' HB2' ' L' ' 22' ' ' ARG . 89.3 m -68.38 -42.33 79.28 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.069 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' L' L ' 20' ' ' GLY . . . . . 0.406 ' HA2' ' HE1' ' J' ' 5' ' ' HIS . . . 67.72 -86.21 0.16 Allowed Glycine 0 N--CA 1.451 -0.314 0 CA-C-N 116.262 -0.426 . . . . 0.0 113.004 179.422 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' L' L ' 21' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -88.89 -7.46 56.06 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.638 0.256 . . . . 0.0 110.687 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 22' ' ' ARG . . . . . 0.679 ' HB2' ' HB3' ' L' ' 19' ' ' CYS . 19.6 mtt85 -103.55 173.72 6.18 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.167 -179.71 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' L' L ' 23' ' ' GLY . . . . . 0.783 ' HA2' ' HD2' ' J' ' 28' ' ' PRO . . . -113.83 -159.25 13.11 Favored Glycine 0 N--CA 1.449 -0.498 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 178.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' L' L ' 24' ' ' PHE . . . . . 0.744 ' CE1' ' HB3' ' L' ' 16' ' ' TYR . 8.9 p90 -173.68 158.78 3.4 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 117.145 0.472 . . . . 0.0 110.485 179.438 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' L' L ' 25' ' ' PHE . . . . . 0.513 ' HE1' ' HD1' ' K' ' 19' ' ' TYR . 3.8 p90 -104.99 123.9 48.59 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 178.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' L' L ' 26' ' ' TYR . . . . . 0.559 ' OH ' ' HA3' ' L' ' 8' ' ' GLY . 77.9 t80 -115.72 123.44 48.29 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.998 -178.511 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' L' L ' 27' ' ' THR . . . . . . . . . . . . . 5.5 p -126.59 97.41 33.62 Favored Pre-proline 0 C--N 1.317 -0.834 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.812 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 28' ' ' PRO . . . . . 0.802 ' HD2' ' HA2' ' J' ' 23' ' ' GLY . 61.6 Cg_endo -73.6 52.69 2.53 Favored 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 122.978 2.452 . . . . 0.0 111.435 179.629 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' L' L ' 29' ' ' LYS . . . . . . . . . . . . . 29.3 tttt . . . . . 0 C--N 1.32 -0.705 0 CA-C-N 114.621 -1.172 . . . . 0.0 109.265 -179.208 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.23 0 N-CA-C 111.475 -0.65 . . . . 0.0 111.475 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.409 HG21 ' H ' ' A' ' 3' ' ' VAL . 7.9 tt 177.61 -40.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.414 0.626 . . . . 0.0 110.524 179.545 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.598 HG23 ' HG3' ' B' ' 4' ' ' GLN . 97.3 t -59.92 -34.21 55.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.303 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.456 ' H ' ' CD ' ' A' ' 4' ' ' GLU . 2.5 mp0 -57.63 -22.99 48.76 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 113.072 0.768 . . . . 0.0 113.072 -179.041 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.454 ' HG3' ' SG ' ' A' ' 11' ' ' CYS . 14.5 pt20 -124.93 -38.23 2.37 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -178.721 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 78.7 m -78.89 -25.54 43.84 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.052 0.389 . . . . 0.0 112.052 -178.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.612 ' HB2' HD12 ' B' ' 11' ' ' LEU . 41.0 t -98.04 -6.47 31.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.955 0.407 . . . . 0.0 111.297 -179.698 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.7 p -90.97 -61.36 1.69 Allowed 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.117 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.473 ' O ' ' HB ' ' A' ' 10' ' ' ILE . 13.3 p -130.06 15.39 5.71 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -179.488 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.677 HD13 ' HB ' ' F' ' 2' ' ' VAL . 2.2 mp 73.5 136.03 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-O 121.46 0.647 . . . . 0.0 111.402 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.454 ' SG ' ' HG3' ' A' ' 5' ' ' GLN . 91.2 m -91.79 158.81 16.14 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.793 179.407 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 26.1 t -74.99 166.45 23.64 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.179 179.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.443 ' HG ' HG12 ' B' ' 18' ' ' VAL . 10.2 tt -57.98 -60.41 3.76 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.311 -179.246 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -65.38 -19.43 65.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.017 0.437 . . . . 0.0 110.978 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -75.31 -31.45 60.65 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.252 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.427 HD22 ' HB2' ' A' ' 11' ' ' CYS . 84.2 mt -71.74 -29.69 64.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.134 0.492 . . . . 0.0 110.045 178.785 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -63.76 -15.95 59.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.436 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -69.39 -18.5 63.77 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.196 0.522 . . . . 0.0 110.292 178.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 55.3 m-85 -104.44 -2.79 24.87 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.145 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.415 ' HA ' ' CB ' ' B' ' 24' ' ' PHE . 3.7 t -88.33 -176.33 5.32 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.613 179.642 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.6 m120 . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.459 -0.781 . . . . 0.0 110.813 179.768 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . 0.606 ' O ' HG21 ' B' ' 2' ' ' VAL . 49.2 t80 . . . . . 0 N--CA 1.483 1.192 0 N-CA-C 110.549 -0.167 . . . . 0.0 110.549 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . 0.663 ' HB ' HD13 ' I' ' 10' ' ' ILE . 11.5 m 47.97 -159.16 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 C-N-CA 124.587 1.155 . . . . 0.0 112.677 -179.352 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . 0.5 ' CG ' ' H ' ' B' ' 4' ' ' GLN . 43.3 t30 -150.33 -167.58 2.86 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.955 0.407 . . . . 0.0 111.079 -178.161 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . 0.598 ' HG3' HG23 ' A' ' 3' ' ' VAL . 29.0 tt0 -49.1 -35.91 17.45 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 124.019 0.928 . . . . 0.0 112.297 179.612 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 55.4 t60 -59.0 -18.29 32.89 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -178.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 25.2 mt -120.07 -20.22 7.51 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.142 0.496 . . . . 0.0 110.802 179.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . 0.452 ' O ' ' HG ' ' B' ' 11' ' ' LEU . 36.6 t -75.88 -44.3 41.28 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.568 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . 0.469 ' HA2' ' HG ' ' B' ' 11' ' ' LEU . . . -61.24 -27.24 67.2 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 121.168 -0.539 . . . . 0.0 112.798 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' SER . . . . . 0.415 ' O ' ' HG2' ' D' ' 13' ' ' GLU . 7.1 m -57.67 -27.23 62.68 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 122.96 0.504 . . . . 0.0 111.209 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . 0.6 ' HA ' ' HG3' ' B' ' 13' ' ' GLU . 95.1 m-70 -104.63 -12.08 16.59 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.454 -178.596 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.612 HD12 ' HB2' ' A' ' 7' ' ' CYS . 47.3 mt -74.32 -38.18 63.37 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 177.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 1.016 HG22 HG22 ' D' ' 12' ' ' VAL . 0.7 OUTLIER -67.78 -30.3 48.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.082 -0.963 . . . . 0.0 111.941 179.723 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.6 ' HG3' ' HA ' ' B' ' 10' ' ' HIS . 25.7 mt-10 -57.39 -54.99 40.57 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 121.079 0.466 . . . . 0.0 109.831 179.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.16 -32.9 72.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.905 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.537 ' HB2' ' HA ' ' B' ' 12' ' ' VAL . 2.5 mt -52.78 -62.68 1.49 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.047 -0.524 . . . . 0.0 112.013 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . 0.716 ' HB3' ' CE1' ' B' ' 24' ' ' PHE . 3.2 p90 -76.67 -16.37 59.55 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 119.813 -0.755 . . . . 0.0 111.166 -179.094 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.481 ' HB2' ' O ' ' B' ' 13' ' ' GLU . 7.9 tt -68.36 -40.29 81.54 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 178.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . 0.443 HG12 ' HG ' ' A' ' 13' ' ' LEU . 52.2 t -67.67 -43.78 86.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.692 178.481 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . 0.986 ' HB3' ' HB3' ' B' ' 22' ' ' ARG . 73.6 m -67.66 -37.84 82.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.273 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.53 -108.03 2.59 Favored Glycine 0 N--CA 1.451 -0.336 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -179.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.513 ' O ' ' HD2' ' D' ' 29' ' ' LYS . 56.0 mt-10 -96.85 51.8 1.15 Allowed 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 178.134 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . 0.986 ' HB3' ' HB3' ' B' ' 19' ' ' CYS . 74.7 ttt180 -140.96 131.02 24.66 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.799 -1.091 . . . . 0.0 109.181 -178.576 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . 0.526 ' HA2' ' HD2' ' D' ' 28' ' ' PRO . . . -83.36 170.86 49.34 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.673 -0.775 . . . . 0.0 113.477 -178.487 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . 0.716 ' CE1' ' HB3' ' B' ' 16' ' ' TYR . 11.2 p90 -154.43 170.72 20.71 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-O 121.124 0.488 . . . . 0.0 110.295 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -116.66 132.59 56.65 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -129.96 119.16 22.77 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.122 0.487 . . . . 0.0 110.997 -179.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 9.3 p -123.1 101.85 38.03 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.39 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . 0.549 ' HD2' ' HA2' ' D' ' 23' ' ' GLY . 90.4 Cg_endo -78.84 50.72 3.55 Favored 'Trans proline' 0 C--O 1.234 0.281 0 C-N-CA 122.527 2.151 . . . . 0.0 111.743 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.493 ' HD2' ' O ' ' D' ' 21' ' ' GLU . 63.2 tttm -153.01 92.55 1.64 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.388 -179.497 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 5.2 m . . . . . 0 C--O 1.25 1.117 0 CA-C-O 118.105 -0.95 . . . . 0.0 110.234 -178.848 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.656 0 N-CA-C 112.56 -0.216 . . . . 0.0 112.56 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 2' ' ' ILE . . . . . 0.455 HG21 ' H ' ' C' ' 3' ' ' VAL . 7.9 tt 179.82 -40.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 121.161 0.505 . . . . 0.0 110.174 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 3' ' ' VAL . . . . . 0.594 HG23 ' HG3' ' D' ' 4' ' ' GLN . 96.5 t -59.76 -33.41 52.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.366 -179.626 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 4' ' ' GLU . . . . . 0.422 ' H ' ' CD ' ' C' ' 4' ' ' GLU . 2.3 mp0 -57.76 -24.83 58.99 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.772 -178.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 5' ' ' GLN . . . . . 0.46 ' HG3' ' SG ' ' C' ' 11' ' ' CYS . 14.2 pt20 -123.33 -38.04 2.61 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 -179.055 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 76.5 m -78.59 -25.29 45.21 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -178.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 7' ' ' CYS . . . . . 0.629 ' HB2' HD12 ' D' ' 11' ' ' LEU . 41.1 t -98.19 -6.18 31.86 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.199 -179.719 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 2.8 p -91.26 -61.15 1.72 Allowed 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.726 -0.39 . . . . 0.0 111.232 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 9' ' ' SER . . . . . 0.485 ' O ' ' HB ' ' C' ' 10' ' ' ILE . 15.3 p -130.39 16.02 5.5 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -179.495 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . 0.685 HD13 ' HB ' ' L' ' 2' ' ' VAL . 2.2 mp 73.15 136.71 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-O 121.413 0.625 . . . . 0.0 111.504 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 11' ' ' CYS . . . . . 0.472 ' N ' HG21 ' C' ' 10' ' ' ILE . 95.3 m -92.42 158.5 16.02 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.693 179.286 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 25.1 t -74.92 166.98 22.78 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.128 179.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 13' ' ' LEU . . . . . 0.425 ' HG ' HG12 ' D' ' 18' ' ' VAL . 10.3 tt -58.21 -60.15 4.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.337 -179.189 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -65.68 -19.72 66.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.195 0.521 . . . . 0.0 110.901 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -74.88 -32.02 61.75 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.245 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 16' ' ' LEU . . . . . 0.432 HD22 ' HB2' ' C' ' 11' ' ' CYS . 79.9 mt -70.94 -29.55 65.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.174 178.712 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -63.88 -15.99 60.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.548 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -68.99 -19.03 64.14 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 121.143 0.497 . . . . 0.0 110.442 178.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -104.01 -2.44 26.03 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.072 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 20' ' ' CYS . . . . . 0.403 ' HA ' ' CB ' ' D' ' 24' ' ' PHE . 3.9 t -89.3 -178.5 5.64 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.157 -0.929 . . . . 0.0 109.663 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 3.5 m120 . . . . . 0 C--O 1.251 1.165 0 CA-C-O 118.443 -0.789 . . . . 0.0 110.523 179.828 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' D' D ' 1' ' ' PHE . . . . . 0.601 ' O ' HG21 ' D' ' 2' ' ' VAL . 48.6 t80 . . . . . 0 N--CA 1.485 1.275 0 CA-C-O 120.572 0.225 . . . . 0.0 110.727 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 2' ' ' VAL . . . . . 0.674 ' HB ' HD13 ' G' ' 10' ' ' ILE . 11.9 m 47.0 -158.88 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 124.562 1.145 . . . . 0.0 112.723 -179.543 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 3' ' ' ASN . . . . . 0.488 ' CG ' ' H ' ' D' ' 4' ' ' GLN . 39.4 t30 -150.14 -167.64 2.88 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.902 0.382 . . . . 0.0 111.192 -178.279 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 4' ' ' GLN . . . . . 0.594 ' HG3' HG23 ' C' ' 3' ' ' VAL . 30.0 tt0 -48.95 -36.68 17.99 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 123.983 0.913 . . . . 0.0 112.167 179.707 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 5' ' ' HIS . . . . . 0.424 ' NE2' ' HG ' ' B' ' 17' ' ' LEU . 57.5 t60 -58.27 -18.42 26.69 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 112.751 0.649 . . . . 0.0 112.751 -178.685 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 25.1 mt -119.8 -20.41 7.61 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.368 0.604 . . . . 0.0 110.814 179.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 7' ' ' CYS . . . . . 0.451 ' O ' ' HG ' ' D' ' 11' ' ' LEU . 36.7 t -75.67 -44.41 42.47 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.59 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 8' ' ' GLY . . . . . 0.471 ' HA2' ' HG ' ' D' ' 11' ' ' LEU . . . -61.46 -26.7 66.75 Favored Glycine 0 C--N 1.332 0.307 0 C-N-CA 121.277 -0.487 . . . . 0.0 112.697 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 9' ' ' SER . . . . . 0.435 ' O ' ' HG2' ' B' ' 13' ' ' GLU . 5.6 m -58.1 -27.07 63.37 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.08 0.467 . . . . 0.0 111.29 -179.753 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 10' ' ' HIS . . . . . 0.625 ' HA ' ' HG3' ' D' ' 13' ' ' GLU . 94.7 m-70 -104.83 -12.06 16.47 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.463 -178.535 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 11' ' ' LEU . . . . . 0.629 HD12 ' HB2' ' C' ' 7' ' ' CYS . 48.2 mt -74.23 -38.45 63.52 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 177.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 12' ' ' VAL . . . . . 1.016 HG22 HG22 ' B' ' 12' ' ' VAL . 0.7 OUTLIER -67.49 -30.26 48.3 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-N 115.124 -0.944 . . . . 0.0 112.025 179.643 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' D' D ' 13' ' ' GLU . . . . . 0.625 ' HG3' ' HA ' ' D' ' 10' ' ' HIS . 25.2 mt-10 -57.27 -55.14 38.66 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.2 -32.63 72.04 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.93 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 15' ' ' LEU . . . . . 0.539 ' HB2' ' HA ' ' D' ' 12' ' ' VAL . 2.6 mt -52.93 -63.25 1.21 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.9 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 16' ' ' TYR . . . . . 0.717 ' HB3' ' CE1' ' D' ' 24' ' ' PHE . 3.2 p90 -76.03 -16.26 59.98 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.026 -0.669 . . . . 0.0 111.153 -178.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . 0.48 ' HB2' ' O ' ' D' ' 13' ' ' GLU . 8.1 tt -68.71 -40.87 79.78 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 178.79 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . 0.425 HG12 ' HG ' ' C' ' 13' ' ' LEU . 52.8 t -66.94 -44.36 88.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.353 -0.839 . . . . 0.0 109.661 178.229 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 19' ' ' CYS . . . . . 0.974 ' HB3' ' HB3' ' D' ' 22' ' ' ARG . 75.1 m -67.32 -37.94 84.13 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.434 179.777 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.51 -107.75 2.53 Favored Glycine 0 N--CA 1.451 -0.364 0 N-CA-C 111.452 -0.659 . . . . 0.0 111.452 -179.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 21' ' ' GLU . . . . . 0.493 ' O ' ' HD2' ' B' ' 29' ' ' LYS . 52.4 mt-10 -96.94 51.43 1.13 Allowed 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 178.213 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 22' ' ' ARG . . . . . 0.974 ' HB3' ' HB3' ' D' ' 19' ' ' CYS . 74.5 ttt180 -140.41 132.66 28.19 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 114.825 -1.08 . . . . 0.0 109.006 -178.544 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 23' ' ' GLY . . . . . 0.549 ' HA2' ' HD2' ' B' ' 28' ' ' PRO . . . -84.44 170.56 46.7 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.803 -0.713 . . . . 0.0 113.396 -178.662 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 24' ' ' PHE . . . . . 0.717 ' CE1' ' HB3' ' D' ' 16' ' ' TYR . 10.9 p90 -154.4 170.8 20.49 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-O 121.166 0.508 . . . . 0.0 110.505 179.728 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 25' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -116.7 132.19 56.75 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.292 179.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 26' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -129.51 119.31 23.5 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.211 0.529 . . . . 0.0 110.998 -179.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 27' ' ' THR . . . . . . . . . . . . . 6.7 p -123.53 101.78 36.74 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.344 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 28' ' ' PRO . . . . . 0.526 ' HD2' ' HA2' ' B' ' 23' ' ' GLY . 95.6 Cg_endo -79.47 51.58 3.94 Favored 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 122.76 2.307 . . . . 0.0 111.686 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 29' ' ' LYS . . . . . 0.513 ' HD2' ' O ' ' B' ' 21' ' ' GLU . 63.0 tttm -154.08 90.09 1.34 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.853 -179.364 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 16.0 m . . . . . 0 C--O 1.252 1.186 0 CA-C-O 118.167 -0.921 . . . . 0.0 110.162 -179.074 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.556 0 CA-C-O 121.104 0.28 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' E' E ' 2' ' ' ILE . . . . . 0.432 HG21 ' H ' ' E' ' 3' ' ' VAL . 7.6 tt -178.1 -39.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.15 0.5 . . . . 0.0 110.246 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 3' ' ' VAL . . . . . 0.57 HG23 ' HG3' ' F' ' 4' ' ' GLN . 91.7 t -59.84 -33.47 52.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.487 -0.778 . . . . 0.0 111.5 -179.484 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 4' ' ' GLU . . . . . 0.424 ' H ' ' CD ' ' E' ' 4' ' ' GLU . 2.4 mp0 -58.39 -23.15 56.25 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -178.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 5' ' ' GLN . . . . . 0.462 ' HG3' ' SG ' ' E' ' 11' ' ' CYS . 14.6 pt20 -124.28 -38.64 2.41 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -179.056 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 6' ' ' CYS . . . . . . . . . . . . . 79.4 m -78.63 -25.04 44.99 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -178.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 7' ' ' CYS . . . . . 0.585 ' HB2' HD12 ' F' ' 11' ' ' LEU . 41.5 t -98.02 -6.86 31.04 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.998 0.428 . . . . 0.0 111.375 -179.787 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 2.7 p -90.71 -62.33 1.48 Allowed 'General case' 0 C--N 1.323 -0.554 0 O-C-N 122.158 -0.339 . . . . 0.0 111.114 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 9' ' ' SER . . . . . 0.458 ' O ' ' HB ' ' E' ' 10' ' ' ILE . 17.5 p -129.37 16.85 6.01 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -179.534 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 10' ' ' ILE . . . . . 0.689 HD13 ' HB ' ' J' ' 2' ' ' VAL . 2.2 mp 72.46 138.22 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 CA-C-O 121.449 0.642 . . . . 0.0 111.485 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 11' ' ' CYS . . . . . 0.481 ' N ' HG21 ' E' ' 10' ' ' ILE . 89.3 m -93.89 158.45 15.64 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.73 179.35 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 12' ' ' SER . . . . . . . . . . . . . 22.8 t -74.77 166.18 24.03 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.14 179.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 13' ' ' LEU . . . . . 0.452 ' HG ' HG12 ' F' ' 18' ' ' VAL . 10.2 tt -57.29 -60.6 3.38 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.456 -179.077 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -65.02 -20.24 66.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.294 0.568 . . . . 0.0 110.88 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -74.42 -32.19 62.57 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.286 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 16' ' ' LEU . . . . . 0.428 HD22 ' HB2' ' E' ' 11' ' ' CYS . 82.7 mt -71.16 -29.75 65.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.165 178.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 17' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -63.67 -17.65 63.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.411 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 18' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -67.11 -20.56 65.8 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.125 0.488 . . . . 0.0 110.493 178.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 19' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -102.79 -0.67 31.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.409 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 20' ' ' CYS . . . . . 0.407 ' HA ' ' CB ' ' F' ' 24' ' ' PHE . 3.9 t -90.56 -177.12 4.96 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.544 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 21' ' ' ASN . . . . . . . . . . . . . 3.2 m120 . . . . . 0 C--O 1.245 0.854 0 CA-C-O 118.67 -0.681 . . . . 0.0 110.397 179.603 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' F' F ' 1' ' ' PHE . . . . . 0.592 ' O ' HG21 ' F' ' 2' ' ' VAL . 47.2 t80 . . . . . 0 N--CA 1.48 1.066 0 CA-C-O 120.46 0.171 . . . . 0.0 110.813 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 2' ' ' VAL . . . . . 0.677 ' HB ' HD13 ' A' ' 10' ' ' ILE . 10.9 m 47.88 -158.55 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 124.716 1.206 . . . . 0.0 112.679 -179.42 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 3' ' ' ASN . . . . . 0.458 ' CG ' ' H ' ' F' ' 4' ' ' GLN . 36.0 t30 -151.38 -167.9 2.93 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.848 0.356 . . . . 0.0 111.047 -178.092 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 4' ' ' GLN . . . . . 0.57 ' HG3' HG23 ' E' ' 3' ' ' VAL . 29.4 tt0 -48.28 -37.21 15.75 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 124.07 0.948 . . . . 0.0 112.252 179.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 5' ' ' HIS . . . . . 0.408 ' NE2' ' HG ' ' H' ' 17' ' ' LEU . 55.3 t60 -57.85 -18.98 25.73 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -178.648 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 6' ' ' LEU . . . . . . . . . . . . . 26.2 mt -119.43 -19.75 8.09 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.266 0.555 . . . . 0.0 110.964 179.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 7' ' ' CYS . . . . . 0.443 ' O ' ' HG ' ' F' ' 11' ' ' LEU . 35.7 t -76.12 -44.66 37.5 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.667 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 8' ' ' GLY . . . . . 0.47 ' HA2' ' HG ' ' F' ' 11' ' ' LEU . . . -60.99 -26.88 66.21 Favored Glycine 0 N--CA 1.453 -0.216 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.676 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 9' ' ' SER . . . . . 0.427 ' O ' ' HG2' ' H' ' 13' ' ' GLU . 6.8 m -57.85 -27.45 63.24 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 123.047 0.539 . . . . 0.0 111.124 -179.644 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 10' ' ' HIS . . . . . 0.607 ' HA ' ' HG3' ' F' ' 13' ' ' GLU . 94.9 m-70 -104.53 -12.2 16.6 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.538 -178.598 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 11' ' ' LEU . . . . . 0.585 HD12 ' HB2' ' E' ' 7' ' ' CYS . 46.2 mt -74.29 -38.16 63.45 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 177.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 12' ' ' VAL . . . . . 1.004 HG22 HG22 ' H' ' 12' ' ' VAL . 0.8 OUTLIER -67.76 -30.24 47.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.257 -0.883 . . . . 0.0 112.14 179.694 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' F' F ' 13' ' ' GLU . . . . . 0.607 ' HG3' ' HA ' ' F' ' 10' ' ' HIS . 25.5 mt-10 -57.35 -55.26 37.11 Favored 'General case' 0 CA--C 1.519 -0.232 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.19 -32.39 71.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.1 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 15' ' ' LEU . . . . . 0.54 ' HB2' ' HA ' ' F' ' 12' ' ' VAL . 2.2 mt -52.93 -62.9 1.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.944 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 16' ' ' TYR . . . . . 0.719 ' HB3' ' CE1' ' F' ' 24' ' ' PHE . 3.2 p90 -76.18 -16.82 59.78 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.048 -0.661 . . . . 0.0 111.019 -179.235 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 17' ' ' LEU . . . . . 0.476 ' HB2' ' O ' ' F' ' 13' ' ' GLU . 8.2 tt -68.42 -39.38 81.6 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 178.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . 0.452 HG12 ' HG ' ' E' ' 13' ' ' LEU . 54.2 t -68.63 -42.87 83.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.496 -0.774 . . . . 0.0 109.755 178.274 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 19' ' ' CYS . . . . . 0.95 ' HB3' ' HB3' ' F' ' 22' ' ' ARG . 73.4 m -68.74 -36.86 78.94 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.578 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.81 -108.47 2.62 Favored Glycine 0 N--CA 1.45 -0.407 0 N-CA-C 111.383 -0.687 . . . . 0.0 111.383 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 21' ' ' GLU . . . . . 0.494 ' O ' ' HD2' ' H' ' 29' ' ' LYS . 55.8 mt-10 -96.24 51.37 1.21 Allowed 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 178.047 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 22' ' ' ARG . . . . . 0.95 ' HB3' ' HB3' ' F' ' 19' ' ' CYS . 74.2 ttt180 -140.27 131.44 26.47 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.892 -1.049 . . . . 0.0 109.13 -178.619 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 23' ' ' GLY . . . . . 0.536 ' HA2' ' HD2' ' H' ' 28' ' ' PRO . . . -83.01 170.99 50.24 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.872 -0.68 . . . . 0.0 113.335 -178.721 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 24' ' ' PHE . . . . . 0.719 ' CE1' ' HB3' ' F' ' 16' ' ' TYR . 11.1 p90 -155.15 170.21 22.34 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-O 121.037 0.446 . . . . 0.0 110.183 179.715 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 25' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -116.33 132.03 56.78 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.208 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 26' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -129.0 119.85 24.99 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.183 0.516 . . . . 0.0 110.916 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 27' ' ' THR . . . . . . . . . . . . . 7.6 p -123.96 101.74 35.39 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.54 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 28' ' ' PRO . . . . . 0.545 ' HD2' ' HA2' ' H' ' 23' ' ' GLY . 88.5 Cg_endo -79.3 52.39 4.26 Favored 'Trans proline' 0 C--O 1.234 0.31 0 C-N-CA 122.785 2.323 . . . . 0.0 111.68 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 29' ' ' LYS . . . . . 0.523 ' HD2' ' O ' ' H' ' 21' ' ' GLU . 62.2 tttm -155.07 91.5 1.36 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.527 -179.485 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 30' ' ' THR . . . . . . . . . . . . . 5.5 m . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.165 -0.921 . . . . 0.0 110.264 -179.011 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' G' G ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.734 0 N-CA-C 112.615 -0.194 . . . . 0.0 112.615 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' G' G ' 2' ' ' ILE . . . . . 0.421 HG21 ' H ' ' G' ' 3' ' ' VAL . 7.6 tt -179.94 -39.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.401 0.619 . . . . 0.0 110.276 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 3' ' ' VAL . . . . . 0.593 HG23 ' HG3' ' H' ' 4' ' ' GLN . 98.6 t -60.11 -33.61 53.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.479 -179.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 4' ' ' GLU . . . . . 0.424 ' H ' ' CD ' ' G' ' 4' ' ' GLU . 2.3 mp0 -58.25 -23.21 55.24 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.97 0.73 . . . . 0.0 112.97 -178.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 5' ' ' GLN . . . . . 0.459 ' HG3' ' SG ' ' G' ' 11' ' ' CYS . 14.7 pt20 -124.38 -38.97 2.37 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -179.227 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 6' ' ' CYS . . . . . . . . . . . . . 82.5 m -78.17 -24.19 47.36 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -178.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 7' ' ' CYS . . . . . 0.598 ' HB2' HD12 ' H' ' 11' ' ' LEU . 41.6 t -99.36 -6.36 27.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.069 0.461 . . . . 0.0 111.309 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 8' ' ' THR . . . . . . . . . . . . . 2.0 p -90.65 -62.32 1.48 Allowed 'General case' 0 C--N 1.323 -0.564 0 O-C-N 122.09 -0.381 . . . . 0.0 110.996 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 9' ' ' SER . . . . . 0.489 ' O ' ' HB ' ' G' ' 10' ' ' ILE . 17.0 p -129.49 15.22 6.04 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -179.478 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 10' ' ' ILE . . . . . 0.674 HD13 ' HB ' ' D' ' 2' ' ' VAL . 2.2 mp 74.34 136.96 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 CA-C-O 121.483 0.658 . . . . 0.0 111.524 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 11' ' ' CYS . . . . . 0.459 ' SG ' ' HG3' ' G' ' 5' ' ' GLN . 92.1 m -92.43 159.81 15.37 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.647 179.343 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 12' ' ' SER . . . . . . . . . . . . . 22.8 t -76.12 167.84 21.13 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.286 -0.415 . . . . 0.0 109.966 179.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 13' ' ' LEU . . . . . 0.444 ' HG ' HG12 ' H' ' 18' ' ' VAL . 10.3 tt -58.98 -60.37 3.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.436 -179.113 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 3.4 p90 -64.8 -20.75 66.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.133 0.492 . . . . 0.0 110.769 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -73.77 -32.78 63.96 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.331 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 16' ' ' LEU . . . . . 0.412 HD22 ' HB2' ' G' ' 11' ' ' CYS . 82.4 mt -70.73 -29.72 66.05 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.211 178.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 17' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -63.61 -16.58 61.27 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.514 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 18' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -68.56 -18.35 64.32 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.083 0.468 . . . . 0.0 110.514 178.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 19' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -104.87 -1.19 26.3 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.979 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 20' ' ' CYS . . . . . 0.404 ' HA ' ' CB ' ' H' ' 24' ' ' PHE . 3.7 t -90.59 -178.79 5.39 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.475 179.674 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 21' ' ' ASN . . . . . . . . . . . . . 3.4 m120 . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.577 -0.725 . . . . 0.0 110.548 179.824 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' H' H ' 1' ' ' PHE . . . . . 0.605 ' O ' HG21 ' H' ' 2' ' ' VAL . 48.0 t80 . . . . . 0 N--CA 1.482 1.147 0 CA-C-O 120.561 0.219 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 2' ' ' VAL . . . . . 0.659 ' HB ' HD13 ' K' ' 10' ' ' ILE . 11.4 m 47.99 -159.09 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 124.548 1.139 . . . . 0.0 112.7 -179.461 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' H' H ' 3' ' ' ASN . . . . . 0.495 ' CG ' ' H ' ' H' ' 4' ' ' GLN . 37.3 t30 -150.51 -167.7 2.89 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.904 -0.318 . . . . 0.0 111.278 -178.204 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' H' H ' 4' ' ' GLN . . . . . 0.593 ' HG3' HG23 ' G' ' 3' ' ' VAL . 28.7 tt0 -48.58 -36.77 16.3 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 124.0 0.92 . . . . 0.0 112.134 179.641 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' H' H ' 5' ' ' HIS . . . . . . . . . . . . . 55.3 t60 -58.55 -18.14 27.2 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 -178.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 6' ' ' LEU . . . . . . . . . . . . . 24.2 mt -120.34 -20.04 7.41 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.217 0.532 . . . . 0.0 110.673 179.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 7' ' ' CYS . . . . . 0.44 ' O ' ' HG ' ' H' ' 11' ' ' LEU . 35.0 t -76.14 -44.17 39.52 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.65 179.685 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' H' H ' 8' ' ' GLY . . . . . 0.46 ' HA2' ' HG ' ' H' ' 11' ' ' LEU . . . -61.31 -26.71 66.53 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 121.268 -0.491 . . . . 0.0 112.752 179.758 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' H' H ' 9' ' ' SER . . . . . 0.422 ' O ' ' HG2' ' F' ' 13' ' ' GLU . 5.7 m -57.98 -27.67 63.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.152 0.501 . . . . 0.0 111.167 -179.668 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' H' H ' 10' ' ' HIS . . . . . 0.605 ' HA ' ' HG3' ' H' ' 13' ' ' GLU . 94.4 m-70 -104.24 -11.98 16.91 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.396 -178.454 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' H' H ' 11' ' ' LEU . . . . . 0.598 HD12 ' HB2' ' G' ' 7' ' ' CYS . 47.5 mt -74.09 -38.41 63.89 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 177.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' H' H ' 12' ' ' VAL . . . . . 1.004 HG22 HG22 ' F' ' 12' ' ' VAL . 0.8 OUTLIER -67.52 -30.28 48.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.115 -0.948 . . . . 0.0 111.89 179.706 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' H' H ' 13' ' ' GLU . . . . . 0.605 ' HG3' ' HA ' ' H' ' 10' ' ' HIS . 24.9 mt-10 -57.26 -55.65 32.03 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-O 121.032 0.444 . . . . 0.0 109.819 179.724 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' H' H ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.48 -33.05 73.47 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.097 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 15' ' ' LEU . . . . . 0.536 ' HB2' ' HA ' ' H' ' 12' ' ' VAL . 2.3 mt -52.51 -62.88 1.36 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.015 -179.724 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' H' H ' 16' ' ' TYR . . . . . 0.72 ' HB3' ' CE1' ' H' ' 24' ' ' PHE . 3.3 p90 -76.43 -16.43 59.69 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 120.06 -0.656 . . . . 0.0 111.1 -179.248 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' H' H ' 17' ' ' LEU . . . . . 0.47 ' HB2' ' O ' ' H' ' 13' ' ' GLU . 8.1 tt -68.82 -39.36 80.05 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 178.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . 0.444 HG12 ' HG ' ' G' ' 13' ' ' LEU . 49.5 t -68.45 -44.38 83.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.523 178.245 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' H' H ' 19' ' ' CYS . . . . . 0.965 ' HB3' ' HB3' ' H' ' 22' ' ' ARG . 74.5 m -66.92 -37.4 84.28 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.595 179.739 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' H' H ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.64 -108.01 2.53 Favored Glycine 0 N--CA 1.451 -0.351 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 21' ' ' GLU . . . . . 0.523 ' O ' ' HD2' ' F' ' 29' ' ' LYS . 54.2 mt-10 -96.45 51.1 1.17 Allowed 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 178.282 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' H' H ' 22' ' ' ARG . . . . . 0.965 ' HB3' ' HB3' ' H' ' 19' ' ' CYS . 73.7 ttt180 -139.41 133.04 30.48 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.846 -1.07 . . . . 0.0 108.928 -178.708 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' H' H ' 23' ' ' GLY . . . . . 0.545 ' HA2' ' HD2' ' F' ' 28' ' ' PRO . . . -84.62 170.9 46.73 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.644 -0.789 . . . . 0.0 113.159 -178.734 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' H' H ' 24' ' ' PHE . . . . . 0.72 ' CE1' ' HB3' ' H' ' 16' ' ' TYR . 11.7 p90 -155.07 169.92 23.0 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-O 121.104 0.478 . . . . 0.0 110.41 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' H' H ' 25' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -116.09 132.51 56.64 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.348 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 26' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -129.3 119.53 24.1 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.119 0.485 . . . . 0.0 111.013 -179.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 27' ' ' THR . . . . . . . . . . . . . 7.1 p -123.64 101.61 36.54 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.445 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 28' ' ' PRO . . . . . 0.536 ' HD2' ' HA2' ' F' ' 23' ' ' GLY . 82.7 Cg_endo -78.79 50.63 3.51 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.759 2.306 . . . . 0.0 111.825 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' H' H ' 29' ' ' LYS . . . . . 0.494 ' HD2' ' O ' ' F' ' 21' ' ' GLU . 62.7 tttm -153.45 90.43 1.41 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.88 -179.476 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' H' H ' 30' ' ' THR . . . . . . . . . . . . . 6.2 m . . . . . 0 C--O 1.252 1.21 0 CA-C-O 118.106 -0.949 . . . . 0.0 109.998 -178.878 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' I' I ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.691 0 N-CA-C 112.232 -0.347 . . . . 0.0 112.232 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' I' I ' 2' ' ' ILE . . . . . 0.438 HG21 ' H ' ' I' ' 3' ' ' VAL . 7.5 tt -179.91 -40.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-O 121.203 0.525 . . . . 0.0 110.108 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' I' I ' 3' ' ' VAL . . . . . 0.585 HG23 ' HG3' ' J' ' 4' ' ' GLN . 99.6 t -59.34 -34.53 54.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.499 -179.667 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' I' I ' 4' ' ' GLU . . . . . 0.424 ' CD ' ' H ' ' I' ' 4' ' ' GLU . 2.5 mp0 -57.34 -22.87 45.26 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 -178.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' I' I ' 5' ' ' GLN . . . . . 0.465 ' HG3' ' SG ' ' I' ' 11' ' ' CYS . 14.7 pt20 -124.77 -38.98 2.31 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -179.029 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' I' I ' 6' ' ' CYS . . . . . . . . . . . . . 70.8 m -78.12 -24.57 47.41 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 112.335 0.495 . . . . 0.0 112.335 -178.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 7' ' ' CYS . . . . . 0.62 ' HB2' HD12 ' J' ' 11' ' ' LEU . 41.3 t -98.92 -5.8 30.06 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.929 0.395 . . . . 0.0 111.162 -179.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' I' I ' 8' ' ' THR . . . . . . . . . . . . . 2.4 p -91.39 -62.1 1.51 Allowed 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.959 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 9' ' ' SER . . . . . 0.486 ' O ' ' HB ' ' I' ' 10' ' ' ILE . 20.5 p -129.65 16.04 5.9 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -179.554 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' I' I ' 10' ' ' ILE . . . . . 0.663 HD13 ' HB ' ' B' ' 2' ' ' VAL . 2.2 mp 73.28 136.4 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 CA-C-O 121.627 0.727 . . . . 0.0 111.51 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' I' I ' 11' ' ' CYS . . . . . 0.465 ' SG ' ' HG3' ' I' ' 5' ' ' GLN . 92.3 m -92.06 158.69 16.08 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.844 179.269 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' I' I ' 12' ' ' SER . . . . . . . . . . . . . 30.0 t -75.22 166.92 22.87 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.145 179.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 13' ' ' LEU . . . . . 0.442 ' HG ' HG12 ' J' ' 18' ' ' VAL . 10.0 tt -57.48 -61.48 2.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.248 -179.269 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -64.86 -19.06 65.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.027 0.441 . . . . 0.0 111.186 -179.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -75.47 -32.14 60.5 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.083 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 16' ' ' LEU . . . . . 0.412 HD22 ' HB2' ' I' ' 11' ' ' CYS . 83.9 mt -70.89 -29.98 66.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.018 0.437 . . . . 0.0 110.184 178.674 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' I' I ' 17' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -63.67 -16.09 60.1 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.518 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 18' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -69.15 -18.44 63.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.109 0.481 . . . . 0.0 110.497 178.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 19' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -104.35 -2.68 25.16 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.14 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 20' ' ' CYS . . . . . 0.414 ' HA ' ' CB ' ' J' ' 24' ' ' PHE . 3.6 t -88.4 -176.59 5.39 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.783 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' I' I ' 21' ' ' ASN . . . . . . . . . . . . . 3.4 m120 . . . . . 0 C--O 1.244 0.812 0 CA-C-O 118.605 -0.712 . . . . 0.0 110.644 179.868 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' J' J ' 1' ' ' PHE . . . . . 0.609 ' O ' HG21 ' J' ' 2' ' ' VAL . 49.1 t80 . . . . . 0 N--CA 1.481 1.102 0 CA-C-O 120.339 0.114 . . . . 0.0 110.764 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 2' ' ' VAL . . . . . 0.689 ' HB ' HD13 ' E' ' 10' ' ' ILE . 11.1 m 47.92 -159.56 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 124.655 1.182 . . . . 0.0 112.579 -179.61 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' J' J ' 3' ' ' ASN . . . . . 0.453 ' CG ' ' H ' ' J' ' 4' ' ' GLN . 34.0 t30 -150.35 -167.98 2.97 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 122.155 -0.341 . . . . 0.0 111.084 -178.124 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' J' J ' 4' ' ' GLN . . . . . 0.585 ' HG3' HG23 ' I' ' 3' ' ' VAL . 29.6 tt0 -48.34 -36.65 14.84 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 124.061 0.944 . . . . 0.0 112.231 179.759 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' J' J ' 5' ' ' HIS . . . . . 0.414 ' NE2' ' HG ' ' L' ' 17' ' ' LEU . 56.0 t60 -58.65 -17.89 26.11 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -178.546 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' J' J ' 6' ' ' LEU . . . . . . . . . . . . . 24.4 mt -120.37 -19.9 7.44 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.297 0.57 . . . . 0.0 110.729 179.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 7' ' ' CYS . . . . . 0.441 ' O ' ' HG ' ' J' ' 11' ' ' LEU . 40.0 t -76.02 -45.09 36.25 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.578 179.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' J' J ' 8' ' ' GLY . . . . . 0.47 ' HA2' ' HG ' ' J' ' 11' ' ' LEU . . . -60.42 -27.58 65.93 Favored Glycine 0 N--CA 1.449 -0.478 0 CA-C-N 115.927 -0.579 . . . . 0.0 112.728 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' J' J ' 9' ' ' SER . . . . . 0.419 ' O ' ' HG2' ' L' ' 13' ' ' GLU . 7.0 m -57.43 -27.35 62.33 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 122.961 0.504 . . . . 0.0 111.291 -179.717 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' J' J ' 10' ' ' HIS . . . . . 0.614 ' HA ' ' HG3' ' J' ' 13' ' ' GLU . 94.6 m-70 -104.68 -12.31 16.44 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.414 -178.553 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' J' J ' 11' ' ' LEU . . . . . 0.62 HD12 ' HB2' ' I' ' 7' ' ' CYS . 46.8 mt -73.73 -38.77 64.67 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 177.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' J' J ' 12' ' ' VAL . . . . . 1.026 HG22 HG22 ' L' ' 12' ' ' VAL . 0.7 OUTLIER -67.12 -30.48 49.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.056 -0.975 . . . . 0.0 112.011 179.794 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' J' J ' 13' ' ' GLU . . . . . 0.614 ' HG3' ' HA ' ' J' ' 10' ' ' HIS . 25.4 mt-10 -57.33 -55.04 39.86 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' J' J ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.32 -32.68 71.95 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.083 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 15' ' ' LEU . . . . . 0.528 ' HB2' ' HA ' ' J' ' 12' ' ' VAL . 2.5 mt -52.76 -62.86 1.37 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.949 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' J' J ' 16' ' ' TYR . . . . . 0.711 ' HB3' ' CE1' ' J' ' 24' ' ' PHE . 3.2 p90 -76.23 -16.45 59.82 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.153 -0.619 . . . . 0.0 111.009 -179.211 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' J' J ' 17' ' ' LEU . . . . . 0.475 ' HB2' ' O ' ' J' ' 13' ' ' GLU . 7.9 tt -68.81 -40.06 79.72 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 178.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' J' J ' 18' ' ' VAL . . . . . 0.442 HG12 ' HG ' ' I' ' 13' ' ' LEU . 55.6 t -67.86 -43.62 85.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.549 178.24 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' J' J ' 19' ' ' CYS . . . . . 0.951 ' HB3' ' HB3' ' J' ' 22' ' ' ARG . 73.6 m -67.58 -38.62 84.32 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.304 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' J' J ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.09 -108.53 2.7 Favored Glycine 0 N--CA 1.451 -0.352 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 -179.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 21' ' ' GLU . . . . . 0.482 ' O ' ' HD2' ' L' ' 29' ' ' LYS . 53.8 mt-10 -95.94 52.24 1.3 Allowed 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 178.05 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' J' J ' 22' ' ' ARG . . . . . 0.951 ' HB3' ' HB3' ' J' ' 19' ' ' CYS . 73.7 ttt180 -141.13 132.92 27.39 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.975 -1.012 . . . . 0.0 109.103 -178.375 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' J' J ' 23' ' ' GLY . . . . . 0.557 ' HA2' ' HD2' ' L' ' 28' ' ' PRO . . . -84.56 171.01 46.99 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.82 -0.705 . . . . 0.0 113.325 -178.632 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' J' J ' 24' ' ' PHE . . . . . 0.711 ' CE1' ' HB3' ' J' ' 16' ' ' TYR . 11.9 p90 -155.17 169.9 23.08 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-O 121.067 0.461 . . . . 0.0 110.502 179.622 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' J' J ' 25' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -116.12 132.68 56.59 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.381 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 26' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -129.87 119.27 23.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.215 0.531 . . . . 0.0 111.11 -179.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 27' ' ' THR . . . . . . . . . . . . . 7.8 p -123.33 101.35 37.85 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.548 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 28' ' ' PRO . . . . . 0.541 ' HD2' ' HA2' ' L' ' 23' ' ' GLY . 88.1 Cg_endo -78.85 51.51 3.86 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.804 2.336 . . . . 0.0 111.737 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' J' J ' 29' ' ' LYS . . . . . 0.424 ' HD2' ' O ' ' L' ' 21' ' ' GLU . 63.8 tttm -153.88 90.51 1.38 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.658 -179.472 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' J' J ' 30' ' ' THR . . . . . . . . . . . . . 7.3 m . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.428 -0.796 . . . . 0.0 109.882 -178.534 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.249 0 N-CA-C 112.178 -0.369 . . . . 0.0 112.178 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' K' K ' 2' ' ' ILE . . . . . 0.418 HG21 ' H ' ' K' ' 3' ' ' VAL . 8.3 tt -179.45 -40.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 121.332 0.586 . . . . 0.0 110.373 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' K' K ' 3' ' ' VAL . . . . . 0.553 HG23 ' HG3' ' L' ' 4' ' ' GLN . 92.3 t -59.85 -34.05 54.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.469 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' K' K ' 4' ' ' GLU . . . . . 0.423 ' CD ' ' H ' ' K' ' 4' ' ' GLU . 2.0 mp0 -57.95 -23.1 52.19 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.983 0.734 . . . . 0.0 112.983 -179.028 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' K' K ' 5' ' ' GLN . . . . . 0.474 ' HG3' ' SG ' ' K' ' 11' ' ' CYS . 14.5 pt20 -124.24 -38.91 2.39 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.762 0.652 . . . . 0.0 112.762 -179.018 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' K' K ' 6' ' ' CYS . . . . . . . . . . . . . 73.0 m -78.69 -24.15 45.22 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -178.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 7' ' ' CYS . . . . . 0.628 ' HB2' HD12 ' L' ' 11' ' ' LEU . 41.8 t -99.04 -6.67 28.08 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.957 0.408 . . . . 0.0 111.218 -179.636 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' K' K ' 8' ' ' THR . . . . . . . . . . . . . 2.7 p -90.69 -61.56 1.65 Allowed 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.741 -0.384 . . . . 0.0 111.015 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 9' ' ' SER . . . . . 0.517 ' O ' ' HB ' ' K' ' 10' ' ' ILE . 11.1 p -129.65 14.33 5.94 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -179.298 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' K' K ' 10' ' ' ILE . . . . . 0.659 HD13 ' HB ' ' H' ' 2' ' ' VAL . 2.2 mp 74.82 137.06 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 CA-C-O 121.376 0.608 . . . . 0.0 111.314 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' K' K ' 11' ' ' CYS . . . . . 0.474 ' SG ' ' HG3' ' K' ' 5' ' ' GLN . 91.1 m -92.76 159.07 15.58 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.539 179.206 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' K' K ' 12' ' ' SER . . . . . . . . . . . . . 22.5 t -76.3 165.75 24.42 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 179.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 13' ' ' LEU . . . . . 0.444 ' HG ' HG12 ' L' ' 18' ' ' VAL . 10.1 tt -56.3 -60.86 2.91 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.541 -179.156 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -64.72 -20.53 66.39 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.184 0.516 . . . . 0.0 111.016 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -74.09 -32.72 63.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.346 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 16' ' ' LEU . . . . . 0.441 HD22 ' HB2' ' K' ' 11' ' ' CYS . 84.5 mt -70.68 -30.41 66.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.298 178.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' K' K ' 17' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -63.33 -16.57 60.81 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.457 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 18' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 -68.36 -19.2 64.62 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 120.938 0.399 . . . . 0.0 110.33 178.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 19' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -104.36 -0.43 28.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.228 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 20' ' ' CYS . . . . . 0.409 ' HA ' ' CB ' ' L' ' 24' ' ' PHE . 3.6 t -90.09 -175.53 4.58 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.61 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' K' K ' 21' ' ' ASN . . . . . . . . . . . . . 2.9 m120 . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.634 -0.698 . . . . 0.0 110.668 179.944 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' L' L ' 1' ' ' PHE . . . . . 0.599 ' O ' HG21 ' L' ' 2' ' ' VAL . 48.9 t80 . . . . . 0 N--CA 1.483 1.182 0 CA-C-O 120.469 0.176 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 2' ' ' VAL . . . . . 0.685 ' HB ' HD13 ' C' ' 10' ' ' ILE . 11.6 m 47.0 -159.56 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 124.545 1.138 . . . . 0.0 112.72 -179.465 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' L' L ' 3' ' ' ASN . . . . . 0.459 ' CG ' ' H ' ' L' ' 4' ' ' GLN . 29.3 t30 -149.99 -167.77 2.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.867 0.365 . . . . 0.0 111.197 -178.146 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' L' L ' 4' ' ' GLN . . . . . 0.553 ' HG3' HG23 ' K' ' 3' ' ' VAL . 29.7 tt0 -48.18 -37.83 16.71 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 123.936 0.895 . . . . 0.0 112.238 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' L' L ' 5' ' ' HIS . . . . . 0.444 ' NE2' ' HG ' ' J' ' 17' ' ' LEU . 54.7 t60 -57.16 -18.69 16.47 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 113.045 0.758 . . . . 0.0 113.045 -178.634 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' L' L ' 6' ' ' LEU . . . . . . . . . . . . . 24.1 mt -119.87 -20.47 7.54 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.197 0.523 . . . . 0.0 110.826 179.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 7' ' ' CYS . . . . . 0.463 ' O ' ' HG ' ' L' ' 11' ' ' LEU . 37.8 t -75.99 -44.04 41.59 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.548 179.745 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' L' L ' 8' ' ' GLY . . . . . 0.475 ' HA2' ' HG ' ' L' ' 11' ' ' LEU . . . -61.61 -26.54 66.8 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 121.171 -0.538 . . . . 0.0 112.838 179.739 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' L' L ' 9' ' ' SER . . . . . 0.424 ' O ' ' HG2' ' J' ' 13' ' ' GLU . 6.6 m -58.23 -27.53 64.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.212 0.53 . . . . 0.0 111.304 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' L' L ' 10' ' ' HIS . . . . . 0.607 ' HA ' ' HG3' ' L' ' 13' ' ' GLU . 94.8 m-70 -104.17 -12.43 16.7 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.347 -178.566 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' L' L ' 11' ' ' LEU . . . . . 0.628 HD12 ' HB2' ' K' ' 7' ' ' CYS . 47.5 mt -73.69 -38.15 64.98 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 178.045 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' L' L ' 12' ' ' VAL . . . . . 1.026 HG22 HG22 ' J' ' 12' ' ' VAL . 0.7 OUTLIER -68.16 -30.05 46.61 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-N 115.002 -0.999 . . . . 0.0 111.967 179.846 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' L' L ' 13' ' ' GLU . . . . . 0.607 ' HG3' ' HA ' ' L' ' 10' ' ' HIS . 25.9 mt-10 -57.33 -55.07 39.53 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 179.721 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' L' L ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.05 -32.54 72.1 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.057 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 15' ' ' LEU . . . . . 0.53 ' HB2' ' HA ' ' L' ' 12' ' ' VAL . 2.4 mt -53.18 -62.54 1.58 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.105 -0.498 . . . . 0.0 112.077 -179.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' L' L ' 16' ' ' TYR . . . . . 0.72 ' HB3' ' CE1' ' L' ' 24' ' ' PHE . 3.3 p90 -76.57 -16.33 59.63 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 119.967 -0.693 . . . . 0.0 110.989 -179.207 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' L' L ' 17' ' ' LEU . . . . . 0.485 ' HB2' ' O ' ' L' ' 13' ' ' GLU . 8.1 tt -68.73 -40.11 80.06 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 178.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' L' L ' 18' ' ' VAL . . . . . 0.444 HG12 ' HG ' ' K' ' 13' ' ' LEU . 50.0 t -67.97 -43.19 85.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.632 178.315 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' L' L ' 19' ' ' CYS . . . . . 0.981 ' HB3' ' HB3' ' L' ' 22' ' ' ARG . 73.3 m -68.36 -36.53 79.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.489 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' L' L ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.53 -109.58 2.82 Favored Glycine 0 N--CA 1.452 -0.297 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -179.189 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 21' ' ' GLU . . . . . 0.424 ' O ' ' HD2' ' J' ' 29' ' ' LYS . 56.0 mt-10 -95.55 54.49 1.58 Allowed 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 178.153 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' L' L ' 22' ' ' ARG . . . . . 0.981 ' HB3' ' HB3' ' L' ' 19' ' ' CYS . 74.6 ttt180 -143.13 131.31 21.93 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.877 -1.056 . . . . 0.0 108.963 -178.492 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' L' L ' 23' ' ' GLY . . . . . 0.541 ' HA2' ' HD2' ' J' ' 28' ' ' PRO . . . -83.4 170.24 48.48 Favored Glycine 0 CA--C 1.511 -0.187 0 C-N-CA 120.64 -0.79 . . . . 0.0 113.168 -178.689 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' L' L ' 24' ' ' PHE . . . . . 0.72 ' CE1' ' HB3' ' L' ' 16' ' ' TYR . 11.1 p90 -154.51 169.95 22.59 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-O 121.013 0.435 . . . . 0.0 110.463 179.639 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' L' L ' 25' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -116.14 132.67 56.59 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.267 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 26' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -129.85 118.59 21.98 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.069 0.462 . . . . 0.0 111.182 -179.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 27' ' ' THR . . . . . . . . . . . . . 6.2 p -122.85 101.76 38.92 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.313 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 28' ' ' PRO . . . . . 0.557 ' HD2' ' HA2' ' J' ' 23' ' ' GLY . 89.4 Cg_endo -78.68 51.36 3.76 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 122.796 2.331 . . . . 0.0 111.73 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' L' L ' 29' ' ' LYS . . . . . 0.482 ' HD2' ' O ' ' J' ' 21' ' ' GLU . 62.6 tttm . . . . . 0 C--N 1.321 -0.648 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.694 -179.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.681 0 N-CA-C 111.709 -0.556 . . . . 0.0 111.709 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.405 ' HB ' ' CE2' ' A' ' 19' ' ' TYR . 3.5 tt -60.57 -50.51 80.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.861 0.362 . . . . 0.0 111.726 -179.375 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.62 HG23 ' CE1' ' B' ' 26' ' ' TYR . 18.6 t -69.4 -19.5 23.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.405 0.621 . . . . 0.0 110.443 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -80.88 -60.3 2.35 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.97 179.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -58.87 -52.77 64.32 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.61 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 83.3 m -69.2 -2.04 9.45 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 113.65 0.982 . . . . 0.0 113.65 -178.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 25.1 t -117.64 -28.55 5.99 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.257 -0.577 . . . . 0.0 110.965 179.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.53 ' O ' HG23 ' F' ' 2' ' ' VAL . 26.8 p -82.94 -23.34 33.52 Favored 'General case' 0 C--N 1.328 -0.33 0 O-C-N 122.281 -0.262 . . . . 0.0 111.082 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.917 ' HA ' HG13 ' F' ' 2' ' ' VAL . 18.5 m -146.72 -5.62 0.54 Allowed 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.977 -0.289 . . . . 0.0 111.586 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.784 HD12 ' HB ' ' F' ' 2' ' ' VAL . 1.9 mp 67.36 135.23 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 CA-C-O 121.599 0.714 . . . . 0.0 111.313 179.483 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 57.6 m -97.37 154.09 17.67 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.397 -178.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.9 m -88.77 178.73 6.38 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.507 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.681 HD13 HG11 ' B' ' 18' ' ' VAL . 59.9 tp -51.17 -60.07 3.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.382 -179.164 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -64.75 -33.99 77.28 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -178.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -60.9 -45.36 94.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.134 179.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.798 HD21 HD22 ' B' ' 15' ' ' LEU . 88.2 mt -66.14 -37.48 85.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.743 -179.513 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.554 ' HA ' ' SG ' ' A' ' 20' ' ' CYS . 37.2 tt0 -59.35 -21.4 59.76 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 120.932 0.396 . . . . 0.0 111.679 -179.099 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -70.25 -12.39 61.56 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.2 179.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.405 ' CE2' ' HB ' ' A' ' 2' ' ' ILE . 83.2 m-85 -107.07 6.44 28.94 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -178.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.554 ' SG ' ' HA ' ' A' ' 17' ' ' GLU . 63.8 m -71.29 140.81 50.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.007 0.432 . . . . 0.0 110.045 179.258 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 . . . . . 0 C--O 1.251 1.132 0 CA-C-O 118.429 -0.796 . . . . 0.0 110.097 -179.745 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.482 1.16 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . 0.885 HG13 ' HA ' ' I' ' 9' ' ' SER . 20.7 m -91.69 88.88 2.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 121.852 0.834 . . . . 0.0 110.537 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -171.32 -43.09 0.02 OUTLIER 'General case' 0 C--O 1.219 -0.548 0 CA-C-N 115.029 -0.987 . . . . 0.0 108.559 -179.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . 0.486 ' HA ' ' HB3' ' B' ' 7' ' ' CYS . 52.6 tt0 -55.61 -36.1 66.58 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.653 179.072 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -64.91 -20.85 66.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.505 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 33.9 mt -105.75 -23.77 12.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.655 0.741 . . . . 0.0 110.106 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . 0.535 ' SG ' HD23 ' B' ' 11' ' ' LEU . 0.0 OUTLIER -79.5 -44.93 20.3 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 114.805 -1.089 . . . . 0.0 111.102 -178.891 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . 0.616 ' HA2' ' HG ' ' B' ' 11' ' ' LEU . . . -58.1 -28.28 61.02 Favored Glycine 0 N--CA 1.452 -0.265 0 CA-C-N 115.988 -0.551 . . . . 0.0 114.125 -179.318 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' SER . . . . . 0.542 ' HB2' ' HG2' ' D' ' 13' ' ' GLU . 13.9 p -67.42 -12.88 61.34 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 117.005 0.402 . . . . 0.0 111.426 -179.559 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -109.77 -18.14 13.51 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.829 -0.348 . . . . 0.0 111.413 -179.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.616 ' HG ' ' HA2' ' B' ' 8' ' ' GLY . 3.0 mt -72.55 -32.91 66.44 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 178.101 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.699 HG22 HG22 ' D' ' 12' ' ' VAL . 2.6 m -65.41 -37.22 79.54 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.098 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.567 179.277 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.574 ' HA ' ' CE2' ' B' ' 16' ' ' TYR . 21.6 mt-10 -61.92 -41.12 97.56 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 179.612 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . 0.607 ' HB3' HD23 ' H' ' 17' ' ' LEU . . . -73.07 -33.36 65.6 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.639 178.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.798 HD22 HD21 ' A' ' 16' ' ' LEU . 16.3 mt -57.79 -57.7 11.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.212 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . 0.672 ' HB2' ' HG3' ' D' ' 28' ' ' PRO . 3.8 p90 -63.47 -26.03 68.54 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.673 -179.155 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.593 HD23 ' HB3' ' H' ' 14' ' ' ALA . 49.0 tp -72.91 -45.67 56.85 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.175 179.474 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . 0.681 HG11 HD13 ' A' ' 13' ' ' LEU . 42.4 t -65.07 -42.89 95.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.013 179.111 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . 0.726 ' HB3' ' HB2' ' B' ' 22' ' ' ARG . 79.8 m -67.62 -20.71 65.38 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.282 179.083 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.66 63.93 3.61 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.347 179.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 72.65 -2.56 2.62 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 123.454 0.702 . . . . 0.0 111.751 -179.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . 0.726 ' HB2' ' HB3' ' B' ' 19' ' ' CYS . 75.9 mtm180 -79.32 147.46 32.44 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 177.239 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . 0.75 ' HA2' ' HD2' ' D' ' 28' ' ' PRO . . . -75.13 -178.84 42.68 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.338 -0.934 . . . . 0.0 112.742 -179.402 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . 0.542 ' HE2' ' HB3' ' B' ' 16' ' ' TYR . 23.3 p90 -167.35 166.48 14.54 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 179.688 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 11.1 p90 -107.92 126.8 53.12 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 178.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.62 ' CE1' HG23 ' A' ' 3' ' ' VAL . 83.6 t80 -119.63 110.07 16.42 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.937 0.399 . . . . 0.0 110.819 -179.21 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' THR . . . . . 0.601 ' O ' HG22 ' A' ' 3' ' ' VAL . 5.3 p -118.63 96.17 49.69 Favored Pre-proline 0 C--N 1.316 -0.851 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.677 179.309 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . 0.746 ' HD2' ' HA2' ' D' ' 23' ' ' GLY . 42.2 Cg_endo -68.72 59.14 1.14 Allowed 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 123.215 2.61 . . . . 0.0 112.92 -179.023 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.566 ' HG2' ' H ' ' B' ' 30' ' ' THR . 66.8 tttt -158.73 -162.63 1.12 Allowed 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' THR . . . . . 0.566 ' H ' ' HG2' ' B' ' 29' ' ' LYS . 13.2 t . . . . . 0 C--O 1.252 1.187 0 CA-C-O 117.838 -1.077 . . . . 0.0 108.683 178.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.013 0 N-CA-C 112.04 -0.424 . . . . 0.0 112.04 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 3.6 tt -60.4 -50.22 81.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 3' ' ' VAL . . . . . 0.625 HG23 ' CE1' ' D' ' 26' ' ' TYR . 19.9 t -69.36 -20.2 23.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.621 0.724 . . . . 0.0 110.704 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -80.51 -60.72 2.21 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.084 179.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -58.62 -52.88 63.78 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.706 -0.679 . . . . 0.0 112.434 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 78.8 m -68.62 -2.05 8.18 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.661 0.985 . . . . 0.0 113.661 -178.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 7' ' ' CYS . . . . . 0.412 ' HB2' HD12 ' D' ' 11' ' ' LEU . 26.4 t -117.71 -28.82 5.89 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.108 -0.637 . . . . 0.0 111.029 179.391 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 8' ' ' THR . . . . . 0.51 ' O ' HG23 ' L' ' 2' ' ' VAL . 28.6 p -82.49 -22.52 35.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.74 0.305 . . . . 0.0 111.314 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 9' ' ' SER . . . . . 0.928 ' HA ' HG13 ' L' ' 2' ' ' VAL . 30.6 m -147.9 -6.09 0.45 Allowed 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.608 -179.776 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . 0.789 HD12 ' HB ' ' L' ' 2' ' ' VAL . 1.9 mp 67.92 135.03 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 CA-C-O 121.554 0.692 . . . . 0.0 111.367 179.071 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 56.8 m -96.79 154.53 17.23 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.383 -178.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 40.9 m -89.14 179.29 6.17 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.477 179.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 13' ' ' LEU . . . . . 0.686 HD13 HG11 ' D' ' 18' ' ' VAL . 59.9 tp -51.72 -59.38 4.36 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 112.513 0.561 . . . . 0.0 112.513 -179.158 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -65.58 -32.7 74.42 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 111.887 0.328 . . . . 0.0 111.887 -178.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -62.11 -44.91 95.62 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.777 0.323 . . . . 0.0 111.166 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 16' ' ' LEU . . . . . 0.789 HD21 HD22 ' D' ' 15' ' ' LEU . 88.9 mt -66.75 -36.5 82.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.857 -179.309 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 17' ' ' GLU . . . . . 0.533 ' HA ' ' SG ' ' C' ' 20' ' ' CYS . 36.0 tt0 -59.98 -21.51 61.35 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.547 -179.256 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -70.68 -11.47 60.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.156 179.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -107.91 7.22 27.92 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -179.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 20' ' ' CYS . . . . . 0.533 ' SG ' ' HA ' ' C' ' 17' ' ' GLU . 64.9 m -71.79 142.59 49.69 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.805 -0.442 . . . . 0.0 109.805 179.074 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.311 -0.852 . . . . 0.0 110.011 -179.868 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.479 0.989 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 2' ' ' VAL . . . . . 0.894 HG13 ' HA ' ' G' ' 9' ' ' SER . 22.8 m -91.94 88.24 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.89 0.852 . . . . 0.0 110.759 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 3' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -170.86 -43.45 0.02 OUTLIER 'General case' 0 C--O 1.219 -0.523 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 4' ' ' GLN . . . . . 0.497 ' HA ' ' HB3' ' D' ' 7' ' ' CYS . 51.3 tt0 -55.12 -35.77 65.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.722 179.014 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 5' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -65.33 -19.96 66.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.448 179.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 35.9 mt -106.35 -24.47 12.25 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.637 0.732 . . . . 0.0 109.919 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 7' ' ' CYS . . . . . 0.535 ' SG ' HD23 ' D' ' 11' ' ' LEU . 0.0 OUTLIER -78.63 -44.24 24.36 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 114.86 -1.063 . . . . 0.0 111.297 -179.042 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' D' D ' 8' ' ' GLY . . . . . 0.598 ' HA2' ' HG ' ' D' ' 11' ' ' LEU . . . -58.68 -28.54 62.94 Favored Glycine 0 N--CA 1.451 -0.305 0 CA-C-N 115.911 -0.586 . . . . 0.0 114.076 -179.264 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 9' ' ' SER . . . . . 0.534 ' HB2' ' HG2' ' B' ' 13' ' ' GLU . 13.0 p -67.32 -12.58 60.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.003 0.43 . . . . 0.0 111.625 -179.59 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 10' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -109.82 -18.72 13.36 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.784 -0.366 . . . . 0.0 111.389 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 11' ' ' LEU . . . . . 0.598 ' HG ' ' HA2' ' D' ' 8' ' ' GLY . 3.1 mt -72.26 -32.68 66.88 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.315 -0.995 . . . . 0.0 108.315 178.089 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 12' ' ' VAL . . . . . 0.699 HG22 HG22 ' B' ' 12' ' ' VAL . 2.4 m -65.66 -37.26 79.56 Favored 'Isoleucine or valine' 0 C--O 1.231 0.091 0 CA-C-N 115.351 -0.841 . . . . 0.0 111.574 179.289 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 13' ' ' GLU . . . . . 0.585 ' HA ' ' CE2' ' D' ' 16' ' ' TYR . 21.5 mt-10 -61.85 -40.86 96.79 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 121.506 0.669 . . . . 0.0 109.239 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 14' ' ' ALA . . . . . 0.597 ' HB3' HD23 ' J' ' 17' ' ' LEU . . . -73.13 -33.28 65.43 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.364 -0.834 . . . . 0.0 110.707 178.767 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 15' ' ' LEU . . . . . 0.789 HD22 HD21 ' C' ' 16' ' ' LEU . 16.6 mt -58.18 -57.81 11.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.015 -0.538 . . . . 0.0 112.208 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 16' ' ' TYR . . . . . 0.649 ' HB2' ' HG3' ' B' ' 28' ' ' PRO . 4.2 p90 -63.45 -25.12 68.12 Favored 'General case' 0 C--O 1.235 0.294 0 C-N-CA 120.325 -0.55 . . . . 0.0 110.708 -178.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . 0.619 HD23 ' HB3' ' J' ' 14' ' ' ALA . 49.2 tp -73.45 -46.36 48.82 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.033 179.557 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . 0.686 HG11 HD13 ' C' ' 13' ' ' LEU . 43.0 t -64.44 -43.66 96.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.062 179.039 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 19' ' ' CYS . . . . . 0.731 ' HB3' ' HB2' ' D' ' 22' ' ' ARG . 79.0 m -66.82 -20.53 65.95 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.393 178.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.26 63.62 3.85 Favored Glycine 0 C--N 1.331 0.297 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.364 179.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 73.29 -3.74 2.38 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 123.475 0.71 . . . . 0.0 111.806 -179.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 22' ' ' ARG . . . . . 0.731 ' HB2' ' HB3' ' D' ' 19' ' ' CYS . 77.1 mtm180 -78.0 147.84 34.66 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 177.041 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 23' ' ' GLY . . . . . 0.746 ' HA2' ' HD2' ' B' ' 28' ' ' PRO . . . -75.73 -179.02 44.6 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.436 -0.888 . . . . 0.0 112.614 -179.183 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 24' ' ' PHE . . . . . 0.53 ' HE2' ' HB3' ' D' ' 16' ' ' TYR . 24.8 p90 -167.15 166.46 14.98 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 179.606 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 25' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -107.82 126.73 53.0 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 178.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 26' ' ' TYR . . . . . 0.625 ' CE1' HG23 ' C' ' 3' ' ' VAL . 83.3 t80 -119.54 110.36 16.8 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.113 0.482 . . . . 0.0 110.793 -179.274 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 27' ' ' THR . . . . . 0.602 ' O ' HG22 ' C' ' 3' ' ' VAL . 5.7 p -118.92 96.4 50.1 Favored Pre-proline 0 C--N 1.316 -0.854 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.521 179.312 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 28' ' ' PRO . . . . . 0.75 ' HD2' ' HA2' ' B' ' 23' ' ' GLY . 41.1 Cg_endo -68.66 58.34 1.08 Allowed 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 123.188 2.592 . . . . 0.0 112.871 -178.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 29' ' ' LYS . . . . . 0.563 ' HG2' ' H ' ' D' ' 30' ' ' THR . 68.2 tttt -159.4 -165.64 1.61 Allowed 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 107.71 -1.218 . . . . 0.0 107.71 -179.657 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 30' ' ' THR . . . . . 0.563 ' H ' ' HG2' ' D' ' 29' ' ' LYS . 14.6 t . . . . . 0 C--O 1.253 1.266 0 CA-C-O 118.043 -0.979 . . . . 0.0 108.706 178.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.632 0 N-CA-C 112.231 -0.348 . . . . 0.0 112.231 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' E' E ' 2' ' ' ILE . . . . . 0.416 ' HB ' ' CE2' ' E' ' 19' ' ' TYR . 3.3 tt -58.83 -49.69 82.05 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -179.049 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 3' ' ' VAL . . . . . 0.629 HG23 ' CE1' ' F' ' 26' ' ' TYR . 19.8 t -70.05 -19.93 22.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.201 0.524 . . . . 0.0 110.524 -179.524 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 4' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -81.49 -59.5 2.6 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.094 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -59.19 -53.15 61.56 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.808 -0.633 . . . . 0.0 112.319 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 6' ' ' CYS . . . . . 0.403 ' O ' ' HA ' ' E' ' 10' ' ' ILE . 81.0 m -68.39 -3.3 10.72 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 113.501 0.926 . . . . 0.0 113.501 -177.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 7' ' ' CYS . . . . . 0.418 ' HB2' HD12 ' F' ' 11' ' ' LEU . 25.4 t -116.63 -27.78 6.59 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.204 -0.598 . . . . 0.0 111.124 179.518 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 8' ' ' THR . . . . . 0.522 ' O ' HG23 ' J' ' 2' ' ' VAL . 30.7 p -83.62 -22.91 32.07 Favored 'General case' 0 C--N 1.331 -0.228 0 O-C-N 122.183 -0.323 . . . . 0.0 111.186 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 9' ' ' SER . . . . . 0.937 ' HA ' HG13 ' J' ' 2' ' ' VAL . 19.7 m -147.09 -6.05 0.5 Allowed 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 111.772 0.286 . . . . 0.0 111.772 -179.653 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 10' ' ' ILE . . . . . 0.78 HD12 ' HB ' ' J' ' 2' ' ' VAL . 1.9 mp 67.86 135.97 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.468 0 O-C-N 123.628 0.58 . . . . 0.0 111.291 179.237 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 11' ' ' CYS . . . . . . . . . . . . . 56.7 m -98.32 153.71 18.34 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.018 0.437 . . . . 0.0 111.442 -178.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 12' ' ' SER . . . . . . . . . . . . . 25.5 m -88.22 179.28 6.4 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.546 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 13' ' ' LEU . . . . . 0.703 HD13 HG11 ' F' ' 18' ' ' VAL . 59.8 tp -51.64 -59.56 4.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.87 -0.605 . . . . 0.0 112.469 -179.314 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -65.82 -31.96 73.21 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -178.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -62.89 -44.5 95.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.76 0.314 . . . . 0.0 110.932 179.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 16' ' ' LEU . . . . . 0.778 HD21 HD22 ' F' ' 15' ' ' LEU . 89.9 mt -66.81 -36.95 83.56 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.888 -179.596 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 17' ' ' GLU . . . . . 0.529 ' HA ' ' SG ' ' E' ' 20' ' ' CYS . 38.0 tt0 -59.53 -22.01 61.06 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 120.888 0.375 . . . . 0.0 111.561 -179.008 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 18' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -69.45 -13.52 62.4 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.643 0.259 . . . . 0.0 111.12 179.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 19' ' ' TYR . . . . . 0.416 ' CE2' ' HB ' ' E' ' 2' ' ' ILE . 82.1 m-85 -105.67 5.68 31.32 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -178.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 20' ' ' CYS . . . . . 0.529 ' SG ' ' HA ' ' E' ' 17' ' ' GLU . 64.1 m -70.34 142.11 52.2 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 178.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 21' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.494 -0.765 . . . . 0.0 110.15 -179.747 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' F' F ' 1' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.48 1.052 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 2' ' ' VAL . . . . . 0.917 HG13 ' HA ' ' A' ' 9' ' ' SER . 22.7 m -90.38 86.99 2.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.917 0.865 . . . . 0.0 110.86 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 3' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 -169.55 -43.44 0.02 OUTLIER 'General case' 0 C--O 1.218 -0.586 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -179.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 4' ' ' GLN . . . . . 0.478 ' HA ' ' HB3' ' F' ' 7' ' ' CYS . 51.6 tt0 -55.41 -35.57 65.5 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.908 179.222 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 5' ' ' HIS . . . . . . . . . . . . . 75.5 t60 -65.27 -20.36 66.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.419 179.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 6' ' ' LEU . . . . . . . . . . . . . 35.5 mt -105.91 -24.89 12.34 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.634 0.73 . . . . 0.0 109.993 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 7' ' ' CYS . . . . . 0.527 ' SG ' HD23 ' F' ' 11' ' ' LEU . 0.0 OUTLIER -78.37 -44.66 24.46 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 114.742 -1.117 . . . . 0.0 111.276 -178.935 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' F' F ' 8' ' ' GLY . . . . . 0.594 ' HA2' ' HG ' ' F' ' 11' ' ' LEU . . . -58.25 -28.23 61.35 Favored Glycine 0 N--CA 1.45 -0.409 0 CA-C-N 115.967 -0.561 . . . . 0.0 114.069 -179.313 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 9' ' ' SER . . . . . 0.514 ' HB2' ' HG2' ' H' ' 13' ' ' GLU . 14.2 p -67.72 -12.39 60.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.022 0.439 . . . . 0.0 111.552 -179.471 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 10' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -109.75 -18.79 13.36 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.285 -179.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 11' ' ' LEU . . . . . 0.594 ' HG ' ' HA2' ' F' ' 8' ' ' GLY . 3.0 mt -72.42 -32.58 66.46 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 178.286 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 12' ' ' VAL . . . . . 0.697 HG22 HG22 ' H' ' 12' ' ' VAL . 2.6 m -65.54 -37.26 79.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.499 179.154 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 13' ' ' GLU . . . . . 0.575 ' HA ' ' CE2' ' F' ' 16' ' ' TYR . 21.3 mt-10 -61.94 -40.73 96.54 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 121.506 0.669 . . . . 0.0 109.388 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 14' ' ' ALA . . . . . 0.591 ' HB3' HD23 ' L' ' 17' ' ' LEU . . . -73.53 -33.07 64.55 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.492 178.798 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 15' ' ' LEU . . . . . 0.778 HD22 HD21 ' E' ' 16' ' ' LEU . 16.0 mt -58.38 -57.47 12.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.072 -0.513 . . . . 0.0 112.154 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 16' ' ' TYR . . . . . 0.663 ' HB2' ' HG3' ' H' ' 28' ' ' PRO . 3.9 p90 -63.91 -24.97 67.94 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 120.437 -0.505 . . . . 0.0 110.761 -178.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 17' ' ' LEU . . . . . 0.614 HD23 ' HB3' ' L' ' 14' ' ' ALA . 50.8 tp -73.76 -46.16 47.47 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.874 179.561 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . 0.703 HG11 HD13 ' E' ' 13' ' ' LEU . 43.3 t -64.24 -44.34 97.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.903 179.041 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 19' ' ' CYS . . . . . 0.724 ' HB3' ' HB2' ' F' ' 22' ' ' ARG . 84.1 m -66.27 -20.53 66.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.393 179.046 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 20' ' ' GLY . . . . . 0.406 ' O ' ' HB2' ' F' ' 21' ' ' GLU . . . 66.58 62.14 4.8 Favored Glycine 0 C--N 1.33 0.205 0 C-N-CA 121.014 -0.612 . . . . 0.0 112.563 179.108 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 21' ' ' GLU . . . . . 0.406 ' HB2' ' O ' ' F' ' 20' ' ' GLY . 68.9 mt-10 75.17 -4.39 2.39 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.68 0.792 . . . . 0.0 111.583 -179.419 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 22' ' ' ARG . . . . . 0.724 ' HB2' ' HB3' ' F' ' 19' ' ' CYS . 76.5 mtm180 -77.41 147.97 35.74 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 177.233 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 23' ' ' GLY . . . . . 0.735 ' HA2' ' HD2' ' H' ' 28' ' ' PRO . . . -76.46 179.93 48.01 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.424 -0.893 . . . . 0.0 112.517 -179.132 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 24' ' ' PHE . . . . . 0.546 ' HE2' ' HB3' ' F' ' 16' ' ' TYR . 24.6 p90 -165.91 167.58 16.59 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 179.48 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 25' ' ' PHE . . . . . . . . . . . . . 11.1 p90 -108.92 126.62 53.27 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 178.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 26' ' ' TYR . . . . . 0.629 ' CE1' HG23 ' E' ' 3' ' ' VAL . 83.7 t80 -119.36 110.5 17.03 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.889 0.376 . . . . 0.0 110.816 -179.094 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 27' ' ' THR . . . . . 0.59 ' O ' HG22 ' E' ' 3' ' ' VAL . 6.2 p -119.09 96.27 49.98 Favored Pre-proline 0 C--N 1.316 -0.883 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 179.165 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 28' ' ' PRO . . . . . 0.724 ' HD2' ' HA2' ' H' ' 23' ' ' GLY . 42.0 Cg_endo -68.48 58.46 1.03 Allowed 'Trans proline' 0 C--N 1.352 0.743 0 C-N-CA 123.346 2.698 . . . . 0.0 112.783 -178.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 29' ' ' LYS . . . . . 0.567 ' HG2' ' H ' ' F' ' 30' ' ' THR . 66.5 tttt -158.62 -163.66 1.3 Allowed 'General case' 0 N--CA 1.444 -0.756 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 -179.743 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 30' ' ' THR . . . . . 0.567 ' H ' ' HG2' ' F' ' 29' ' ' LYS . 13.3 t . . . . . 0 C--O 1.25 1.129 0 CA-C-O 118.141 -0.933 . . . . 0.0 109.185 179.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.232 0 N-CA-C 111.735 -0.546 . . . . 0.0 111.735 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' G' G ' 2' ' ' ILE . . . . . 0.404 HG22 HG21 ' G' ' 3' ' ' VAL . 3.7 tt -58.96 -50.6 79.07 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 3' ' ' VAL . . . . . 0.614 HG23 ' CE1' ' H' ' 26' ' ' TYR . 18.7 t -69.43 -20.21 23.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.463 0.649 . . . . 0.0 110.835 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 4' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -80.3 -61.08 2.09 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.008 179.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 5' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -57.87 -53.32 59.6 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.636 -0.711 . . . . 0.0 112.606 -179.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 6' ' ' CYS . . . . . . . . . . . . . 82.8 m -68.55 -2.72 9.49 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 -178.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 7' ' ' CYS . . . . . . . . . . . . . 24.8 t -116.88 -28.3 6.34 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.26 -0.576 . . . . 0.0 110.994 179.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 8' ' ' THR . . . . . 0.519 ' O ' HG23 ' D' ' 2' ' ' VAL . 31.2 p -82.82 -23.32 33.84 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.935 -0.306 . . . . 0.0 111.218 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 9' ' ' SER . . . . . 0.894 ' HA ' HG13 ' D' ' 2' ' ' VAL . 20.2 m -146.82 -7.03 0.5 Allowed 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.676 -179.626 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 10' ' ' ILE . . . . . 0.797 HD12 ' HB ' ' D' ' 2' ' ' VAL . 1.9 mp 68.44 133.94 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 CA-C-O 121.575 0.702 . . . . 0.0 111.443 179.277 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 11' ' ' CYS . . . . . . . . . . . . . 54.0 m -96.29 153.6 17.72 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.621 -178.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 12' ' ' SER . . . . . . . . . . . . . 19.9 m -89.0 178.09 6.49 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.447 179.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 13' ' ' LEU . . . . . 0.664 HD13 HG11 ' H' ' 18' ' ' VAL . 57.7 tp -50.2 -60.13 3.27 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 123.15 0.58 . . . . 0.0 112.542 -179.276 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -64.93 -32.29 73.93 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 -178.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -63.22 -44.53 95.03 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.77 0.319 . . . . 0.0 111.09 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 16' ' ' LEU . . . . . 0.799 HD21 HD22 ' H' ' 15' ' ' LEU . 89.1 mt -66.86 -35.95 81.21 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.882 -179.509 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 17' ' ' GLU . . . . . 0.54 ' HA ' ' SG ' ' G' ' 20' ' ' CYS . 37.1 tt0 -60.56 -21.19 62.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.966 0.412 . . . . 0.0 111.618 -179.136 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 18' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -71.11 -11.94 61.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.746 0.308 . . . . 0.0 111.244 179.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 19' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -106.99 7.31 29.8 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 -179.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 20' ' ' CYS . . . . . 0.54 ' SG ' ' HA ' ' G' ' 17' ' ' GLU . 67.1 m -71.61 143.61 49.75 Favored 'General case' 0 C--O 1.236 0.384 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 178.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 21' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.494 -0.765 . . . . 0.0 110.339 -179.52 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' H' H ' 1' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.478 0.966 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 2' ' ' VAL . . . . . 0.933 HG13 ' HA ' ' K' ' 9' ' ' SER . 21.0 m -90.61 88.33 2.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.69 0.757 . . . . 0.0 110.593 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 3' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -170.44 -43.98 0.02 OUTLIER 'General case' 0 C--O 1.218 -0.554 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 -179.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 4' ' ' GLN . . . . . 0.491 ' HA ' ' HB3' ' H' ' 7' ' ' CYS . 51.7 tt0 -55.11 -35.91 65.15 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.676 178.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 5' ' ' HIS . . . . . . . . . . . . . 76.4 t60 -65.48 -19.72 66.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.475 179.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 6' ' ' LEU . . . . . . . . . . . . . 35.5 mt -106.67 -23.75 12.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.602 0.715 . . . . 0.0 109.981 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 7' ' ' CYS . . . . . 0.535 ' SG ' HD23 ' H' ' 11' ' ' LEU . 0.0 OUTLIER -79.45 -44.6 21.02 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 114.87 -1.059 . . . . 0.0 111.229 -178.796 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' H' H ' 8' ' ' GLY . . . . . 0.585 ' HA2' ' HG ' ' H' ' 11' ' ' LEU . . . -58.32 -28.48 61.88 Favored Glycine 0 N--CA 1.451 -0.327 0 CA-C-N 116.049 -0.523 . . . . 0.0 114.141 -179.399 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 9' ' ' SER . . . . . 0.517 ' HB2' ' HG2' ' F' ' 13' ' ' GLU . 13.3 p -67.33 -12.45 60.2 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.945 0.402 . . . . 0.0 111.46 -179.382 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 10' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -109.89 -18.59 13.36 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.705 0.288 . . . . 0.0 111.454 -179.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 11' ' ' LEU . . . . . 0.585 ' HG ' ' HA2' ' H' ' 8' ' ' GLY . 3.2 mt -72.64 -32.9 66.24 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 178.229 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 12' ' ' VAL . . . . . 0.697 HG22 HG22 ' F' ' 12' ' ' VAL . 2.4 m -65.24 -37.42 80.12 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.498 179.297 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 13' ' ' GLU . . . . . 0.58 ' HA ' ' CE2' ' H' ' 16' ' ' TYR . 20.9 mt-10 -61.74 -41.08 97.19 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.507 0.67 . . . . 0.0 109.376 179.567 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 14' ' ' ALA . . . . . 0.593 ' HB3' HD23 ' B' ' 17' ' ' LEU . . . -73.08 -33.56 65.7 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.545 178.722 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 15' ' ' LEU . . . . . 0.799 HD22 HD21 ' G' ' 16' ' ' LEU . 16.7 mt -57.95 -57.68 11.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.209 -179.63 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 16' ' ' TYR . . . . . 0.675 ' HB2' ' HG3' ' F' ' 28' ' ' PRO . 4.0 p90 -63.63 -25.46 68.23 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 120.467 -0.493 . . . . 0.0 110.527 -179.074 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 17' ' ' LEU . . . . . 0.607 HD23 ' HB3' ' B' ' 14' ' ' ALA . 50.4 tp -73.2 -45.98 53.15 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.894 -0.593 . . . . 0.0 109.918 179.554 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . 0.664 HG11 HD13 ' G' ' 13' ' ' LEU . 42.5 t -65.02 -42.97 96.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.043 179.119 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 19' ' ' CYS . . . . . 0.696 ' HB3' ' HB2' ' H' ' 22' ' ' ARG . 81.2 m -68.13 -18.36 64.61 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.277 179.131 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.48 63.65 4.14 Favored Glycine 0 C--N 1.331 0.261 0 C-N-CA 120.969 -0.634 . . . . 0.0 112.445 179.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 21' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 73.18 -2.99 2.56 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 123.424 0.69 . . . . 0.0 111.819 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 22' ' ' ARG . . . . . 0.696 ' HB2' ' HB3' ' H' ' 19' ' ' CYS . 76.6 mtm180 -78.85 148.24 32.89 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 107.842 -1.169 . . . . 0.0 107.842 177.057 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 23' ' ' GLY . . . . . 0.724 ' HA2' ' HD2' ' F' ' 28' ' ' PRO . . . -75.94 -178.67 44.58 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.227 -0.987 . . . . 0.0 112.804 -179.155 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 24' ' ' PHE . . . . . 0.535 ' HE2' ' HB3' ' H' ' 16' ' ' TYR . 24.6 p90 -167.28 167.37 14.13 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 179.512 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 25' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -109.07 126.65 53.39 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 178.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 26' ' ' TYR . . . . . 0.614 ' CE1' HG23 ' G' ' 3' ' ' VAL . 83.0 t80 -119.45 110.87 17.42 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.962 0.41 . . . . 0.0 110.821 -179.171 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 27' ' ' THR . . . . . 0.594 ' O ' HG22 ' G' ' 3' ' ' VAL . 3.3 p -119.54 95.83 49.43 Favored Pre-proline 0 C--N 1.316 -0.89 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.514 179.426 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 28' ' ' PRO . . . . . 0.735 ' HD2' ' HA2' ' F' ' 23' ' ' GLY . 38.5 Cg_endo -68.21 57.95 0.92 Allowed 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 123.354 2.703 . . . . 0.0 112.974 -178.705 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 29' ' ' LYS . . . . . 0.555 ' HG2' ' H ' ' H' ' 30' ' ' THR . 65.4 tttt -157.96 -163.58 1.35 Allowed 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.653 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 30' ' ' THR . . . . . 0.555 ' H ' ' HG2' ' H' ' 29' ' ' LYS . 13.2 t . . . . . 0 C--O 1.254 1.311 0 CA-C-O 118.077 -0.963 . . . . 0.0 108.852 178.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.753 0 N-CA-C 111.79 -0.524 . . . . 0.0 111.79 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' I' I ' 2' ' ' ILE . . . . . 0.414 HG22 HG21 ' I' ' 3' ' ' VAL . 3.8 tt -57.35 -50.8 75.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -179.48 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 3' ' ' VAL . . . . . 0.62 HG23 ' CE1' ' J' ' 26' ' ' TYR . 18.9 t -69.24 -19.95 23.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.463 0.649 . . . . 0.0 110.715 -179.646 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 4' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -80.75 -60.01 2.46 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.124 179.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 5' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -58.77 -53.41 58.63 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.649 -0.705 . . . . 0.0 112.577 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 6' ' ' CYS . . . . . 0.406 ' O ' ' HA ' ' I' ' 10' ' ' ILE . 79.7 m -68.13 -3.22 9.72 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 113.596 0.961 . . . . 0.0 113.596 -177.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 7' ' ' CYS . . . . . 0.414 ' HB2' HD12 ' J' ' 11' ' ' LEU . 25.5 t -116.57 -29.23 6.19 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.241 -0.584 . . . . 0.0 110.961 179.466 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 8' ' ' THR . . . . . 0.516 ' O ' HG23 ' B' ' 2' ' ' VAL . 27.7 p -82.32 -23.0 35.37 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.913 -0.315 . . . . 0.0 111.399 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 9' ' ' SER . . . . . 0.885 ' HA ' HG13 ' B' ' 2' ' ' VAL . 27.8 m -146.87 -6.64 0.5 Allowed 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.987 -0.285 . . . . 0.0 111.694 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 10' ' ' ILE . . . . . 0.78 HD12 ' HB ' ' B' ' 2' ' ' VAL . 1.9 mp 68.33 136.13 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 CA-C-O 121.501 0.667 . . . . 0.0 111.322 179.358 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 11' ' ' CYS . . . . . . . . . . . . . 57.8 m -97.8 154.84 17.35 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.43 -178.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 12' ' ' SER . . . . . . . . . . . . . 24.8 m -89.46 -179.71 5.88 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.295 179.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 13' ' ' LEU . . . . . 0.688 HD13 HG11 ' J' ' 18' ' ' VAL . 60.0 tp -52.83 -58.82 5.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.041 -0.527 . . . . 0.0 112.28 -178.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -65.65 -33.48 75.99 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -178.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -61.19 -44.96 96.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.72 0.295 . . . . 0.0 111.032 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 16' ' ' LEU . . . . . 0.785 HD21 HD22 ' J' ' 15' ' ' LEU . 89.8 mt -66.79 -37.02 83.74 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.983 -179.511 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 17' ' ' GLU . . . . . 0.549 ' HA ' ' SG ' ' I' ' 20' ' ' CYS . 37.8 tt0 -59.93 -20.67 58.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.927 0.394 . . . . 0.0 111.647 -179.14 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 18' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -70.81 -13.11 61.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.989 179.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 19' ' ' TYR . . . . . 0.405 ' CE2' ' HB ' ' I' ' 2' ' ' ILE . 81.9 m-85 -106.19 6.21 30.63 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.038 0.384 . . . . 0.0 112.038 -179.028 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 20' ' ' CYS . . . . . 0.549 ' SG ' ' HA ' ' I' ' 17' ' ' GLU . 65.0 m -70.72 142.89 51.44 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 179.217 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 21' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 . . . . . 0 C--O 1.246 0.9 0 CA-C-O 118.211 -0.9 . . . . 0.0 109.911 -179.883 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' J' J ' 1' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.48 1.063 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 2' ' ' VAL . . . . . 0.937 HG13 ' HA ' ' E' ' 9' ' ' SER . 19.7 m -92.08 86.02 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.913 0.863 . . . . 0.0 110.882 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 3' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -168.14 -43.57 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 -179.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 4' ' ' GLN . . . . . 0.508 ' HA ' ' HB3' ' J' ' 7' ' ' CYS . 52.2 tt0 -54.96 -36.42 65.3 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.677 179.038 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 5' ' ' HIS . . . . . . . . . . . . . 75.2 t60 -64.67 -20.19 66.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.552 179.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 6' ' ' LEU . . . . . . . . . . . . . 35.1 mt -106.3 -24.25 12.33 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.734 0.778 . . . . 0.0 109.974 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 7' ' ' CYS . . . . . 0.536 ' SG ' HD23 ' J' ' 11' ' ' LEU . 0.0 OUTLIER -78.96 -44.35 22.65 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.711 -1.131 . . . . 0.0 111.271 -178.925 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' J' J ' 8' ' ' GLY . . . . . 0.585 ' HA2' ' HG ' ' J' ' 11' ' ' LEU . . . -58.68 -28.55 62.96 Favored Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.919 -0.582 . . . . 0.0 113.922 -179.138 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 9' ' ' SER . . . . . 0.53 ' HB2' ' HG2' ' L' ' 13' ' ' GLU . 15.8 p -67.38 -12.82 61.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 117.063 0.431 . . . . 0.0 111.4 -179.279 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 10' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -109.69 -18.11 13.54 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.926 -0.309 . . . . 0.0 111.425 -179.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 11' ' ' LEU . . . . . 0.585 ' HG ' ' HA2' ' J' ' 8' ' ' GLY . 3.3 mt -72.94 -32.56 65.35 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 178.2 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 12' ' ' VAL . . . . . 0.678 HG22 HG22 ' L' ' 12' ' ' VAL . 2.5 m -65.7 -37.12 79.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.444 179.127 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 13' ' ' GLU . . . . . 0.57 ' HA ' ' CE2' ' J' ' 16' ' ' TYR . 22.1 mt-10 -61.76 -41.21 97.39 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-O 121.464 0.649 . . . . 0.0 109.406 179.634 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 14' ' ' ALA . . . . . 0.619 ' HB3' HD23 ' D' ' 17' ' ' LEU . . . -73.11 -33.1 65.36 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.7 178.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 15' ' ' LEU . . . . . 0.785 HD22 HD21 ' I' ' 16' ' ' LEU . 16.6 mt -58.15 -57.5 12.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.023 -0.535 . . . . 0.0 112.055 -179.65 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 16' ' ' TYR . . . . . 0.663 ' HB2' ' HG3' ' L' ' 28' ' ' PRO . 3.8 p90 -63.69 -25.51 68.24 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-O 121.18 0.514 . . . . 0.0 110.643 -179.112 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 17' ' ' LEU . . . . . 0.597 HD23 ' HB3' ' D' ' 14' ' ' ALA . 49.6 tp -73.33 -46.46 49.27 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.924 179.463 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 18' ' ' VAL . . . . . 0.688 HG11 HD13 ' I' ' 13' ' ' LEU . 42.9 t -64.03 -44.15 97.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.021 179.067 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 19' ' ' CYS . . . . . 0.717 ' HB3' ' HB2' ' J' ' 22' ' ' ARG . 80.8 m -66.81 -19.1 65.68 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.48 179.004 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 20' ' ' GLY . . . . . 0.402 ' O ' ' HB2' ' J' ' 21' ' ' GLU . . . 64.83 64.05 3.8 Favored Glycine 0 C--N 1.33 0.206 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.481 179.351 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 21' ' ' GLU . . . . . 0.402 ' HB2' ' O ' ' J' ' 20' ' ' GLY . 76.0 mt-10 72.95 -3.57 2.38 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.205 0.602 . . . . 0.0 111.854 -179.374 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 22' ' ' ARG . . . . . 0.717 ' HB2' ' HB3' ' J' ' 19' ' ' CYS . 77.2 mtm180 -78.42 147.95 33.81 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 177.294 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 23' ' ' GLY . . . . . 0.756 ' HA2' ' HD2' ' L' ' 28' ' ' PRO . . . -75.76 -178.88 44.45 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.206 -0.997 . . . . 0.0 112.719 -179.191 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 24' ' ' PHE . . . . . 0.532 ' HE2' ' HB3' ' J' ' 16' ' ' TYR . 24.8 p90 -167.04 166.77 15.04 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 25' ' ' PHE . . . . . . . . . . . . . 11.0 p90 -108.38 126.24 52.65 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.387 -0.598 . . . . 0.0 109.387 178.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 26' ' ' TYR . . . . . 0.62 ' CE1' HG23 ' I' ' 3' ' ' VAL . 83.4 t80 -118.99 110.57 17.28 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.882 0.372 . . . . 0.0 110.81 -179.232 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 27' ' ' THR . . . . . 0.6 ' O ' HG22 ' I' ' 3' ' ' VAL . 4.5 p -119.21 96.0 49.7 Favored Pre-proline 0 C--N 1.316 -0.884 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 179.521 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 28' ' ' PRO . . . . . 0.756 ' HD2' ' HA2' ' L' ' 23' ' ' GLY . 39.3 Cg_endo -68.27 58.2 0.95 Allowed 'Trans proline' 0 C--N 1.353 0.797 0 C-N-CA 123.284 2.656 . . . . 0.0 112.85 -178.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 29' ' ' LYS . . . . . 0.525 ' HG2' ' H ' ' J' ' 30' ' ' THR . 63.6 tttt -157.82 -161.51 1.04 Allowed 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 30' ' ' THR . . . . . 0.525 ' H ' ' HG2' ' J' ' 29' ' ' LYS . 12.0 t . . . . . 0 C--O 1.254 1.328 0 CA-C-O 117.616 -1.183 . . . . 0.0 108.34 179.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.325 0 N-CA-C 111.76 -0.536 . . . . 0.0 111.76 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' K' K ' 2' ' ' ILE . . . . . 0.414 HG22 HG21 ' K' ' 3' ' ' VAL . 3.5 tt -61.03 -50.89 78.71 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 CA-C-N 116.97 0.385 . . . . 0.0 111.751 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' K' K ' 3' ' ' VAL . . . . . 0.614 HG23 ' CE1' ' L' ' 26' ' ' TYR . 19.1 t -68.93 -19.73 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.498 0.666 . . . . 0.0 110.753 -179.658 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' K' K ' 4' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -80.79 -60.46 2.3 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.064 179.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 5' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -58.54 -53.3 59.84 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.672 -0.695 . . . . 0.0 112.454 -179.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 6' ' ' CYS . . . . . . . . . . . . . 84.0 m -68.47 -2.98 9.85 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -178.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 7' ' ' CYS . . . . . . . . . . . . . 24.6 t -116.55 -29.19 6.21 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.14 -0.624 . . . . 0.0 111.019 179.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 8' ' ' THR . . . . . 0.506 ' O ' HG23 ' H' ' 2' ' ' VAL . 30.5 p -82.53 -22.34 35.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.748 0.308 . . . . 0.0 111.236 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' K' K ' 9' ' ' SER . . . . . 0.933 ' HA ' HG13 ' H' ' 2' ' ' VAL . 38.1 m -147.82 -5.36 0.47 Allowed 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.672 -0.411 . . . . 0.0 111.705 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' K' K ' 10' ' ' ILE . . . . . 0.814 HD12 ' HB ' ' H' ' 2' ' ' VAL . 1.9 mp 66.91 133.29 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 CA-C-O 121.58 0.705 . . . . 0.0 111.658 179.149 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' K' K ' 11' ' ' CYS . . . . . . . . . . . . . 55.9 m -95.36 153.87 17.47 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.615 -179.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 12' ' ' SER . . . . . . . . . . . . . 26.1 m -89.75 177.54 6.49 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.51 179.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 13' ' ' LEU . . . . . 0.668 HD13 HG11 ' L' ' 18' ' ' VAL . 59.0 tp -49.21 -60.94 2.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.899 -0.591 . . . . 0.0 112.587 -178.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -64.65 -32.18 73.73 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -178.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -63.1 -44.83 94.57 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.664 0.268 . . . . 0.0 111.084 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 16' ' ' LEU . . . . . 0.801 HD21 HD22 ' L' ' 15' ' ' LEU . 89.3 mt -66.15 -36.89 84.31 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.861 -179.547 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' K' K ' 17' ' ' GLU . . . . . 0.543 ' HA ' ' SG ' ' K' ' 20' ' ' CYS . 36.4 tt0 -59.83 -21.23 60.63 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.602 -179.086 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' K' K ' 18' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -70.66 -11.4 60.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.176 179.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 19' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -107.51 6.01 27.67 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -178.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 20' ' ' CYS . . . . . 0.543 ' SG ' ' HA ' ' K' ' 17' ' ' GLU . 65.1 m -70.72 142.23 51.48 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 179.261 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' K' K ' 21' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 . . . . . 0 C--O 1.246 0.898 0 CA-C-O 118.234 -0.888 . . . . 0.0 109.745 -179.902 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' L' L ' 1' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.481 1.095 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 2' ' ' VAL . . . . . 0.928 HG13 ' HA ' ' C' ' 9' ' ' SER . 20.9 m -90.88 87.07 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.797 0.808 . . . . 0.0 110.87 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' L' L ' 3' ' ' ASN . . . . . . . . . . . . . 30.3 t-20 -169.48 -43.49 0.02 OUTLIER 'General case' 0 CA--C 1.512 -0.487 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -179.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 4' ' ' GLN . . . . . 0.495 ' HA ' ' HB3' ' L' ' 7' ' ' CYS . 51.3 tt0 -55.71 -35.6 66.26 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.718 179.298 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' L' L ' 5' ' ' HIS . . . . . . . . . . . . . 75.2 t60 -65.1 -20.52 66.51 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.518 179.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 6' ' ' LEU . . . . . . . . . . . . . 36.0 mt -105.61 -24.92 12.46 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.696 0.76 . . . . 0.0 109.911 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 7' ' ' CYS . . . . . 0.537 ' SG ' HD23 ' L' ' 11' ' ' LEU . 0.0 OUTLIER -78.32 -44.64 24.69 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 114.725 -1.125 . . . . 0.0 111.297 -178.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' L' L ' 8' ' ' GLY . . . . . 0.606 ' HA2' ' HG ' ' L' ' 11' ' ' LEU . . . -58.15 -28.68 61.66 Favored Glycine 0 N--CA 1.45 -0.404 0 CA-C-N 116.036 -0.529 . . . . 0.0 114.121 -179.441 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' L' L ' 9' ' ' SER . . . . . 0.522 ' HB2' ' HG2' ' J' ' 13' ' ' GLU . 13.2 p -67.26 -12.63 60.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.923 0.392 . . . . 0.0 111.543 -179.43 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' L' L ' 10' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -109.68 -18.89 13.36 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.349 -179.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 11' ' ' LEU . . . . . 0.606 ' HG ' ' HA2' ' L' ' 8' ' ' GLY . 3.0 mt -72.31 -32.65 66.74 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 178.409 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' L' L ' 12' ' ' VAL . . . . . 0.678 HG22 HG22 ' J' ' 12' ' ' VAL . 2.5 m -65.59 -37.13 79.28 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-N 115.293 -0.867 . . . . 0.0 111.523 179.227 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' L' L ' 13' ' ' GLU . . . . . 0.585 ' HA ' ' CE2' ' L' ' 16' ' ' TYR . 21.9 mt-10 -61.95 -41.07 97.56 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 121.471 0.653 . . . . 0.0 109.292 179.607 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' L' L ' 14' ' ' ALA . . . . . 0.614 ' HB3' HD23 ' F' ' 17' ' ' LEU . . . -73.2 -33.2 65.24 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.586 178.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' L' L ' 15' ' ' LEU . . . . . 0.801 HD22 HD21 ' K' ' 16' ' ' LEU . 16.4 mt -58.16 -57.5 12.57 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.237 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' L' L ' 16' ' ' TYR . . . . . 0.651 ' HB2' ' HG3' ' J' ' 28' ' ' PRO . 4.2 p90 -63.59 -25.6 68.31 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 120.422 -0.511 . . . . 0.0 110.641 -179.034 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' L' L ' 17' ' ' LEU . . . . . 0.591 HD23 ' HB3' ' F' ' 14' ' ' ALA . 49.4 tp -72.97 -46.89 49.8 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.948 179.495 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' L' L ' 18' ' ' VAL . . . . . 0.668 HG11 HD13 ' K' ' 13' ' ' LEU . 42.6 t -63.81 -42.62 96.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.392 178.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' L' L ' 19' ' ' CYS . . . . . 0.731 ' HB3' ' HB2' ' L' ' 22' ' ' ARG . 80.7 m -68.52 -18.83 64.45 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.312 179.183 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' L' L ' 20' ' ' GLY . . . . . 0.424 ' O ' ' HB2' ' L' ' 21' ' ' GLU . . . 65.1 62.65 4.75 Favored Glycine 0 C--N 1.33 0.234 0 C-N-CA 121.041 -0.6 . . . . 0.0 112.536 179.129 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' L' L ' 21' ' ' GLU . . . . . 0.424 ' HB2' ' O ' ' L' ' 20' ' ' GLY . 81.3 mt-10 74.34 -3.87 2.45 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.576 0.751 . . . . 0.0 111.755 -179.359 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' L' L ' 22' ' ' ARG . . . . . 0.731 ' HB2' ' HB3' ' L' ' 19' ' ' CYS . 77.4 mtm180 -77.78 147.65 35.19 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 177.09 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' L' L ' 23' ' ' GLY . . . . . 0.756 ' HA2' ' HD2' ' J' ' 28' ' ' PRO . . . -76.02 -178.79 44.99 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.126 -1.035 . . . . 0.0 112.835 -179.113 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' L' L ' 24' ' ' PHE . . . . . 0.532 ' HE2' ' HB3' ' L' ' 16' ' ' TYR . 25.0 p90 -166.95 167.32 14.83 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 179.683 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' L' L ' 25' ' ' PHE . . . . . . . . . . . . . 11.1 p90 -108.82 126.03 52.6 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 178.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 26' ' ' TYR . . . . . 0.614 ' CE1' HG23 ' K' ' 3' ' ' VAL . 83.2 t80 -119.0 110.65 17.36 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.986 0.422 . . . . 0.0 110.845 -179.14 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' L' L ' 27' ' ' THR . . . . . 0.585 ' O ' HG22 ' K' ' 3' ' ' VAL . 5.1 p -118.96 95.82 49.64 Favored Pre-proline 0 C--N 1.315 -0.894 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.607 179.449 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' L' L ' 28' ' ' PRO . . . . . 0.756 ' HD2' ' HA2' ' J' ' 23' ' ' GLY . 41.6 Cg_endo -68.3 58.24 0.96 Allowed 'Trans proline' 0 C--N 1.353 0.781 0 C-N-CA 123.222 2.615 . . . . 0.0 113.027 -178.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' L' L ' 29' ' ' LYS . . . . . . . . . . . . . 66.6 tttt . . . . . 0 C--N 1.317 -0.835 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 -179.539 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . 0.459 ' O ' ' HG2' ' A' ' 5' ' ' GLN . . . . . . . . 0 N--CA 1.482 1.734 0 N-CA-C 112.144 -0.383 . . . . 0.0 112.144 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.479 ' CD1' HD13 ' B' ' 15' ' ' LEU . 10.5 tt -64.48 -41.75 93.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 120.704 0.288 . . . . 0.0 111.482 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.47 HG13 ' HG3' ' B' ' 4' ' ' GLN . 33.0 m -71.33 -16.14 19.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.307 0.575 . . . . 0.0 111.095 179.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -84.56 -30.35 25.13 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.1 -0.954 . . . . 0.0 112.232 -179.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.616 ' HG3' ' SG ' ' A' ' 11' ' ' CYS . 16.7 pt20 -112.99 -32.35 6.39 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 113.172 0.805 . . . . 0.0 113.172 -178.269 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 61.0 m -88.67 -36.58 16.14 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -178.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.595 ' HB2' HD12 ' B' ' 11' ' ' LEU . 43.3 t -83.29 -6.1 59.36 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.021 0.439 . . . . 0.0 111.41 -178.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.1 p -88.46 -56.48 3.29 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.3 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.411 ' O ' ' HB ' ' A' ' 10' ' ' ILE . 33.5 p -144.9 24.56 1.49 Allowed 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.461 -179.404 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.472 HD11 ' HB3' ' F' ' 3' ' ' ASN . 2.1 mp 71.53 138.38 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 CA-C-O 121.492 0.663 . . . . 0.0 111.439 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.616 ' SG ' ' HG3' ' A' ' 5' ' ' GLN . 91.5 m -94.32 156.0 16.73 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.611 179.23 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.4 m -71.92 163.27 28.14 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 178.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.914 HD13 HG12 ' B' ' 18' ' ' VAL . 23.9 tp -51.73 -51.33 56.95 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.215 0.531 . . . . 0.0 111.326 -179.614 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -62.43 -30.35 71.16 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.299 -0.864 . . . . 0.0 112.136 -178.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -70.74 -33.24 70.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.707 0.289 . . . . 0.0 111.276 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 94.6 mt -69.07 -29.19 67.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.929 0.395 . . . . 0.0 110.45 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -66.64 -17.54 64.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.093 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -68.3 -18.27 64.47 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.555 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -102.52 6.34 39.88 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.42 -178.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 2.3 m -72.08 155.34 40.4 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.464 0.65 . . . . 0.0 112.483 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 . . . . . 0 C--O 1.251 1.166 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.277 178.962 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . 0.544 ' O ' HG21 ' B' ' 2' ' ' VAL . 8.5 t80 . . . . . 0 N--CA 1.481 1.084 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . 0.544 HG21 ' O ' ' B' ' 1' ' ' PHE . 33.6 m 42.36 -146.15 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 C-N-CA 124.271 1.028 . . . . 0.0 113.252 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . 0.497 ' HB3' HD11 ' I' ' 10' ' ' ILE . 24.4 t-20 -157.6 176.27 12.84 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 -177.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . 0.773 ' HA ' ' HB3' ' B' ' 7' ' ' CYS . 0.1 OUTLIER -51.34 -27.88 10.85 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 123.445 0.698 . . . . 0.0 110.535 178.815 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 59.2 t60 -59.91 -14.99 18.08 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.29 179.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.486 HD21 ' HA ' ' B' ' 6' ' ' LEU . 14.6 mt -124.46 -13.84 7.01 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.244 0.545 . . . . 0.0 110.098 178.167 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . 0.773 ' HB3' ' HA ' ' B' ' 4' ' ' GLN . 1.7 t -85.44 -42.27 14.64 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.38 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . 0.544 ' HA2' HD13 ' B' ' 11' ' ' LEU . . . -64.26 -25.58 69.88 Favored Glycine 0 N--CA 1.451 -0.338 0 CA-C-N 115.944 -0.571 . . . . 0.0 114.079 -178.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' SER . . . . . 0.697 ' HB2' ' HG2' ' D' ' 13' ' ' GLU . 78.4 p -64.18 -17.88 63.95 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.064 0.459 . . . . 0.0 111.321 -179.193 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . 0.701 ' HA ' ' HG3' ' B' ' 13' ' ' GLU . 92.5 m-70 -105.58 -19.57 13.73 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.383 -179.713 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.595 HD12 ' HB2' ' A' ' 7' ' ' CYS . 54.9 mt -68.89 -38.94 79.96 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 177.551 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.658 HG22 HG22 ' D' ' 12' ' ' VAL . 15.3 m -68.9 -27.68 36.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 CA-C-N 114.683 -1.144 . . . . 0.0 112.385 -179.736 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.713 ' HG2' ' HB2' ' D' ' 9' ' ' SER . 24.4 mt-10 -59.25 -49.57 77.33 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.447 0.641 . . . . 0.0 109.558 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.2 -30.0 63.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.548 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.631 ' HB2' ' HA ' ' B' ' 12' ' ' VAL . 4.5 mt -55.22 -61.5 2.28 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.202 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . 0.906 ' HB2' ' HG3' ' D' ' 28' ' ' PRO . 3.3 p90 -72.13 -19.91 61.71 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.179 -0.609 . . . . 0.0 111.32 -178.691 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 9.5 tt -66.77 -45.43 78.53 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 178.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . 0.914 HG12 HD13 ' A' ' 13' ' ' LEU . 69.3 t -73.87 -40.48 53.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.467 178.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 2.3 t -64.97 -32.27 73.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.185 -179.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.81 -154.24 23.74 Favored Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.495 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -81.77 60.15 4.55 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.249 0.547 . . . . 0.0 111.03 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 66.0 mtt180 -121.11 -103.49 0.4 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.7 0.762 . . . . 0.0 110.36 179.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . 0.703 ' HA2' ' HD2' ' D' ' 28' ' ' PRO . . . 168.64 171.76 34.78 Favored Glycine 0 N--CA 1.439 -1.136 0 N-CA-C 109.67 -1.372 . . . . 0.0 109.67 -179.677 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . 0.757 ' CE1' ' HB3' ' B' ' 16' ' ' TYR . 11.4 p90 -160.12 160.6 33.18 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 117.435 0.617 . . . . 0.0 111.163 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . 0.534 ' HD1' ' HD1' ' D' ' 25' ' ' PHE . 15.8 m-85 -104.26 104.28 14.16 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.985 -1.007 . . . . 0.0 108.625 179.583 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.45 ' OH ' ' HA3' ' B' ' 8' ' ' GLY . 78.0 t80 -101.41 132.37 47.02 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.724 -179.483 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' THR . . . . . 0.428 ' C ' ' H ' ' B' ' 29' ' ' LYS . 6.5 p -123.44 96.97 43.09 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.225 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . 0.899 ' HG3' ' HB2' ' D' ' 16' ' ' TYR . 96.2 Cg_endo -77.8 34.99 0.49 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.715 2.276 . . . . 0.0 111.645 179.259 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.428 ' H ' ' C ' ' B' ' 27' ' ' THR . 87.2 tttt -105.89 133.18 51.02 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.538 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 23.7 m . . . . . 0 C--O 1.246 0.899 0 CA-C-O 118.527 -0.749 . . . . 0.0 109.56 -179.48 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 1' ' ' GLY . . . . . 0.469 ' O ' ' HG2' ' C' ' 5' ' ' GLN . . . . . . . . 0 N--CA 1.479 1.546 0 N-CA-C 111.553 -0.619 . . . . 0.0 111.553 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 2' ' ' ILE . . . . . 0.467 ' CD1' HD13 ' D' ' 15' ' ' LEU . 10.2 tt -66.06 -41.46 89.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 117.007 0.404 . . . . 0.0 111.342 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 3' ' ' VAL . . . . . 0.48 HG13 ' HG3' ' D' ' 4' ' ' GLN . 33.5 m -70.44 -18.63 21.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.243 0.545 . . . . 0.0 110.814 179.641 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -81.68 -31.44 32.21 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.215 -0.902 . . . . 0.0 112.414 -179.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 5' ' ' GLN . . . . . 0.594 ' HG3' ' SG ' ' C' ' 11' ' ' CYS . 16.4 pt20 -112.64 -30.19 7.19 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 113.464 0.912 . . . . 0.0 113.464 -178.09 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 61.0 m -90.86 -35.85 14.54 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -178.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 7' ' ' CYS . . . . . 0.565 ' HB2' HD12 ' D' ' 11' ' ' LEU . 43.9 t -83.18 -7.2 59.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.951 0.405 . . . . 0.0 111.176 -179.241 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 1.2 p -87.27 -57.16 3.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 122.325 -0.234 . . . . 0.0 111.522 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 9' ' ' SER . . . . . 0.421 ' O ' ' HB ' ' C' ' 10' ' ' ILE . 25.5 p -144.13 24.7 1.61 Allowed 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 -179.401 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . 0.49 HD11 ' HB3' ' L' ' 3' ' ' ASN . 2.0 mp 71.53 138.03 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 CA-C-O 121.451 0.643 . . . . 0.0 111.422 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 11' ' ' CYS . . . . . 0.594 ' SG ' ' HG3' ' C' ' 5' ' ' GLN . 96.0 m -93.54 158.55 15.65 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.349 179.322 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 15.8 m -74.9 163.29 27.81 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 178.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 13' ' ' LEU . . . . . 0.903 HD13 HG12 ' D' ' 18' ' ' VAL . 23.0 tp -51.43 -50.42 59.76 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.25 0.548 . . . . 0.0 111.514 -179.528 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -64.06 -28.48 69.81 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.318 -0.856 . . . . 0.0 112.223 -178.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -72.58 -31.86 65.55 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.724 0.297 . . . . 0.0 111.199 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 91.5 mt -70.0 -30.17 67.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.836 0.351 . . . . 0.0 110.319 179.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -65.87 -16.97 64.32 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.21 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -69.47 -18.03 63.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.504 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -102.33 6.12 40.24 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.483 -178.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 2.9 m -73.1 152.46 41.2 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 . . . . . 0 C--O 1.251 1.169 0 CA-C-N 115.135 -0.938 . . . . 0.0 109.295 178.659 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' D' D ' 1' ' ' PHE . . . . . 0.547 ' O ' HG21 ' D' ' 2' ' ' VAL . 9.4 t80 . . . . . 0 N--CA 1.48 1.042 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 2' ' ' VAL . . . . . 0.547 HG21 ' O ' ' D' ' 1' ' ' PHE . 33.4 m 42.93 -146.42 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 C-N-CA 124.423 1.089 . . . . 0.0 113.203 -179.697 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 3' ' ' ASN . . . . . 0.513 ' HB3' HD11 ' G' ' 10' ' ' ILE . 24.7 t-20 -156.99 177.32 11.65 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 110.094 -0.335 . . . . 0.0 110.094 -177.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 4' ' ' GLN . . . . . 0.775 ' HA ' ' HB3' ' D' ' 7' ' ' CYS . 0.1 OUTLIER -52.52 -27.56 16.97 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 123.25 0.62 . . . . 0.0 110.493 178.628 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' D' D ' 5' ' ' HIS . . . . . . . . . . . . . 60.0 t60 -59.85 -15.24 19.59 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.292 179.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 6' ' ' LEU . . . . . 0.426 HD21 ' HA ' ' D' ' 6' ' ' LEU . 14.8 mt -123.97 -14.54 7.1 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.327 0.584 . . . . 0.0 110.103 178.133 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 7' ' ' CYS . . . . . 0.775 ' HB3' ' HA ' ' D' ' 4' ' ' GLN . 1.7 t -84.62 -42.33 15.49 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.59 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 8' ' ' GLY . . . . . 0.536 ' HA2' HD13 ' D' ' 11' ' ' LEU . . . -64.13 -25.03 69.26 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 121.312 -0.47 . . . . 0.0 114.271 -178.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 9' ' ' SER . . . . . 0.713 ' HB2' ' HG2' ' B' ' 13' ' ' GLU . 77.4 p -64.85 -18.12 64.87 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.953 0.406 . . . . 0.0 111.451 -178.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 10' ' ' HIS . . . . . 0.711 ' HA ' ' HG3' ' D' ' 13' ' ' GLU . 92.4 m-70 -104.99 -19.75 13.74 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.359 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 11' ' ' LEU . . . . . 0.565 HD12 ' HB2' ' C' ' 7' ' ' CYS . 58.8 mt -68.86 -38.81 80.01 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 177.757 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 12' ' ' VAL . . . . . 0.658 HG22 HG22 ' B' ' 12' ' ' VAL . 15.4 m -69.12 -27.97 37.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 114.728 -1.124 . . . . 0.0 112.218 -179.698 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 13' ' ' GLU . . . . . 0.711 ' HG3' ' HA ' ' D' ' 10' ' ' HIS . 23.8 mt-10 -59.07 -49.28 78.47 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 121.359 0.599 . . . . 0.0 109.475 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.34 -30.2 63.18 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.377 -0.828 . . . . 0.0 110.709 179.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 15' ' ' LEU . . . . . 0.627 ' HB2' ' HA ' ' D' ' 12' ' ' VAL . 4.6 mt -55.24 -62.1 1.89 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.996 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 16' ' ' TYR . . . . . 0.899 ' HB2' ' HG3' ' B' ' 28' ' ' PRO . 3.3 p90 -71.22 -20.48 62.25 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 120.321 -0.552 . . . . 0.0 111.277 -178.62 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 9.4 tt -66.71 -44.94 80.32 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 178.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . 0.903 HG12 HD13 ' C' ' 13' ' ' LEU . 69.8 t -74.3 -40.76 50.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.109 178.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 19' ' ' CYS . . . . . . . . . . . . . 2.0 t -64.41 -32.2 73.72 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.19 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.16 -152.93 22.52 Favored Glycine 0 N--CA 1.444 -0.821 0 C-N-CA 120.527 -0.844 . . . . 0.0 112.42 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -83.15 58.92 4.68 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.173 0.511 . . . . 0.0 110.972 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 22' ' ' ARG . . . . . . . . . . . . . 69.6 mtt180 -120.23 -103.1 0.41 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.81 0.814 . . . . 0.0 110.461 179.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 23' ' ' GLY . . . . . 0.666 ' HA2' ' HD2' ' B' ' 28' ' ' PRO . . . 168.48 171.42 34.3 Favored Glycine 0 N--CA 1.437 -1.261 0 CA-C-N 114.281 -1.327 . . . . 0.0 109.866 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 24' ' ' PHE . . . . . 0.753 ' CE1' ' HB3' ' D' ' 16' ' ' TYR . 10.9 p90 -159.8 160.25 33.62 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.473 0.654 . . . . 0.0 111.536 -179.708 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 25' ' ' PHE . . . . . 0.534 ' HD1' ' HD1' ' B' ' 25' ' ' PHE . 15.2 m-85 -103.76 104.01 13.97 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.933 -1.03 . . . . 0.0 108.985 179.534 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 26' ' ' TYR . . . . . 0.449 ' OH ' ' HA3' ' D' ' 8' ' ' GLY . 76.7 t80 -101.06 131.98 46.71 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.458 -0.497 . . . . 0.0 110.723 -179.459 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 27' ' ' THR . . . . . 0.433 ' C ' ' H ' ' D' ' 29' ' ' LYS . 4.9 p -123.54 95.99 44.24 Favored Pre-proline 0 C--N 1.32 -0.711 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.289 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 28' ' ' PRO . . . . . 0.906 ' HG3' ' HB2' ' B' ' 16' ' ' TYR . 98.1 Cg_endo -77.14 35.58 0.5 Allowed 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 123.083 2.522 . . . . 0.0 111.627 179.247 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 29' ' ' LYS . . . . . 0.433 ' H ' ' C ' ' D' ' 27' ' ' THR . 87.5 tttt -106.41 132.63 52.22 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.342 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 26.8 m . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.553 -0.737 . . . . 0.0 109.788 -179.332 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' E' E ' 1' ' ' GLY . . . . . 0.508 ' O ' ' HG2' ' E' ' 5' ' ' GLN . . . . . . . . 0 N--CA 1.487 2.096 0 N-CA-C 111.869 -0.493 . . . . 0.0 111.869 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 2' ' ' ILE . . . . . 0.475 ' CD1' HD13 ' F' ' 15' ' ' LEU . 10.6 tt -67.27 -41.89 87.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.771 0.32 . . . . 0.0 111.147 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 3' ' ' VAL . . . . . 0.492 HG13 ' HG3' ' F' ' 4' ' ' GLN . 33.9 m -70.84 -17.2 20.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.221 0.534 . . . . 0.0 110.957 179.656 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 4' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -82.72 -31.34 28.54 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.208 -0.905 . . . . 0.0 112.356 -179.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 5' ' ' GLN . . . . . 0.596 ' HG3' ' SG ' ' E' ' 11' ' ' CYS . 16.2 pt20 -112.43 -31.43 6.81 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 113.234 0.828 . . . . 0.0 113.234 -177.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 6' ' ' CYS . . . . . . . . . . . . . 60.6 m -89.63 -35.99 15.53 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -178.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 7' ' ' CYS . . . . . 0.584 ' HB2' HD12 ' F' ' 11' ' ' LEU . 43.2 t -83.26 -7.08 59.65 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.046 0.45 . . . . 0.0 111.409 -179.242 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 1.2 p -87.28 -56.96 3.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 122.206 -0.309 . . . . 0.0 111.438 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 9' ' ' SER . . . . . 0.41 ' O ' ' HB ' ' E' ' 10' ' ' ILE . 12.2 p -144.76 25.56 1.45 Allowed 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.748 0.277 . . . . 0.0 111.748 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 10' ' ' ILE . . . . . 0.496 HD11 ' HB3' ' J' ' 3' ' ' ASN . 2.0 mp 71.04 137.53 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 CA-C-O 121.494 0.664 . . . . 0.0 111.834 179.672 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 11' ' ' CYS . . . . . 0.596 ' SG ' ' HG3' ' E' ' 5' ' ' GLN . 91.8 m -93.27 155.94 17.11 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.764 179.216 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 12' ' ' SER . . . . . . . . . . . . . 9.5 m -72.06 162.87 28.84 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 178.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 13' ' ' LEU . . . . . 0.894 HD13 HG12 ' F' ' 18' ' ' VAL . 23.4 tp -51.4 -50.39 59.71 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.214 0.53 . . . . 0.0 111.605 -179.593 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -64.15 -28.12 69.55 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.409 -0.814 . . . . 0.0 112.258 -178.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -72.63 -32.45 65.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.767 0.318 . . . . 0.0 110.968 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 16' ' ' LEU . . . . . . . . . . . . . 91.9 mt -69.41 -30.01 67.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.898 0.38 . . . . 0.0 110.501 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 17' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -66.53 -16.37 64.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.155 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 18' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -69.6 -17.74 63.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.462 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 19' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -102.76 6.39 39.34 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.529 -178.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 20' ' ' CYS . . . . . . . . . . . . . 2.3 m -72.31 154.05 41.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.296 0.569 . . . . 0.0 112.446 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 21' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 . . . . . 0 C--O 1.252 1.201 0 CA-C-N 115.133 -0.939 . . . . 0.0 109.626 179.184 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' F' F ' 1' ' ' PHE . . . . . 0.524 ' O ' HG21 ' F' ' 2' ' ' VAL . 9.3 t80 . . . . . 0 N--CA 1.48 1.037 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 2' ' ' VAL . . . . . 0.524 HG21 ' O ' ' F' ' 1' ' ' PHE . 33.9 m 42.05 -146.18 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 124.313 1.045 . . . . 0.0 113.261 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 3' ' ' ASN . . . . . 0.472 ' HB3' HD11 ' A' ' 10' ' ' ILE . 24.3 t-20 -157.36 176.68 12.36 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.521 -0.308 . . . . 0.0 110.208 -178.069 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 4' ' ' GLN . . . . . 0.794 ' HA ' ' HB3' ' F' ' 7' ' ' CYS . 0.1 OUTLIER -51.93 -27.5 13.28 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 123.516 0.726 . . . . 0.0 110.519 178.759 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' F' F ' 5' ' ' HIS . . . . . . . . . . . . . 62.1 t60 -60.46 -14.51 19.71 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.144 179.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 6' ' ' LEU . . . . . 0.467 ' HA ' HD21 ' F' ' 6' ' ' LEU . 14.7 mt -124.34 -15.03 6.81 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.35 0.595 . . . . 0.0 110.047 178.175 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 7' ' ' CYS . . . . . 0.794 ' HB3' ' HA ' ' F' ' 4' ' ' GLN . 1.8 t -84.22 -43.17 15.17 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.346 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 8' ' ' GLY . . . . . 0.543 ' HA2' HD13 ' F' ' 11' ' ' LEU . . . -63.22 -25.38 68.24 Favored Glycine 0 N--CA 1.449 -0.47 0 N-CA-C 114.266 0.466 . . . . 0.0 114.266 -179.048 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 9' ' ' SER . . . . . 0.719 ' HB2' ' HG2' ' H' ' 13' ' ' GLU . 79.2 p -64.82 -17.73 64.5 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.049 0.452 . . . . 0.0 111.426 -179.047 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 10' ' ' HIS . . . . . 0.701 ' HA ' ' HG3' ' F' ' 13' ' ' GLU . 92.9 m-70 -105.54 -19.27 13.83 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.397 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 11' ' ' LEU . . . . . 0.584 HD12 ' HB2' ' E' ' 7' ' ' CYS . 57.2 mt -69.15 -38.89 79.0 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 177.49 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 12' ' ' VAL . . . . . 0.639 HG22 HG22 ' H' ' 12' ' ' VAL . 15.3 m -68.95 -27.59 36.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 114.695 -1.139 . . . . 0.0 112.304 -179.685 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 13' ' ' GLU . . . . . 0.701 ' HG3' ' HA ' ' F' ' 10' ' ' HIS . 23.6 mt-10 -59.25 -49.56 77.37 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 121.342 0.591 . . . . 0.0 109.583 179.669 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.21 -30.46 63.52 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.71 179.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 15' ' ' LEU . . . . . 0.636 ' HB2' ' HA ' ' F' ' 12' ' ' VAL . 4.5 mt -55.03 -61.59 2.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.903 -0.589 . . . . 0.0 112.189 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 16' ' ' TYR . . . . . 0.904 ' HB2' ' HG3' ' H' ' 28' ' ' PRO . 3.6 p90 -71.98 -20.21 61.76 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 120.169 -0.612 . . . . 0.0 111.182 -178.676 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 9.3 tt -66.52 -45.35 79.8 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . 0.894 HG12 HD13 ' E' ' 13' ' ' LEU . 70.7 t -73.75 -41.24 54.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.317 178.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 19' ' ' CYS . . . . . . . . . . . . . 2.0 t -64.03 -32.51 74.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.047 -179.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.53 -154.02 23.78 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.159 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 21' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -81.53 60.59 4.6 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.353 0.597 . . . . 0.0 110.927 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 22' ' ' ARG . . . . . . . . . . . . . 63.2 mtt180 -121.92 -103.56 0.39 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.788 0.804 . . . . 0.0 110.225 179.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 23' ' ' GLY . . . . . 0.665 ' HA2' ' HD2' ' H' ' 28' ' ' PRO . . . 168.46 171.1 33.95 Favored Glycine 0 N--CA 1.44 -1.094 0 N-CA-C 109.803 -1.319 . . . . 0.0 109.803 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 24' ' ' PHE . . . . . 0.768 ' CE1' ' HB3' ' F' ' 16' ' ' TYR . 11.3 p90 -159.45 160.3 34.61 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.375 0.607 . . . . 0.0 111.363 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 25' ' ' PHE . . . . . 0.525 ' HD1' ' HD1' ' H' ' 25' ' ' PHE . 15.5 m-85 -103.77 104.85 14.92 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.916 -1.038 . . . . 0.0 108.664 179.379 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 26' ' ' TYR . . . . . 0.444 ' OH ' ' HA3' ' F' ' 8' ' ' GLY . 77.7 t80 -101.98 131.97 48.08 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.353 -0.539 . . . . 0.0 110.66 -179.587 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 27' ' ' THR . . . . . 0.428 ' C ' ' H ' ' F' ' 29' ' ' LYS . 5.9 p -123.38 97.38 42.68 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.063 179.728 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 28' ' ' PRO . . . . . 0.889 ' HG3' ' HB2' ' H' ' 16' ' ' TYR . 98.6 Cg_endo -77.89 34.7 0.49 Allowed 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 123.042 2.495 . . . . 0.0 111.587 179.386 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 29' ' ' LYS . . . . . 0.428 ' H ' ' C ' ' F' ' 27' ' ' THR . 86.5 tttt -104.76 135.65 45.74 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.111 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 30' ' ' THR . . . . . . . . . . . . . 24.6 m . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.744 -0.646 . . . . 0.0 109.68 -179.622 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' G' G ' 1' ' ' GLY . . . . . 0.496 ' O ' ' HG2' ' G' ' 5' ' ' GLN . . . . . . . . 0 N--CA 1.491 2.344 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 2' ' ' ILE . . . . . 0.471 ' CD1' HD13 ' H' ' 15' ' ' LEU . 9.8 tt -67.64 -41.26 85.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.892 0.377 . . . . 0.0 111.035 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' G' G ' 3' ' ' VAL . . . . . 0.474 HG13 ' HG3' ' H' ' 4' ' ' GLN . 33.8 m -70.97 -16.47 19.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.257 0.551 . . . . 0.0 111.082 179.596 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' G' G ' 4' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -84.61 -29.99 25.32 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.234 -0.894 . . . . 0.0 112.079 -178.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 5' ' ' GLN . . . . . 0.588 ' HG3' ' SG ' ' G' ' 11' ' ' CYS . 16.4 pt20 -113.48 -30.56 6.82 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 -178.093 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' G' G ' 6' ' ' CYS . . . . . . . . . . . . . 61.1 m -90.95 -35.4 14.72 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -178.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 7' ' ' CYS . . . . . 0.588 ' HB2' HD12 ' H' ' 11' ' ' LEU . 46.0 t -83.96 -6.09 59.35 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.039 0.447 . . . . 0.0 111.322 -179.173 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' G' G ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -88.19 -56.54 3.28 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.376 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' G' G ' 9' ' ' SER . . . . . 0.412 ' O ' ' HB ' ' G' ' 10' ' ' ILE . 29.1 p -145.33 25.04 1.39 Allowed 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 121.038 -0.265 . . . . 0.0 111.597 -179.592 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' G' G ' 10' ' ' ILE . . . . . 0.513 HD11 ' HB3' ' D' ' 3' ' ' ASN . 2.1 mp 71.72 139.22 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 CA-C-O 121.525 0.679 . . . . 0.0 111.647 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' G' G ' 11' ' ' CYS . . . . . 0.588 ' SG ' ' HG3' ' G' ' 5' ' ' GLN . 94.0 m -94.87 156.5 16.32 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.459 179.42 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' G' G ' 12' ' ' SER . . . . . . . . . . . . . 5.9 m -72.62 163.45 28.04 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 178.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 13' ' ' LEU . . . . . 0.899 HD13 HG12 ' H' ' 18' ' ' VAL . 23.2 tp -51.59 -50.97 59.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.248 0.547 . . . . 0.0 111.638 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -62.99 -30.13 71.36 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.96 -178.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -70.77 -32.57 69.74 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.736 0.303 . . . . 0.0 111.266 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 16' ' ' LEU . . . . . . . . . . . . . 93.5 mt -69.76 -28.53 65.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.986 0.422 . . . . 0.0 110.629 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 17' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -68.08 -16.0 63.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.225 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 18' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -69.42 -20.06 63.79 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.322 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 19' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -100.26 6.1 44.65 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.795 -178.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 20' ' ' CYS . . . . . . . . . . . . . 2.9 m -73.0 153.77 40.78 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -179.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 21' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 . . . . . 0 C--O 1.251 1.146 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.413 178.911 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' H' H ' 1' ' ' PHE . . . . . 0.54 ' O ' HG21 ' H' ' 2' ' ' VAL . 9.7 t80 . . . . . 0 N--CA 1.482 1.126 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 2' ' ' VAL . . . . . 0.54 HG21 ' O ' ' H' ' 1' ' ' PHE . 33.8 m 42.66 -146.17 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 C-N-CA 124.181 0.992 . . . . 0.0 113.207 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' H' H ' 3' ' ' ASN . . . . . 0.473 ' HB3' HD11 ' K' ' 10' ' ' ILE . 24.4 t-20 -157.4 176.84 12.15 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 -177.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' H' H ' 4' ' ' GLN . . . . . 0.78 ' HA ' ' HB3' ' H' ' 7' ' ' CYS . 0.1 OUTLIER -51.85 -28.34 15.58 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 123.413 0.685 . . . . 0.0 110.394 178.623 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' H' H ' 5' ' ' HIS . . . . . . . . . . . . . 61.1 t60 -59.59 -15.12 16.41 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.269 179.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 6' ' ' LEU . . . . . 0.441 HD21 ' HA ' ' H' ' 6' ' ' LEU . 14.7 mt -124.08 -14.09 7.15 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.335 0.588 . . . . 0.0 110.02 178.151 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' H' H ' 7' ' ' CYS . . . . . 0.78 ' HB3' ' HA ' ' H' ' 4' ' ' GLN . 1.7 t -85.05 -42.51 14.78 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.368 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' H' H ' 8' ' ' GLY . . . . . 0.565 ' HA2' HD13 ' H' ' 11' ' ' LEU . . . -64.17 -25.27 69.52 Favored Glycine 0 N--CA 1.452 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 113.961 -178.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' H' H ' 9' ' ' SER . . . . . 0.697 ' HB2' ' HG2' ' F' ' 13' ' ' GLU . 77.3 p -64.66 -17.42 64.04 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.0 0.429 . . . . 0.0 111.419 -179.025 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' H' H ' 10' ' ' HIS . . . . . 0.686 ' HA ' ' HG3' ' H' ' 13' ' ' GLU . 92.9 m-70 -105.71 -19.89 13.62 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.447 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' H' H ' 11' ' ' LEU . . . . . 0.588 HD12 ' HB2' ' G' ' 7' ' ' CYS . 55.6 mt -68.57 -38.78 81.0 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 177.599 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' H' H ' 12' ' ' VAL . . . . . 0.639 HG22 HG22 ' F' ' 12' ' ' VAL . 15.5 m -68.99 -27.75 36.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 114.778 -1.101 . . . . 0.0 112.229 -179.638 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' H' H ' 13' ' ' GLU . . . . . 0.719 ' HG2' ' HB2' ' F' ' 9' ' ' SER . 24.1 mt-10 -59.1 -49.54 77.48 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-O 121.387 0.613 . . . . 0.0 109.465 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' H' H ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.39 -29.9 62.92 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.788 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 15' ' ' LEU . . . . . 0.613 ' HB2' ' HA ' ' H' ' 12' ' ' VAL . 4.5 mt -55.34 -61.9 2.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.89 -0.595 . . . . 0.0 112.128 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' H' H ' 16' ' ' TYR . . . . . 0.889 ' HB2' ' HG3' ' F' ' 28' ' ' PRO . 3.6 p90 -71.62 -20.07 62.03 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.128 -0.629 . . . . 0.0 111.064 -178.62 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 9.4 tt -66.86 -44.73 80.23 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 178.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . 0.899 HG12 HD13 ' G' ' 13' ' ' LEU . 69.7 t -74.86 -39.26 45.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.319 178.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' H' H ' 19' ' ' CYS . . . . . . . . . . . . . 2.3 t -66.05 -31.45 72.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.162 -179.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.52 -152.49 22.61 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.577 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 21' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -83.34 58.76 4.67 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.352 0.596 . . . . 0.0 110.848 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 22' ' ' ARG . . . . . . . . . . . . . 69.9 mtt180 -119.82 -104.03 0.4 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.565 0.698 . . . . 0.0 110.381 179.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 23' ' ' GLY . . . . . 0.68 ' HA2' ' HD2' ' F' ' 28' ' ' PRO . . . 169.59 171.63 35.38 Favored Glycine 0 N--CA 1.437 -1.236 0 N-CA-C 109.652 -1.379 . . . . 0.0 109.652 -179.645 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' H' H ' 24' ' ' PHE . . . . . 0.761 ' CE1' ' HB3' ' H' ' 16' ' ' TYR . 11.0 p90 -160.07 159.99 32.59 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 117.506 0.653 . . . . 0.0 111.282 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' H' H ' 25' ' ' PHE . . . . . 0.525 ' HD1' ' HD1' ' F' ' 25' ' ' PHE . 15.1 m-85 -103.72 103.45 13.35 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.011 179.508 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' H' H ' 26' ' ' TYR . . . . . 0.454 ' OH ' ' HA3' ' H' ' 8' ' ' GLY . 77.0 t80 -100.09 133.29 44.69 Favored 'General case' 0 C--N 1.318 -0.793 0 C-N-CA 120.354 -0.539 . . . . 0.0 110.782 -179.627 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' H' H ' 27' ' ' THR . . . . . 0.428 ' C ' ' H ' ' H' ' 29' ' ' LYS . 4.5 p -124.61 96.56 40.76 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.066 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' H' H ' 28' ' ' PRO . . . . . 0.904 ' HG3' ' HB2' ' F' ' 16' ' ' TYR . 99.0 Cg_endo -77.89 35.61 0.53 Allowed 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.983 2.455 . . . . 0.0 111.717 179.505 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' H' H ' 29' ' ' LYS . . . . . 0.428 ' H ' ' C ' ' H' ' 27' ' ' THR . 86.5 tttt -106.12 133.55 50.65 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.332 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' H' H ' 30' ' ' THR . . . . . . . . . . . . . 26.0 m . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.92 -0.562 . . . . 0.0 109.811 -179.481 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' I' I ' 1' ' ' GLY . . . . . 0.464 ' O ' ' HG2' ' I' ' 5' ' ' GLN . . . . . . . . 0 N--CA 1.492 2.375 0 N-CA-C 111.837 -0.505 . . . . 0.0 111.837 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 2' ' ' ILE . . . . . 0.464 ' CD1' HD13 ' J' ' 15' ' ' LEU . 10.5 tt -64.89 -42.12 93.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 117.074 0.437 . . . . 0.0 111.425 -179.58 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' I' I ' 3' ' ' VAL . . . . . 0.495 HG13 ' HG3' ' J' ' 4' ' ' GLN . 33.3 m -70.28 -17.94 21.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 121.364 0.602 . . . . 0.0 111.076 179.733 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' I' I ' 4' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -82.74 -30.04 29.31 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.216 -0.902 . . . . 0.0 112.227 -179.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 5' ' ' GLN . . . . . 0.575 ' HG3' ' SG ' ' I' ' 11' ' ' CYS . 16.4 pt20 -113.76 -31.15 6.54 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 -178.296 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' I' I ' 6' ' ' CYS . . . . . . . . . . . . . 60.6 m -89.92 -36.08 15.22 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -178.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 7' ' ' CYS . . . . . 0.609 ' HB2' HD12 ' J' ' 11' ' ' LEU . 45.3 t -83.6 -5.78 59.27 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.96 0.41 . . . . 0.0 111.331 -179.06 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' I' I ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -88.32 -57.45 2.92 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.235 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' I' I ' 9' ' ' SER . . . . . 0.405 ' O ' ' HB ' ' I' ' 10' ' ' ILE . 14.5 p -144.76 26.07 1.42 Allowed 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.681 0.252 . . . . 0.0 111.681 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' I' I ' 10' ' ' ILE . . . . . 0.497 HD11 ' HB3' ' B' ' 3' ' ' ASN . 2.1 mp 71.13 137.46 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 CA-C-O 121.586 0.707 . . . . 0.0 111.886 179.58 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' I' I ' 11' ' ' CYS . . . . . 0.575 ' SG ' ' HG3' ' I' ' 5' ' ' GLN . 92.1 m -93.39 155.78 17.17 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.617 179.302 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' I' I ' 12' ' ' SER . . . . . . . . . . . . . 11.0 m -72.38 163.05 28.63 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 178.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 13' ' ' LEU . . . . . 0.889 HD13 HG12 ' J' ' 18' ' ' VAL . 24.0 tp -50.86 -51.0 55.66 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.4 0.619 . . . . 0.0 111.749 -179.763 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -63.46 -28.21 69.81 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.259 -0.882 . . . . 0.0 112.41 -178.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -73.01 -32.14 64.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.746 0.308 . . . . 0.0 111.012 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 16' ' ' LEU . . . . . . . . . . . . . 93.3 mt -69.7 -29.53 66.96 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.951 0.405 . . . . 0.0 110.469 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 17' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -67.03 -16.16 64.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.318 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 18' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -68.97 -20.0 64.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.989 0.423 . . . . 0.0 111.174 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 19' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -100.4 6.2 44.42 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.709 -178.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 20' ' ' CYS . . . . . . . . . . . . . 2.2 m -72.67 153.0 41.41 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.347 0.594 . . . . 0.0 112.477 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 21' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 . . . . . 0 C--O 1.251 1.181 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.037 178.742 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' J' J ' 1' ' ' PHE . . . . . 0.535 ' O ' HG21 ' J' ' 2' ' ' VAL . 10.2 t80 . . . . . 0 N--CA 1.483 1.184 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 2' ' ' VAL . . . . . 0.535 HG21 ' O ' ' J' ' 1' ' ' PHE . 34.0 m 42.4 -145.91 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 C-N-CA 124.416 1.087 . . . . 0.0 113.219 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' J' J ' 3' ' ' ASN . . . . . 0.496 ' HB3' HD11 ' E' ' 10' ' ' ILE . 24.5 t-20 -157.93 176.16 12.9 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 -177.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' J' J ' 4' ' ' GLN . . . . . 0.799 ' HA ' ' HB3' ' J' ' 7' ' ' CYS . 0.1 OUTLIER -51.23 -28.17 10.86 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 123.423 0.689 . . . . 0.0 110.492 178.691 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' J' J ' 5' ' ' HIS . . . . . . . . . . . . . 59.5 t60 -59.56 -15.36 17.81 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.352 179.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 6' ' ' LEU . . . . . 0.476 HD21 ' HA ' ' J' ' 6' ' ' LEU . 14.9 mt -124.02 -13.94 7.21 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.39 0.614 . . . . 0.0 110.141 178.055 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' J' J ' 7' ' ' CYS . . . . . 0.799 ' HB3' ' HA ' ' J' ' 4' ' ' GLN . 1.6 t -85.44 -41.93 14.95 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.373 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' J' J ' 8' ' ' GLY . . . . . 0.544 ' HA2' HD13 ' J' ' 11' ' ' LEU . . . -64.37 -25.72 70.14 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 121.322 -0.466 . . . . 0.0 114.156 -178.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' J' J ' 9' ' ' SER . . . . . 0.687 ' HB2' ' HG2' ' L' ' 13' ' ' GLU . 78.5 p -64.11 -18.21 64.19 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.869 0.366 . . . . 0.0 111.317 -179.066 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' J' J ' 10' ' ' HIS . . . . . 0.702 ' HA ' ' HG3' ' J' ' 13' ' ' GLU . 92.9 m-70 -105.25 -19.06 13.92 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.967 0.413 . . . . 0.0 110.431 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' J' J ' 11' ' ' LEU . . . . . 0.609 HD12 ' HB2' ' I' ' 7' ' ' CYS . 57.8 mt -69.22 -38.87 78.78 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 177.596 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' J' J ' 12' ' ' VAL . . . . . 0.648 HG22 HG22 ' L' ' 12' ' ' VAL . 15.5 m -69.13 -27.73 36.27 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 CA-C-N 114.613 -1.176 . . . . 0.0 112.303 -179.608 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' J' J ' 13' ' ' GLU . . . . . 0.702 ' HG3' ' HA ' ' J' ' 10' ' ' HIS . 24.3 mt-10 -59.17 -49.38 78.07 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.296 0.57 . . . . 0.0 109.554 179.711 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' J' J ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.26 -30.41 63.42 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.606 179.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 15' ' ' LEU . . . . . 0.618 ' HB2' ' HA ' ' J' ' 12' ' ' VAL . 4.5 mt -54.91 -61.49 2.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.891 -0.595 . . . . 0.0 112.109 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' J' J ' 16' ' ' TYR . . . . . 0.903 ' HB2' ' HG3' ' L' ' 28' ' ' PRO . 3.8 p90 -72.26 -20.33 61.55 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.17 -0.612 . . . . 0.0 111.092 -178.51 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 9.4 tt -66.4 -44.95 81.61 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 178.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 18' ' ' VAL . . . . . 0.889 HG12 HD13 ' I' ' 13' ' ' LEU . 70.1 t -74.45 -41.26 49.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.15 179.039 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' J' J ' 19' ' ' CYS . . . . . . . . . . . . . 2.0 t -63.57 -33.31 75.32 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.157 -179.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.47 -154.68 23.57 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.212 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 21' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -81.04 60.99 4.44 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.087 0.47 . . . . 0.0 110.865 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 22' ' ' ARG . . . . . . . . . . . . . 68.3 mtt180 -122.02 -102.53 0.4 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.809 0.814 . . . . 0.0 110.343 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 23' ' ' GLY . . . . . 0.669 ' HA2' ' HD2' ' L' ' 28' ' ' PRO . . . 167.4 170.38 32.15 Favored Glycine 0 N--CA 1.44 -1.099 0 N-CA-C 109.698 -1.361 . . . . 0.0 109.698 -179.494 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' J' J ' 24' ' ' PHE . . . . . 0.767 ' CE1' ' HB3' ' J' ' 16' ' ' TYR . 11.0 p90 -159.36 160.37 34.93 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 117.394 0.597 . . . . 0.0 111.437 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' J' J ' 25' ' ' PHE . . . . . 0.54 ' HD1' ' HD1' ' L' ' 25' ' ' PHE . 14.6 m-85 -103.44 104.51 14.6 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.03 -0.986 . . . . 0.0 108.893 179.585 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' J' J ' 26' ' ' TYR . . . . . 0.446 ' OH ' ' HA3' ' J' ' 8' ' ' GLY . 76.8 t80 -101.39 133.08 46.55 Favored 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 120.377 -0.529 . . . . 0.0 110.562 -179.588 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' J' J ' 27' ' ' THR . . . . . 0.435 ' C ' ' H ' ' J' ' 29' ' ' LYS . 4.8 p -124.52 96.23 41.59 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.134 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' J' J ' 28' ' ' PRO . . . . . 0.913 ' HG3' ' HB2' ' L' ' 16' ' ' TYR . 88.5 Cg_endo -77.2 34.96 0.47 Allowed 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 123.062 2.508 . . . . 0.0 111.708 179.305 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' J' J ' 29' ' ' LYS . . . . . 0.435 ' H ' ' C ' ' J' ' 27' ' ' THR . 86.7 tttt -105.54 134.0 49.38 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.419 -0.809 . . . . 0.0 109.509 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' J' J ' 30' ' ' THR . . . . . . . . . . . . . 25.8 m . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.725 -0.655 . . . . 0.0 109.865 -179.542 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' K' K ' 1' ' ' GLY . . . . . 0.477 ' O ' ' HG2' ' K' ' 5' ' ' GLN . . . . . . . . 0 N--CA 1.486 1.971 0 N-CA-C 112.209 -0.356 . . . . 0.0 112.209 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 2' ' ' ILE . . . . . 0.462 ' CD1' HD13 ' L' ' 15' ' ' LEU . 10.3 tt -64.74 -42.29 94.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.842 0.354 . . . . 0.0 111.484 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' K' K ' 3' ' ' VAL . . . . . 0.478 HG13 ' HG3' ' L' ' 4' ' ' GLN . 33.5 m -69.68 -18.92 22.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 121.323 0.582 . . . . 0.0 111.193 179.521 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' K' K ' 4' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -81.68 -31.32 32.29 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.203 -0.908 . . . . 0.0 112.303 -179.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 5' ' ' GLN . . . . . 0.601 ' HG3' ' SG ' ' K' ' 11' ' ' CYS . 16.4 pt20 -112.35 -30.82 7.03 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 -178.02 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' K' K ' 6' ' ' CYS . . . . . . . . . . . . . 60.3 m -90.52 -35.81 14.86 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -178.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 7' ' ' CYS . . . . . 0.597 ' HB2' HD12 ' L' ' 11' ' ' LEU . 44.8 t -83.41 -6.79 59.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.961 0.41 . . . . 0.0 111.213 -179.232 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' K' K ' 8' ' ' THR . . . . . . . . . . . . . 1.2 p -87.53 -56.06 3.52 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.535 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 9' ' ' SER . . . . . 0.412 ' O ' ' HB ' ' K' ' 10' ' ' ILE . 22.7 p -145.36 24.25 1.43 Allowed 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -179.077 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' K' K ' 10' ' ' ILE . . . . . 0.473 HD11 ' HB3' ' H' ' 3' ' ' ASN . 2.0 mp 71.6 137.42 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 CA-C-O 121.618 0.723 . . . . 0.0 111.673 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' K' K ' 11' ' ' CYS . . . . . 0.601 ' SG ' ' HG3' ' K' ' 5' ' ' GLN . 92.5 m -93.34 156.26 16.9 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.617 179.211 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' K' K ' 12' ' ' SER . . . . . . . . . . . . . 8.3 m -72.32 164.45 26.28 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 178.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 13' ' ' LEU . . . . . 0.897 HD13 HG12 ' L' ' 18' ' ' VAL . 22.6 tp -52.77 -50.88 62.65 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.262 0.554 . . . . 0.0 111.583 -179.506 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -63.2 -29.2 70.59 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.291 -0.868 . . . . 0.0 112.086 -178.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -71.72 -32.04 67.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.712 0.292 . . . . 0.0 111.135 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 16' ' ' LEU . . . . . . . . . . . . . 94.2 mt -70.31 -29.43 66.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.907 0.384 . . . . 0.0 110.41 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 17' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -66.58 -16.98 64.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.216 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 18' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -68.65 -19.16 64.39 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.482 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 19' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 -101.76 6.6 41.81 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.495 -178.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 20' ' ' CYS . . . . . . . . . . . . . 2.1 m -73.3 153.05 40.71 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 21' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 . . . . . 0 C--O 1.252 1.189 0 CA-C-N 115.1 -0.955 . . . . 0.0 109.184 178.83 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' L' L ' 1' ' ' PHE . . . . . 0.526 ' O ' HG21 ' L' ' 2' ' ' VAL . 9.3 t80 . . . . . 0 N--CA 1.482 1.16 0 N-CA-C 110.132 -0.322 . . . . 0.0 110.132 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 2' ' ' VAL . . . . . 0.526 HG21 ' O ' ' L' ' 1' ' ' PHE . 34.0 m 41.59 -146.35 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 C-N-CA 124.284 1.034 . . . . 0.0 113.274 -179.679 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' L' L ' 3' ' ' ASN . . . . . 0.49 ' HB3' HD11 ' C' ' 10' ' ' ILE . 24.4 t-20 -157.32 175.64 13.74 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 -178.043 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' L' L ' 4' ' ' GLN . . . . . 0.787 ' HA ' ' HB3' ' L' ' 7' ' ' CYS . 0.1 OUTLIER -50.38 -28.44 8.08 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 123.603 0.761 . . . . 0.0 110.609 178.713 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' L' L ' 5' ' ' HIS . . . . . . . . . . . . . 57.9 t60 -59.58 -14.8 14.73 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.392 179.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 6' ' ' LEU . . . . . 0.449 HD21 ' HA ' ' L' ' 6' ' ' LEU . 14.6 mt -124.6 -14.12 6.88 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.403 0.62 . . . . 0.0 109.919 178.263 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' L' L ' 7' ' ' CYS . . . . . 0.787 ' HB3' ' HA ' ' L' ' 4' ' ' GLN . 1.7 t -85.01 -42.65 14.67 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.429 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' L' L ' 8' ' ' GLY . . . . . 0.55 ' HA2' HD13 ' L' ' 11' ' ' LEU . . . -63.96 -25.85 69.69 Favored Glycine 0 N--CA 1.452 -0.294 0 CA-C-N 116.033 -0.53 . . . . 0.0 114.131 -178.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' L' L ' 9' ' ' SER . . . . . 0.7 ' HB2' ' HG2' ' J' ' 13' ' ' GLU . 73.8 p -64.11 -17.99 63.98 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.945 0.402 . . . . 0.0 111.45 -179.224 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' L' L ' 10' ' ' HIS . . . . . 0.709 ' HA ' ' HG3' ' L' ' 13' ' ' GLU . 93.1 m-70 -105.19 -19.71 13.73 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.067 0.46 . . . . 0.0 110.38 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' L' L ' 11' ' ' LEU . . . . . 0.597 HD12 ' HB2' ' K' ' 7' ' ' CYS . 58.0 mt -68.6 -39.22 81.0 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 177.517 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' L' L ' 12' ' ' VAL . . . . . 0.648 HG22 HG22 ' J' ' 12' ' ' VAL . 15.3 m -68.68 -28.04 38.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 114.662 -1.154 . . . . 0.0 112.175 -179.718 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' L' L ' 13' ' ' GLU . . . . . 0.709 ' HG3' ' HA ' ' L' ' 10' ' ' HIS . 24.0 mt-10 -59.01 -49.32 78.34 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.339 0.59 . . . . 0.0 109.517 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' L' L ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.55 -29.86 62.7 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.619 179.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 15' ' ' LEU . . . . . 0.611 ' HB2' ' HA ' ' L' ' 12' ' ' VAL . 4.5 mt -55.42 -61.52 2.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.824 -0.626 . . . . 0.0 112.094 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' L' L ' 16' ' ' TYR . . . . . 0.913 ' HB2' ' HG3' ' J' ' 28' ' ' PRO . 3.8 p90 -72.11 -20.01 61.7 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 120.107 -0.637 . . . . 0.0 111.197 -178.587 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 9.4 tt -66.37 -45.82 78.82 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 178.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 18' ' ' VAL . . . . . 0.897 HG12 HD13 ' K' ' 13' ' ' LEU . 68.9 t -73.72 -41.21 54.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.265 178.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' L' L ' 19' ' ' CYS . . . . . . . . . . . . . 2.3 t -64.23 -31.46 72.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.202 -179.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.05 -153.37 23.58 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.502 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 21' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -82.33 59.32 4.48 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.173 0.511 . . . . 0.0 111.091 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 22' ' ' ARG . . . . . . . . . . . . . 66.2 mtt180 -120.6 -103.66 0.4 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.719 0.771 . . . . 0.0 110.435 179.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 23' ' ' GLY . . . . . 0.683 ' HA2' ' HD2' ' J' ' 28' ' ' PRO . . . 169.08 170.99 34.35 Favored Glycine 0 N--CA 1.44 -1.067 0 N-CA-C 109.682 -1.367 . . . . 0.0 109.682 -179.642 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' L' L ' 24' ' ' PHE . . . . . 0.761 ' CE1' ' HB3' ' L' ' 16' ' ' TYR . 10.5 p90 -159.68 159.74 33.33 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 117.497 0.649 . . . . 0.0 111.361 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' L' L ' 25' ' ' PHE . . . . . 0.54 ' HD1' ' HD1' ' J' ' 25' ' ' PHE . 15.5 m-85 -103.1 104.79 14.99 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.11 -0.95 . . . . 0.0 108.828 179.541 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' L' L ' 26' ' ' TYR . . . . . 0.453 ' OH ' ' HA3' ' L' ' 8' ' ' GLY . 78.1 t80 -102.05 131.08 48.72 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 120.238 -0.585 . . . . 0.0 110.921 -179.362 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' L' L ' 27' ' ' THR . . . . . 0.436 ' C ' ' H ' ' L' ' 29' ' ' LYS . 8.0 p -122.18 96.91 46.01 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.255 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' L' L ' 28' ' ' PRO . . . . . 0.903 ' HG3' ' HB2' ' J' ' 16' ' ' TYR . 98.6 Cg_endo -77.2 33.95 0.45 Allowed 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 123.136 2.557 . . . . 0.0 111.543 179.035 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' L' L ' 29' ' ' LYS . . . . . 0.436 ' H ' ' C ' ' L' ' 27' ' ' THR . 86.8 tttt . . . . . 0 C--N 1.318 -0.771 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.27 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . 0.704 ' O ' ' HB3' ' A' ' 5' ' ' GLN . . . . . . . . 0 N--CA 1.476 1.364 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.2 tt -91.67 -10.96 9.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 121.231 0.539 . . . . 0.0 111.406 -178.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.527 HG23 ' HA ' ' B' ' 28' ' ' PRO . 20.0 t -96.87 -86.06 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -179.211 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -60.21 -41.13 92.36 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 -177.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.704 ' HB3' ' O ' ' A' ' 1' ' ' GLY . 23.1 tt0 -62.11 -30.56 71.1 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.663 0.268 . . . . 0.0 110.89 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 90.6 m -105.64 10.28 32.97 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -179.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 17.4 t -133.4 39.75 3.21 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.573 0.702 . . . . 0.0 110.497 179.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -125.26 -46.12 1.8 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.615 178.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.441 ' O ' ' HB ' ' A' ' 10' ' ' ILE . 15.3 t -150.06 19.87 0.87 Allowed 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 179.462 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.441 ' HB ' ' O ' ' A' ' 9' ' ' SER . 2.8 mp 74.97 125.31 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.225 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.1 m -75.98 162.61 27.93 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.48 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 41.4 p -89.7 162.76 15.41 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.392 178.214 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.874 HD12 HD12 ' G' ' 13' ' ' LEU . 3.0 tt -57.74 -41.79 82.56 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.968 -179.33 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -64.38 -34.96 79.37 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.07 -0.514 . . . . 0.0 112.24 -178.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -69.37 -39.74 77.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.043 0.449 . . . . 0.0 110.876 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.575 HD21 HD22 ' B' ' 15' ' ' LEU . 86.5 mt -73.85 -23.42 59.61 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.561 -179.325 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -59.34 -33.05 70.67 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -178.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 21.3 p30 -91.69 12.53 20.9 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.878 0.371 . . . . 0.0 111.898 -179.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 15.8 m-30 -107.8 17.6 22.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.353 0.597 . . . . 0.0 110.434 179.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 59.1 m -93.22 175.21 6.86 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.59 179.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.528 ' HB2' ' HB3' ' B' ' 22' ' ' ARG . 4.2 m120 . . . . . 0 C--O 1.242 0.673 0 CA-C-O 118.525 -0.75 . . . . 0.0 110.03 178.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 36.5 t80 . . . . . 0 N--CA 1.48 1.034 0 CA-C-O 120.729 0.299 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 12.3 p -83.73 62.56 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 CA-C-O 122.518 1.151 . . . . 0.0 111.411 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -152.78 -50.46 0.1 Allowed 'General case' 0 C--O 1.216 -0.703 0 CA-C-N 115.047 -0.979 . . . . 0.0 108.656 178.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -49.96 -52.17 35.73 Favored 'General case' 0 N--CA 1.464 0.273 0 O-C-N 123.811 0.694 . . . . 0.0 111.827 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . 0.602 ' CE1' HD23 ' D' ' 17' ' ' LEU . 67.4 t60 -59.7 -39.17 83.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.786 0.327 . . . . 0.0 111.043 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 mt -78.95 -23.49 44.54 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.588 0.709 . . . . 0.0 110.1 -179.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 41.3 t -75.65 -47.05 28.02 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.454 -1.248 . . . . 0.0 110.511 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . 0.536 ' HA2' ' HG ' ' B' ' 11' ' ' LEU . . . -56.97 -32.62 62.67 Favored Glycine 0 N--CA 1.451 -0.317 0 CA-C-N 115.785 -0.643 . . . . 0.0 113.725 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' SER . . . . . 0.492 ' HB2' ' HE1' ' J' ' 10' ' ' HIS . 0.7 OUTLIER -65.89 -1.68 3.18 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.849 0.356 . . . . 0.0 111.772 -179.703 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . 0.497 ' HE1' ' HB2' ' F' ' 9' ' ' SER . 92.0 m-70 -109.92 -35.86 6.04 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 178.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.536 ' HG ' ' HA2' ' B' ' 8' ' ' GLY . 0.7 OUTLIER -66.5 -28.51 68.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.715 179.546 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.656 HG13 HG13 ' D' ' 12' ' ' VAL . 16.3 m -56.24 -48.65 79.16 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.605 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.969 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.478 ' N ' HG21 ' B' ' 12' ' ' VAL . 45.5 mm-40 -56.5 -51.08 69.84 Favored 'General case' 0 N--CA 1.464 0.231 0 O-C-N 123.219 0.324 . . . . 0.0 111.086 179.507 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.17 -52.03 54.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.247 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.575 HD22 HD21 ' A' ' 16' ' ' LEU . 76.2 mt -69.24 -33.71 73.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.331 0.586 . . . . 0.0 110.722 179.451 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . 0.653 ' HB2' ' O ' ' B' ' 12' ' ' VAL . 0.6 OUTLIER -67.05 -20.56 65.85 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.177 -179.188 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.586 HD23 ' CE1' ' D' ' 5' ' ' HIS . 0.5 OUTLIER -89.05 -47.96 7.75 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 178.559 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 62.0 t -69.12 -46.88 77.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.898 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 1.6 m -101.26 32.49 3.25 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.367 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.92 -38.34 93.97 Favored Glycine 0 N--CA 1.451 -0.362 0 CA-C-N 116.148 -0.478 . . . . 0.0 114.285 -178.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -90.21 6.72 41.54 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 117.242 0.521 . . . . 0.0 112.122 -178.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . 0.528 ' HB3' ' HB2' ' A' ' 21' ' ' ASN . 93.8 mtt180 -125.84 -79.18 0.6 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.745 0.783 . . . . 0.0 110.147 178.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 148.32 175.78 21.22 Favored Glycine 0 N--CA 1.439 -1.16 0 CA-C-N 114.373 -1.285 . . . . 0.0 109.983 -179.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 20.3 p90 -140.4 143.05 35.45 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.341 0.591 . . . . 0.0 110.876 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -97.29 106.0 18.25 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 179.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.45 ' CE2' ' HG3' ' B' ' 28' ' ' PRO . 38.3 t80 -97.65 96.71 8.46 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.973 -178.419 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 38.5 m -115.54 97.57 48.93 Favored Pre-proline 0 C--N 1.318 -0.782 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.23 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . 0.527 ' HA ' HG23 ' A' ' 3' ' ' VAL . 16.7 Cg_exo -67.52 -20.47 47.58 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 123.07 2.513 . . . . 0.0 111.816 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.467 ' HZ3' ' HB3' ' B' ' 29' ' ' LYS . 0.0 OUTLIER -69.22 112.67 5.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.396 179.733 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 1.8 p . . . . . 0 C--O 1.247 0.97 0 CA-C-O 119.207 -0.425 . . . . 0.0 110.418 179.725 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 1' ' ' GLY . . . . . 0.692 ' O ' ' HB3' ' C' ' 5' ' ' GLN . . . . . . . . 0 N--CA 1.478 1.486 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 13.6 tt -90.85 -10.63 10.0 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-O 121.412 0.625 . . . . 0.0 111.447 -178.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 3' ' ' VAL . . . . . 0.527 HG23 ' HA ' ' D' ' 28' ' ' PRO . 19.1 t -96.88 -86.49 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -178.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -60.4 -40.66 91.76 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.678 0.621 . . . . 0.0 112.678 -178.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 5' ' ' GLN . . . . . 0.692 ' HB3' ' O ' ' C' ' 1' ' ' GLY . 21.3 tt0 -62.23 -31.38 71.92 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 121.159 -0.216 . . . . 0.0 110.788 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 91.5 m -104.83 9.67 34.74 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -179.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 7' ' ' CYS . . . . . . . . . . . . . 16.8 t -132.59 40.48 3.27 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.58 0.705 . . . . 0.0 110.469 179.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -125.75 -47.21 1.69 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.281 178.736 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 9' ' ' SER . . . . . 0.415 ' O ' ' HB ' ' C' ' 10' ' ' ILE . 18.6 t -149.16 21.48 0.96 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.315 179.322 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . 0.415 ' HB ' ' O ' ' C' ' 9' ' ' SER . 2.9 mp 73.64 125.23 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.36 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 2.8 m -76.02 164.17 26.42 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.482 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 35.9 p -91.13 162.66 14.58 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 178.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 13' ' ' LEU . . . . . 0.907 HD12 HD12 ' I' ' 13' ' ' LEU . 3.0 tt -57.78 -41.78 82.78 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.044 0.45 . . . . 0.0 111.024 -179.205 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -63.97 -35.66 81.42 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.931 -0.577 . . . . 0.0 112.257 -179.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -68.88 -39.64 79.67 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.018 0.437 . . . . 0.0 110.884 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 16' ' ' LEU . . . . . 0.56 HD21 HD22 ' D' ' 15' ' ' LEU . 84.6 mt -73.95 -22.73 59.54 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.562 -179.501 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -60.55 -31.83 70.92 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -178.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 22.0 p30 -93.08 14.66 17.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.015 0.436 . . . . 0.0 111.467 -179.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 15.8 m-30 -110.33 19.38 18.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.303 0.573 . . . . 0.0 110.369 179.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 58.3 m -94.96 175.67 6.55 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.514 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 21' ' ' ASN . . . . . 0.543 ' HB2' ' HB3' ' D' ' 22' ' ' ARG . 4.3 m120 . . . . . 0 C--O 1.247 0.929 0 CA-C-O 118.29 -0.862 . . . . 0.0 110.185 178.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 35.8 t80 . . . . . 0 N--CA 1.484 1.232 0 CA-C-O 120.735 0.302 . . . . 0.0 111.306 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' D' D ' 2' ' ' VAL . . . . . . . . . . . . . 10.7 p -83.16 63.8 0.37 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 CA-C-O 122.492 1.139 . . . . 0.0 111.077 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 3' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -154.59 -50.66 0.09 Allowed 'General case' 0 C--O 1.214 -0.783 0 CA-C-N 115.097 -0.956 . . . . 0.0 108.494 178.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -49.76 -52.56 30.91 Favored 'General case' 0 N--CA 1.465 0.3 0 O-C-N 123.751 0.657 . . . . 0.0 111.658 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 5' ' ' HIS . . . . . 0.586 ' CE1' HD23 ' B' ' 17' ' ' LEU . 63.8 t60 -58.91 -40.25 83.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.793 0.33 . . . . 0.0 111.077 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 6' ' ' LEU . . . . . 0.4 HD12 ' HA ' ' H' ' 7' ' ' CYS . 3.8 mt -78.56 -21.46 48.68 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.455 0.645 . . . . 0.0 110.231 -179.286 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 7' ' ' CYS . . . . . . . . . . . . . 39.0 t -78.0 -46.75 20.18 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.72 -1.127 . . . . 0.0 110.291 -179.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 8' ' ' GLY . . . . . 0.529 ' HA2' ' HG ' ' D' ' 11' ' ' LEU . . . -57.3 -32.12 63.38 Favored Glycine 0 N--CA 1.45 -0.421 0 CA-C-N 115.758 -0.655 . . . . 0.0 113.669 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 9' ' ' SER . . . . . 0.526 ' HB2' ' HE1' ' H' ' 10' ' ' HIS . 0.7 OUTLIER -66.63 0.3 2.39 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.009 0.433 . . . . 0.0 111.86 -179.777 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' D' D ' 10' ' ' HIS . . . . . 0.511 ' HE1' ' HB2' ' L' ' 9' ' ' SER . 91.5 m-70 -111.51 -36.34 5.54 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 178.644 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 11' ' ' LEU . . . . . 0.529 ' HG ' ' HA2' ' D' ' 8' ' ' GLY . 0.7 OUTLIER -66.45 -27.92 68.19 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.71 179.465 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' D' D ' 12' ' ' VAL . . . . . 0.656 HG13 HG13 ' B' ' 12' ' ' VAL . 16.0 m -56.7 -48.58 80.59 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.603 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.918 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 13' ' ' GLU . . . . . 0.466 ' N ' HG21 ' D' ' 12' ' ' VAL . 45.3 mm-40 -56.36 -51.33 68.7 Favored 'General case' 0 N--CA 1.464 0.235 0 O-C-N 123.247 0.342 . . . . 0.0 111.154 179.427 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.46 -51.3 60.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.412 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 15' ' ' LEU . . . . . 0.56 HD22 HD21 ' C' ' 16' ' ' LEU . 76.7 mt -69.68 -33.35 72.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.32 0.581 . . . . 0.0 110.669 179.292 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 16' ' ' TYR . . . . . 0.644 ' HB2' ' O ' ' D' ' 12' ' ' VAL . 0.6 OUTLIER -67.65 -20.02 65.27 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.007 -179.104 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . 0.602 HD23 ' CE1' ' B' ' 5' ' ' HIS . 0.5 OUTLIER -89.28 -48.53 7.3 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.027 0.442 . . . . 0.0 109.865 178.565 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 60.4 t -68.47 -47.01 79.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.996 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 19' ' ' CYS . . . . . . . . . . . . . 1.6 m -101.55 32.94 3.13 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.528 -179.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.27 -37.9 93.73 Favored Glycine 0 CA--C 1.517 0.191 0 CA-C-N 115.997 -0.547 . . . . 0.0 114.214 -178.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -90.9 7.47 39.91 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 117.049 0.424 . . . . 0.0 112.12 -178.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 22' ' ' ARG . . . . . 0.543 ' HB3' ' HB2' ' C' ' 21' ' ' ASN . 94.2 mtt180 -126.94 -77.51 0.58 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.862 0.839 . . . . 0.0 110.373 178.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 23' ' ' GLY . . . . . . . . . . . . . . . 146.14 175.81 19.48 Favored Glycine 0 N--CA 1.438 -1.172 0 CA-C-N 114.398 -1.274 . . . . 0.0 110.18 -178.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 24' ' ' PHE . . . . . . . . . . . . . 18.8 p90 -140.99 143.05 34.24 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.241 0.544 . . . . 0.0 110.928 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 25' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -97.25 105.46 17.61 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 26' ' ' TYR . . . . . 0.422 ' CE2' ' HG3' ' D' ' 28' ' ' PRO . 37.8 t80 -97.15 96.86 8.73 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.543 -0.463 . . . . 0.0 111.135 -178.496 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 27' ' ' THR . . . . . . . . . . . . . 39.0 m -115.74 97.7 49.46 Favored Pre-proline 0 C--N 1.32 -0.692 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.303 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 28' ' ' PRO . . . . . 0.527 ' HA ' HG23 ' C' ' 3' ' ' VAL . 16.5 Cg_exo -67.32 -21.03 48.17 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 123.2 2.6 . . . . 0.0 111.766 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 29' ' ' LYS . . . . . 0.534 ' HB3' ' HZ3' ' D' ' 29' ' ' LYS . 0.0 OUTLIER -67.87 113.42 5.59 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.454 179.413 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 C--O 1.249 1.068 0 CA-C-O 119.075 -0.488 . . . . 0.0 110.369 -179.914 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' E' E ' 1' ' ' GLY . . . . . 0.705 ' O ' ' HB3' ' E' ' 5' ' ' GLN . . . . . . . . 0 N--CA 1.482 1.752 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 2' ' ' ILE . . . . . . . . . . . . . 14.6 tt -91.25 -14.41 8.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-O 121.097 0.475 . . . . 0.0 110.993 -178.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 3' ' ' VAL . . . . . 0.553 HG23 ' HA ' ' F' ' 28' ' ' PRO . 19.4 t -93.6 -87.41 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 112.419 0.525 . . . . 0.0 112.419 -179.311 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 4' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -59.44 -41.15 88.95 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -177.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 5' ' ' GLN . . . . . 0.705 ' HB3' ' O ' ' E' ' 1' ' ' GLY . 22.5 tt0 -61.21 -32.15 71.92 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.665 0.269 . . . . 0.0 110.866 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 6' ' ' CYS . . . . . . . . . . . . . 86.1 m -104.28 10.12 35.7 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -179.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 7' ' ' CYS . . . . . . . . . . . . . 19.4 t -132.92 39.53 3.3 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.492 0.663 . . . . 0.0 110.269 179.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -124.55 -47.89 1.83 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.197 178.659 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 9' ' ' SER . . . . . 0.43 ' O ' ' HB ' ' E' ' 10' ' ' ILE . 20.6 t -148.32 21.36 1.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.868 0.366 . . . . 0.0 110.26 179.174 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 10' ' ' ILE . . . . . 0.43 ' HB ' ' O ' ' E' ' 9' ' ' SER . 2.8 mp 74.4 123.89 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.438 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 11' ' ' CYS . . . . . . . . . . . . . 3.3 m -74.48 163.57 27.6 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.422 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 12' ' ' SER . . . . . . . . . . . . . 33.1 p -90.93 162.05 14.92 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 178.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 13' ' ' LEU . . . . . 0.873 HD12 HD12 ' K' ' 13' ' ' LEU . 3.0 tt -56.71 -42.68 79.58 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.202 -179.206 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -62.97 -36.9 85.04 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.936 -179.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -67.35 -40.22 85.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.968 0.413 . . . . 0.0 111.14 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 16' ' ' LEU . . . . . 0.575 HD21 HD22 ' F' ' 15' ' ' LEU . 84.3 mt -74.02 -21.89 59.79 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.577 -179.378 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 17' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -60.65 -33.27 72.56 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 112.127 0.418 . . . . 0.0 112.127 -178.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 18' ' ' ASN . . . . . . . . . . . . . 21.1 p30 -91.55 13.07 18.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.87 0.367 . . . . 0.0 111.678 -179.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 19' ' ' TYR . . . . . . . . . . . . . 16.2 m-30 -108.08 18.24 21.4 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.318 0.58 . . . . 0.0 110.349 179.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 20' ' ' CYS . . . . . . . . . . . . . 58.3 m -93.84 175.81 6.58 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.589 179.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 21' ' ' ASN . . . . . 0.523 ' HB2' ' HB3' ' F' ' 22' ' ' ARG . 4.0 m120 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.445 -0.788 . . . . 0.0 110.291 179.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 1' ' ' PHE . . . . . . . . . . . . . 36.6 t80 . . . . . 0 N--CA 1.481 1.083 0 CA-C-O 120.883 0.373 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' F' F ' 2' ' ' VAL . . . . . . . . . . . . . 11.2 p -82.21 63.35 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 CA-C-O 122.579 1.18 . . . . 0.0 111.204 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 3' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -153.96 -50.73 0.09 Allowed 'General case' 0 C--O 1.214 -0.807 0 CA-C-N 115.069 -0.968 . . . . 0.0 108.463 178.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 4' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -49.51 -52.4 29.79 Favored 'General case' 0 N--CA 1.462 0.156 0 O-C-N 123.679 0.612 . . . . 0.0 111.836 179.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 5' ' ' HIS . . . . . 0.598 ' CE1' HD23 ' H' ' 17' ' ' LEU . 64.8 t60 -59.07 -40.06 84.03 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.794 0.331 . . . . 0.0 111.093 -179.686 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' F' F ' 6' ' ' LEU . . . . . . . . . . . . . 4.1 mt -78.97 -22.06 46.18 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.551 0.691 . . . . 0.0 110.068 -178.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 7' ' ' CYS . . . . . 0.417 ' HA ' HD12 ' J' ' 6' ' ' LEU . 39.9 t -77.21 -46.78 22.12 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.643 -1.162 . . . . 0.0 110.207 -179.495 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' F' F ' 8' ' ' GLY . . . . . 0.536 ' HA2' ' HG ' ' F' ' 11' ' ' LEU . . . -57.19 -32.29 63.16 Favored Glycine 0 N--CA 1.452 -0.26 0 CA-C-N 115.778 -0.647 . . . . 0.0 113.776 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' F' F ' 9' ' ' SER . . . . . 0.497 ' HB2' ' HE1' ' B' ' 10' ' ' HIS . 0.7 OUTLIER -66.1 -1.64 3.38 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.937 0.399 . . . . 0.0 111.681 -179.6 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' F' F ' 10' ' ' HIS . . . . . 0.5 ' HE1' ' HB2' ' J' ' 9' ' ' SER . 91.8 m-70 -109.66 -36.15 6.02 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 178.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' F' F ' 11' ' ' LEU . . . . . 0.536 ' HG ' ' HA2' ' F' ' 8' ' ' GLY . 0.6 OUTLIER -66.52 -27.88 68.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.769 179.561 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' F' F ' 12' ' ' VAL . . . . . 0.645 HG13 HG13 ' H' ' 12' ' ' VAL . 16.3 m -56.73 -48.73 80.45 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.684 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.803 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' F' F ' 13' ' ' GLU . . . . . 0.476 ' N ' HG21 ' F' ' 12' ' ' VAL . 45.3 mm-40 -56.22 -51.49 67.88 Favored 'General case' 0 N--CA 1.464 0.227 0 O-C-N 123.257 0.348 . . . . 0.0 111.049 179.502 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' F' F ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.3 -51.66 57.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.261 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 15' ' ' LEU . . . . . 0.575 HD22 HD21 ' E' ' 16' ' ' LEU . 77.4 mt -69.32 -33.33 72.98 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.384 0.612 . . . . 0.0 110.789 179.283 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' F' F ' 16' ' ' TYR . . . . . 0.636 ' HB2' ' O ' ' F' ' 12' ' ' VAL . 0.6 OUTLIER -67.37 -20.65 65.59 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.99 -179.115 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' F' F ' 17' ' ' LEU . . . . . 0.57 HD23 ' CE1' ' H' ' 5' ' ' HIS . 0.5 OUTLIER -89.18 -46.96 8.41 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.144 0.497 . . . . 0.0 110.135 178.747 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 60.6 t -70.54 -43.84 77.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.132 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 m -104.66 33.24 3.66 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.117 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.96 -35.05 90.82 Favored Glycine 0 CA--C 1.516 0.099 0 N-CA-C 114.55 0.58 . . . . 0.0 114.55 -178.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 21' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -93.21 7.97 42.12 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 117.104 0.452 . . . . 0.0 112.081 -179.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 22' ' ' ARG . . . . . 0.523 ' HB3' ' HB2' ' E' ' 21' ' ' ASN . 94.3 mtt180 -127.57 -78.99 0.58 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.779 0.8 . . . . 0.0 109.959 178.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' F' F ' 23' ' ' GLY . . . . . . . . . . . . . . . 148.26 175.83 21.22 Favored Glycine 0 N--CA 1.441 -1.014 0 CA-C-N 114.368 -1.287 . . . . 0.0 110.215 -179.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 24' ' ' PHE . . . . . . . . . . . . . 18.7 p90 -140.76 142.89 34.69 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 121.222 0.535 . . . . 0.0 110.737 179.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 25' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -97.2 106.77 19.16 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 179.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 26' ' ' TYR . . . . . 0.44 ' CE2' ' HG3' ' F' ' 28' ' ' PRO . 38.8 t80 -98.64 96.36 7.89 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.932 -178.414 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' F' F ' 27' ' ' THR . . . . . . . . . . . . . 38.9 m -115.28 97.92 49.38 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.444 179.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 28' ' ' PRO . . . . . 0.553 ' HA ' HG23 ' E' ' 3' ' ' VAL . 16.7 Cg_exo -67.72 -20.28 46.53 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 123.244 2.629 . . . . 0.0 111.727 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' F' F ' 29' ' ' LYS . . . . . 0.471 ' HB3' ' HZ3' ' F' ' 29' ' ' LYS . 0.0 OUTLIER -68.38 112.97 5.56 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.336 179.315 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' F' F ' 30' ' ' THR . . . . . . . . . . . . . 1.1 p . . . . . 0 C--O 1.248 0.986 0 CA-C-O 118.994 -0.527 . . . . 0.0 109.746 179.563 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' G' G ' 1' ' ' GLY . . . . . 0.678 ' O ' ' HB3' ' G' ' 5' ' ' GLN . . . . . . . . 0 N--CA 1.481 1.635 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 2' ' ' ILE . . . . . . . . . . . . . 13.0 tt -92.92 -11.5 9.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-O 121.515 0.674 . . . . 0.0 111.164 -178.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 3' ' ' VAL . . . . . 0.519 HG23 ' HA ' ' H' ' 28' ' ' PRO . 18.8 t -95.95 -87.71 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.138 -0.483 . . . . 0.0 112.028 -179.195 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' G' G ' 4' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -59.54 -40.97 88.94 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -178.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 5' ' ' GLN . . . . . 0.678 ' HB3' ' O ' ' G' ' 1' ' ' GLY . 20.7 tt0 -61.16 -31.7 71.43 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 121.107 -0.237 . . . . 0.0 110.674 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' G' G ' 6' ' ' CYS . . . . . . . . . . . . . 88.0 m -104.82 9.97 34.66 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -179.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 7' ' ' CYS . . . . . . . . . . . . . 17.1 t -132.62 39.24 3.37 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.524 0.678 . . . . 0.0 110.459 179.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -124.88 -45.96 1.86 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.462 178.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' G' G ' 9' ' ' SER . . . . . 0.406 ' O ' ' HB ' ' G' ' 10' ' ' ILE . 19.0 t -150.38 21.6 0.83 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.979 0.419 . . . . 0.0 110.259 179.387 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' G' G ' 10' ' ' ILE . . . . . 0.406 ' HB ' ' O ' ' G' ' 9' ' ' SER . 2.8 mp 73.54 125.51 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.53 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' G' G ' 11' ' ' CYS . . . . . . . . . . . . . 3.3 m -76.57 162.69 27.57 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.481 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 12' ' ' SER . . . . . . . . . . . . . 43.7 p -90.01 161.89 15.64 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.471 178.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 13' ' ' LEU . . . . . 0.874 HD12 HD12 ' A' ' 13' ' ' LEU . 3.0 tt -57.07 -41.15 78.28 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.15 -179.027 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -64.84 -35.29 80.64 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.074 -0.512 . . . . 0.0 112.088 -179.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -68.81 -40.45 79.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.989 0.423 . . . . 0.0 110.78 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 16' ' ' LEU . . . . . 0.592 HD21 HD22 ' H' ' 15' ' ' LEU . 86.6 mt -73.24 -22.68 60.37 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.859 -179.381 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' G' G ' 17' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -60.64 -32.71 71.86 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -178.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 18' ' ' ASN . . . . . . . . . . . . . 20.5 p30 -92.36 15.15 14.52 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.938 0.399 . . . . 0.0 111.573 -179.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 19' ' ' TYR . . . . . . . . . . . . . 15.4 m-30 -110.24 18.38 19.97 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.336 0.588 . . . . 0.0 110.242 179.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 20' ' ' CYS . . . . . . . . . . . . . 57.8 m -94.0 175.52 6.68 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.52 179.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 21' ' ' ASN . . . . . 0.496 ' HB2' ' HB3' ' H' ' 22' ' ' ARG . 4.7 m120 . . . . . 0 C--O 1.245 0.85 0 CA-C-O 118.75 -0.643 . . . . 0.0 109.676 178.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 1' ' ' PHE . . . . . . . . . . . . . 35.3 t80 . . . . . 0 N--CA 1.483 1.177 0 CA-C-O 120.766 0.317 . . . . 0.0 111.45 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' H' H ' 2' ' ' VAL . . . . . . . . . . . . . 11.1 p -83.18 64.01 0.38 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 CA-C-O 122.616 1.198 . . . . 0.0 111.022 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 3' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -154.09 -51.15 0.09 Allowed 'General case' 0 C--O 1.215 -0.736 0 CA-C-N 114.899 -1.046 . . . . 0.0 108.466 178.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 4' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -49.34 -52.73 26.19 Favored 'General case' 0 N--CA 1.463 0.212 0 O-C-N 123.807 0.692 . . . . 0.0 111.8 179.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 5' ' ' HIS . . . . . 0.57 ' CE1' HD23 ' F' ' 17' ' ' LEU . 64.3 t60 -58.78 -40.48 84.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.861 0.363 . . . . 0.0 111.176 -179.576 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' H' H ' 6' ' ' LEU . . . . . . . . . . . . . 4.2 mt -77.81 -23.53 49.05 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.452 0.644 . . . . 0.0 110.215 -179.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 7' ' ' CYS . . . . . 0.4 ' HA ' HD12 ' D' ' 6' ' ' LEU . 42.2 t -76.02 -46.99 26.59 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 114.709 -1.132 . . . . 0.0 110.527 -179.537 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' H' H ' 8' ' ' GLY . . . . . 0.547 ' HA2' ' HG ' ' H' ' 11' ' ' LEU . . . -57.09 -32.36 62.87 Favored Glycine 0 N--CA 1.453 -0.206 0 CA-C-N 115.669 -0.696 . . . . 0.0 113.779 -179.734 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' H' H ' 9' ' ' SER . . . . . 0.5 ' HB2' ' HE1' ' L' ' 10' ' ' HIS . 0.7 OUTLIER -65.86 -2.25 3.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.988 0.423 . . . . 0.0 111.756 -179.667 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' H' H ' 10' ' ' HIS . . . . . 0.526 ' HE1' ' HB2' ' D' ' 9' ' ' SER . 92.2 m-70 -109.33 -35.88 6.16 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 178.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' H' H ' 11' ' ' LEU . . . . . 0.547 ' HG ' ' HA2' ' H' ' 8' ' ' GLY . 0.7 OUTLIER -66.52 -28.58 68.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.653 179.477 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' H' H ' 12' ' ' VAL . . . . . 0.645 HG13 HG13 ' F' ' 12' ' ' VAL . 16.4 m -56.07 -49.17 77.19 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.633 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' H' H ' 13' ' ' GLU . . . . . 0.475 ' N ' HG21 ' H' ' 12' ' ' VAL . 44.9 mm-40 -55.82 -51.42 67.55 Favored 'General case' 0 N--CA 1.464 0.259 0 O-C-N 123.293 0.37 . . . . 0.0 111.235 179.392 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' H' H ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.47 -51.07 61.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.473 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 15' ' ' LEU . . . . . 0.592 HD22 HD21 ' G' ' 16' ' ' LEU . 75.8 mt -70.07 -32.88 71.18 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.44 0.638 . . . . 0.0 110.774 179.326 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' H' H ' 16' ' ' TYR . . . . . 0.637 ' HB2' ' O ' ' H' ' 12' ' ' VAL . 0.6 OUTLIER -67.8 -20.6 65.21 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.003 -179.158 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' H' H ' 17' ' ' LEU . . . . . 0.598 HD23 ' CE1' ' F' ' 5' ' ' HIS . 0.6 OUTLIER -88.99 -48.61 7.31 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 178.528 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 59.1 t -68.33 -45.22 82.91 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.326 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 19' ' ' CYS . . . . . . . . . . . . . 1.6 m -103.36 32.32 3.86 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.337 -179.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.89 -37.27 92.32 Favored Glycine 0 CA--C 1.519 0.29 0 CA-C-N 115.882 -0.599 . . . . 0.0 114.573 -178.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 21' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -92.12 7.61 41.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 117.151 0.476 . . . . 0.0 111.908 -178.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 22' ' ' ARG . . . . . 0.496 ' HB3' ' HB2' ' G' ' 21' ' ' ASN . 93.5 mtt180 -126.33 -79.38 0.6 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.691 0.758 . . . . 0.0 110.164 178.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' H' H ' 23' ' ' GLY . . . . . . . . . . . . . . . 148.22 176.58 21.82 Favored Glycine 0 N--CA 1.44 -1.074 0 CA-C-N 114.467 -1.242 . . . . 0.0 110.211 -179.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 24' ' ' PHE . . . . . . . . . . . . . 19.2 p90 -141.73 142.92 33.29 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.19 0.519 . . . . 0.0 110.868 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 25' ' ' PHE . . . . . . . . . . . . . 2.2 p90 -97.32 106.46 18.78 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 179.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 26' ' ' TYR . . . . . 0.444 ' CE2' ' HG3' ' H' ' 28' ' ' PRO . 39.0 t80 -98.17 96.24 7.96 Favored 'General case' 0 C--N 1.318 -0.773 0 C-N-CA 120.574 -0.45 . . . . 0.0 111.095 -178.475 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' H' H ' 27' ' ' THR . . . . . . . . . . . . . 37.0 m -115.01 98.08 49.43 Favored Pre-proline 0 C--N 1.319 -0.725 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.231 179.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 28' ' ' PRO . . . . . 0.519 ' HA ' HG23 ' G' ' 3' ' ' VAL . 15.7 Cg_exo -67.86 -19.98 45.99 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 123.153 2.568 . . . . 0.0 111.749 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' H' H ' 29' ' ' LYS . . . . . 0.457 ' HB3' ' HZ3' ' H' ' 29' ' ' LYS . 0.0 OUTLIER -68.92 113.05 5.98 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 179.483 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' H' H ' 30' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 C--O 1.249 1.037 0 CA-C-O 119.081 -0.485 . . . . 0.0 110.241 179.899 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' I' I ' 1' ' ' GLY . . . . . 0.714 ' O ' ' HB3' ' I' ' 5' ' ' GLN . . . . . . . . 0 N--CA 1.483 1.773 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 2' ' ' ILE . . . . . . . . . . . . . 13.5 tt -91.53 -12.18 9.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-O 121.138 0.494 . . . . 0.0 111.364 -178.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 3' ' ' VAL . . . . . 0.515 HG23 ' HA ' ' J' ' 28' ' ' PRO . 20.6 t -95.33 -86.72 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -179.234 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' I' I ' 4' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -60.32 -41.46 93.55 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 -178.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 5' ' ' GLN . . . . . 0.714 ' HB3' ' O ' ' I' ' 1' ' ' GLY . 21.1 tt0 -60.8 -31.43 70.81 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.553 0.216 . . . . 0.0 110.768 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' I' I ' 6' ' ' CYS . . . . . . . . . . . . . 89.1 m -104.92 9.9 34.47 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 7' ' ' CYS . . . . . . . . . . . . . 17.4 t -133.22 40.64 3.17 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.521 0.676 . . . . 0.0 110.468 179.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -125.86 -46.44 1.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.292 179.039 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' I' I ' 9' ' ' SER . . . . . 0.426 ' O ' ' HB ' ' I' ' 10' ' ' ILE . 14.1 t -150.35 21.57 0.84 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.0 179.29 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' I' I ' 10' ' ' ILE . . . . . 0.426 ' HB ' ' O ' ' I' ' 9' ' ' SER . 2.8 mp 74.04 127.22 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.269 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' I' I ' 11' ' ' CYS . . . . . . . . . . . . . 2.3 m -77.74 163.89 25.74 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.328 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 12' ' ' SER . . . . . . . . . . . . . 24.5 p -91.02 161.96 14.91 Favored 'General case' 0 N--CA 1.445 -0.71 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 178.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 13' ' ' LEU . . . . . 0.907 HD12 HD12 ' C' ' 13' ' ' LEU . 3.1 tt -57.24 -41.7 80.07 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.158 -179.003 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -64.13 -35.87 82.18 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.071 -0.513 . . . . 0.0 112.019 -179.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -68.12 -40.27 82.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.004 0.431 . . . . 0.0 110.891 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 16' ' ' LEU . . . . . 0.573 HD21 HD22 ' J' ' 15' ' ' LEU . 82.7 mt -73.89 -22.71 59.61 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.529 -179.136 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' I' I ' 17' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -60.33 -31.79 70.62 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -178.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 18' ' ' ASN . . . . . . . . . . . . . 20.0 p30 -93.12 13.33 21.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.941 0.401 . . . . 0.0 111.671 -179.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 19' ' ' TYR . . . . . . . . . . . . . 16.2 m-30 -109.12 19.18 19.79 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.176 0.513 . . . . 0.0 110.352 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 20' ' ' CYS . . . . . . . . . . . . . 59.1 m -94.9 175.66 6.56 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.195 179.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 21' ' ' ASN . . . . . 0.513 ' HB2' ' HB3' ' J' ' 22' ' ' ARG . 4.6 m120 . . . . . 0 C--O 1.246 0.885 0 CA-C-O 118.792 -0.623 . . . . 0.0 109.613 178.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 1' ' ' PHE . . . . . . . . . . . . . 36.8 t80 . . . . . 0 N--CA 1.48 1.028 0 CA-C-O 120.639 0.257 . . . . 0.0 111.073 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' J' J ' 2' ' ' VAL . . . . . . . . . . . . . 13.1 p -81.86 63.12 0.31 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 CA-C-O 122.502 1.144 . . . . 0.0 110.977 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 3' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -153.44 -50.68 0.1 Allowed 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 178.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 4' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -49.76 -52.66 30.09 Favored 'General case' 0 N--CA 1.464 0.248 0 O-C-N 123.773 0.671 . . . . 0.0 111.814 179.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 5' ' ' HIS . . . . . 0.582 ' CE1' HD23 ' L' ' 17' ' ' LEU . 66.3 t60 -59.06 -39.76 83.07 Favored 'General case' 0 C--O 1.224 -0.284 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.071 -179.736 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' J' J ' 6' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' F' ' 7' ' ' CYS . 4.4 mt -78.52 -23.14 46.42 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.443 0.639 . . . . 0.0 110.138 -179.183 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' J' J ' 7' ' ' CYS . . . . . . . . . . . . . 38.7 t -76.12 -46.85 26.81 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.618 -1.174 . . . . 0.0 110.649 -179.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 8' ' ' GLY . . . . . 0.544 ' HA2' ' HG ' ' J' ' 11' ' ' LEU . . . -57.41 -32.07 63.75 Favored Glycine 0 N--CA 1.452 -0.24 0 CA-C-N 115.725 -0.67 . . . . 0.0 113.722 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' J' J ' 9' ' ' SER . . . . . 0.5 ' HB2' ' HE1' ' F' ' 10' ' ' HIS . 0.7 OUTLIER -66.18 -2.0 3.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.966 0.412 . . . . 0.0 111.698 -179.81 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' J' J ' 10' ' ' HIS . . . . . 0.492 ' HE1' ' HB2' ' B' ' 9' ' ' SER . 92.3 m-70 -109.35 -35.78 6.18 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 178.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' J' J ' 11' ' ' LEU . . . . . 0.544 ' HG ' ' HA2' ' J' ' 8' ' ' GLY . 0.7 OUTLIER -66.81 -28.43 68.36 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.685 179.64 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' J' J ' 12' ' ' VAL . . . . . 0.644 ' O ' ' HB2' ' J' ' 16' ' ' TYR . 16.8 m -56.16 -48.63 78.95 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.587 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.867 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' J' J ' 13' ' ' GLU . . . . . 0.473 ' N ' HG21 ' J' ' 12' ' ' VAL . 44.2 mm-40 -56.07 -51.73 66.8 Favored 'General case' 0 N--CA 1.465 0.297 0 O-C-N 123.243 0.34 . . . . 0.0 111.003 179.502 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' J' J ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.14 -51.57 57.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.353 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 15' ' ' LEU . . . . . 0.573 HD22 HD21 ' I' ' 16' ' ' LEU . 74.9 mt -69.88 -32.52 70.91 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.449 0.642 . . . . 0.0 110.822 179.48 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' J' J ' 16' ' ' TYR . . . . . 0.644 ' HB2' ' O ' ' J' ' 12' ' ' VAL . 0.6 OUTLIER -68.09 -19.94 64.89 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.06 -179.161 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' J' J ' 17' ' ' LEU . . . . . 0.615 HD23 ' CE1' ' L' ' 5' ' ' HIS . 0.5 OUTLIER -89.62 -48.24 7.42 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 178.481 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 61.6 t -69.26 -43.32 81.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.288 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 m -105.28 32.73 4.06 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.021 -179.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.33 -35.07 90.39 Favored Glycine 0 CA--C 1.519 0.299 0 CA-C-N 115.852 -0.613 . . . . 0.0 114.62 -178.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 21' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -92.63 4.78 52.99 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 117.515 0.657 . . . . 0.0 111.885 -178.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 22' ' ' ARG . . . . . 0.513 ' HB3' ' HB2' ' I' ' 21' ' ' ASN . 94.4 mtt180 -124.14 -78.7 0.6 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.734 0.778 . . . . 0.0 110.4 179.11 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' J' J ' 23' ' ' GLY . . . . . 0.4 ' HA3' ' HA ' ' L' ' 27' ' ' THR . . . 147.79 176.28 21.23 Favored Glycine 0 N--CA 1.44 -1.068 0 CA-C-N 114.413 -1.267 . . . . 0.0 110.181 -179.15 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' J' J ' 24' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -141.3 142.79 33.83 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.294 0.569 . . . . 0.0 110.97 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 25' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -97.09 106.05 18.31 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 179.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 26' ' ' TYR . . . . . 0.436 ' CE2' ' HG3' ' J' ' 28' ' ' PRO . 38.9 t80 -97.82 96.21 8.06 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 120.493 -0.483 . . . . 0.0 111.108 -178.334 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' J' J ' 27' ' ' THR . . . . . . . . . . . . . 46.0 m -115.19 97.7 48.76 Favored Pre-proline 0 C--N 1.321 -0.662 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.411 179.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 28' ' ' PRO . . . . . 0.515 ' HA ' HG23 ' I' ' 3' ' ' VAL . 16.7 Cg_exo -67.17 -19.94 50.25 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 123.281 2.654 . . . . 0.0 111.735 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' J' J ' 29' ' ' LYS . . . . . 0.506 ' HB3' ' HZ3' ' J' ' 29' ' ' LYS . 0.0 OUTLIER -69.5 112.72 6.21 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 179.394 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' J' J ' 30' ' ' THR . . . . . . . . . . . . . 1.4 p . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.932 -0.556 . . . . 0.0 110.548 179.979 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' K' K ' 1' ' ' GLY . . . . . 0.693 ' O ' ' HB3' ' K' ' 5' ' ' GLN . . . . . . . . 0 N--CA 1.485 1.912 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' K' K ' 2' ' ' ILE . . . . . . . . . . . . . 12.5 tt -93.14 -11.21 9.24 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 O-C-N 122.36 -0.494 . . . . 0.0 111.132 -178.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' K' K ' 3' ' ' VAL . . . . . 0.523 HG23 ' HA ' ' L' ' 28' ' ' PRO . 20.6 t -96.91 -85.65 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -179.373 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' K' K ' 4' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -60.9 -41.09 95.41 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -177.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' K' K ' 5' ' ' GLN . . . . . 0.693 ' HB3' ' O ' ' K' ' 1' ' ' GLY . 21.9 tt0 -61.22 -32.72 72.5 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.552 0.215 . . . . 0.0 110.681 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' K' K ' 6' ' ' CYS . . . . . . . . . . . . . 89.3 m -104.09 10.23 36.05 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.362 0.505 . . . . 0.0 112.362 -179.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' K' K ' 7' ' ' CYS . . . . . . . . . . . . . 17.6 t -133.13 39.96 3.24 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.541 0.686 . . . . 0.0 110.214 179.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' K' K ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -125.35 -45.35 1.82 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.459 178.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' K' K ' 9' ' ' SER . . . . . 0.419 ' O ' ' HB ' ' K' ' 10' ' ' ILE . 14.8 t -151.14 22.18 0.75 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.994 0.426 . . . . 0.0 109.884 179.231 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' K' K ' 10' ' ' ILE . . . . . 0.419 ' HB ' ' O ' ' K' ' 9' ' ' SER . 2.8 mp 72.82 126.2 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.307 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' K' K ' 11' ' ' CYS . . . . . . . . . . . . . 2.3 m -76.83 163.75 26.48 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.594 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' K' K ' 12' ' ' SER . . . . . . . . . . . . . 46.9 p -91.75 160.61 15.25 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.565 178.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' K' K ' 13' ' ' LEU . . . . . 0.873 HD12 HD12 ' E' ' 13' ' ' LEU . 2.9 tt -55.25 -42.2 73.17 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.397 -178.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -64.21 -35.48 80.95 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.19 -0.459 . . . . 0.0 112.033 -179.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -68.79 -39.3 80.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.985 0.421 . . . . 0.0 111.103 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' K' K ' 16' ' ' LEU . . . . . 0.593 HD21 HD22 ' L' ' 15' ' ' LEU . 84.4 mt -74.33 -22.68 59.13 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.532 -179.398 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' K' K ' 17' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -60.06 -33.4 72.0 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -178.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' K' K ' 18' ' ' ASN . . . . . . . . . . . . . 20.7 p30 -91.37 12.6 19.98 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.919 0.39 . . . . 0.0 111.659 -179.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' K' K ' 19' ' ' TYR . . . . . . . . . . . . . 16.1 m-30 -107.81 18.44 21.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.326 0.584 . . . . 0.0 110.52 179.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' K' K ' 20' ' ' CYS . . . . . . . . . . . . . 57.4 m -93.87 175.53 6.69 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.531 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' K' K ' 21' ' ' ASN . . . . . 0.522 ' HB2' ' HB3' ' L' ' 22' ' ' ARG . 4.8 m120 . . . . . 0 C--O 1.246 0.887 0 CA-C-O 118.613 -0.708 . . . . 0.0 110.047 178.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' L' L ' 1' ' ' PHE . . . . . . . . . . . . . 37.2 t80 . . . . . 0 N--CA 1.482 1.162 0 CA-C-O 120.831 0.348 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' L' L ' 2' ' ' VAL . . . . . . . . . . . . . 10.4 p -81.69 63.6 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 CA-C-O 122.341 1.067 . . . . 0.0 111.236 179.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' L' L ' 3' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -154.3 -51.34 0.09 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.927 -1.033 . . . . 0.0 108.415 178.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' L' L ' 4' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -49.28 -52.22 28.88 Favored 'General case' 0 N--CA 1.464 0.242 0 O-C-N 123.814 0.696 . . . . 0.0 111.828 179.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' L' L ' 5' ' ' HIS . . . . . 0.615 ' CE1' HD23 ' J' ' 17' ' ' LEU . 66.0 t60 -59.35 -39.48 83.37 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-O 120.783 0.325 . . . . 0.0 111.211 -179.727 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' L' L ' 6' ' ' LEU . . . . . . . . . . . . . 4.5 mt -78.94 -23.36 44.69 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.623 0.725 . . . . 0.0 110.032 -178.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' L' L ' 7' ' ' CYS . . . . . . . . . . . . . 37.5 t -75.93 -47.14 26.39 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.587 -1.188 . . . . 0.0 110.478 -179.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' L' L ' 8' ' ' GLY . . . . . 0.54 ' HA2' ' HG ' ' L' ' 11' ' ' LEU . . . -57.0 -31.87 61.96 Favored Glycine 0 C--N 1.331 0.277 0 CA-C-N 115.773 -0.649 . . . . 0.0 113.821 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' L' L ' 9' ' ' SER . . . . . 0.511 ' HB2' ' HE1' ' D' ' 10' ' ' HIS . 0.7 OUTLIER -66.58 -0.65 2.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.919 0.39 . . . . 0.0 111.822 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' L' L ' 10' ' ' HIS . . . . . 0.5 ' HE1' ' HB2' ' H' ' 9' ' ' SER . 91.6 m-70 -110.8 -36.22 5.76 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 178.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' L' L ' 11' ' ' LEU . . . . . 0.54 ' HG ' ' HA2' ' L' ' 8' ' ' GLY . 0.6 OUTLIER -66.25 -28.28 68.6 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.784 179.471 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' L' L ' 12' ' ' VAL . . . . . 0.628 HG13 HG13 ' J' ' 12' ' ' VAL . 16.5 m -56.39 -48.79 79.35 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.703 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.871 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' L' L ' 13' ' ' GLU . . . . . 0.473 ' N ' HG21 ' L' ' 12' ' ' VAL . 45.4 mm-40 -56.24 -51.14 69.18 Favored 'General case' 0 N--CA 1.465 0.322 0 O-C-N 123.252 0.345 . . . . 0.0 111.202 179.494 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' L' L ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.67 -50.63 62.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.437 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' L' L ' 15' ' ' LEU . . . . . 0.593 HD22 HD21 ' K' ' 16' ' ' LEU . 76.1 mt -70.54 -33.05 70.72 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.308 0.575 . . . . 0.0 110.715 179.32 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' L' L ' 16' ' ' TYR . . . . . 0.628 ' HB2' ' O ' ' L' ' 12' ' ' VAL . 0.6 OUTLIER -67.87 -19.37 65.02 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.518 -0.764 . . . . 0.0 111.25 -179.273 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' L' L ' 17' ' ' LEU . . . . . 0.582 HD23 ' CE1' ' J' ' 5' ' ' HIS . 0.5 OUTLIER -90.15 -48.47 7.15 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 178.456 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 56.5 t -68.93 -44.58 81.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.135 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' L' L ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 m -104.5 33.56 3.49 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.342 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' L' L ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.91 -36.21 92.49 Favored Glycine 0 CA--C 1.518 0.259 0 CA-C-N 116.005 -0.543 . . . . 0.0 114.439 -178.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' L' L ' 21' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -92.09 7.78 40.81 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 117.198 0.499 . . . . 0.0 111.946 -178.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' L' L ' 22' ' ' ARG . . . . . 0.522 ' HB3' ' HB2' ' K' ' 21' ' ' ASN . 93.4 mtt180 -127.2 -79.28 0.59 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.659 0.743 . . . . 0.0 110.021 178.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' L' L ' 23' ' ' GLY . . . . . . . . . . . . . . . 148.06 176.1 21.29 Favored Glycine 0 N--CA 1.44 -1.085 0 CA-C-N 114.374 -1.285 . . . . 0.0 110.152 -179.221 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' L' L ' 24' ' ' PHE . . . . . . . . . . . . . 19.2 p90 -141.03 143.05 34.18 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.357 0.599 . . . . 0.0 110.912 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' L' L ' 25' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -97.21 105.7 17.9 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 179.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' L' L ' 26' ' ' TYR . . . . . 0.422 ' CE2' ' HG3' ' L' ' 28' ' ' PRO . 39.3 t80 -97.7 96.54 8.33 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 120.586 -0.446 . . . . 0.0 111.146 -178.52 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' L' L ' 27' ' ' THR . . . . . 0.4 ' HA ' ' HA3' ' J' ' 23' ' ' GLY . 34.7 m -115.26 98.22 50.02 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.371 179.597 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' L' L ' 28' ' ' PRO . . . . . 0.523 ' HA ' HG23 ' K' ' 3' ' ' VAL . 16.5 Cg_exo -67.8 -20.88 45.34 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 123.046 2.498 . . . . 0.0 111.643 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' L' L ' 29' ' ' LYS . . . . . 0.541 ' HZ3' ' HB3' ' L' ' 29' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 179.397 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.296 0 CA-C-O 119.796 -0.447 . . . . 0.0 112.968 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.875 HG21 ' H ' ' A' ' 3' ' ' VAL . 9.0 tt 32.19 -89.65 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 C-N-CA 125.063 1.345 . . . . 0.0 114.22 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.875 ' H ' HG21 ' A' ' 2' ' ' ILE . 4.6 t -56.1 -54.59 25.54 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.093 0 CA-C-O 120.849 0.357 . . . . 0.0 111.098 -178.783 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -59.02 -38.35 79.04 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.635 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -63.69 -47.28 81.8 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.377 -0.828 . . . . 0.0 111.9 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 76.4 m -83.38 -16.03 47.58 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 -177.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.4 t -77.65 -6.92 55.5 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 120.909 0.385 . . . . 0.0 110.725 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.2 p -68.6 -63.63 1.02 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.706 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.483 ' O ' ' HB ' ' A' ' 10' ' ' ILE . 11.9 t -158.69 35.49 0.22 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.328 -179.606 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.483 ' HB ' ' O ' ' A' ' 9' ' ' SER . 2.4 mp 74.01 139.81 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.946 179.534 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 80.4 m -103.66 175.49 5.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.542 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.501 ' HB3' ' HG3' ' A' ' 15' ' ' GLN . 40.5 t -78.98 147.87 32.77 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 177.235 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.635 ' HG ' HG23 ' B' ' 18' ' ' VAL . 9.9 tt -60.24 -34.98 74.45 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.996 0.427 . . . . 0.0 110.653 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -64.79 -27.1 68.66 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.335 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.501 ' HG3' ' HB3' ' A' ' 12' ' ' SER . 22.4 mt-30 -77.53 -34.56 53.91 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.921 0.391 . . . . 0.0 110.628 179.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.442 HD21 HD22 ' B' ' 15' ' ' LEU . 79.9 mt -66.67 -31.95 72.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.234 179.7 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -58.73 -32.05 68.86 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.853 179.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 57.8 m-20 -73.52 -14.48 61.22 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.434 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -101.93 4.55 40.17 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.925 0.393 . . . . 0.0 110.751 -178.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 18.5 t -91.15 160.94 15.3 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.112 -179.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.439 ' C ' HH21 ' B' ' 22' ' ' ARG . 21.8 t-20 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.534 -0.746 . . . . 0.0 109.847 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . 0.672 ' O ' HG21 ' B' ' 2' ' ' VAL . 51.5 t80 . . . . . 0 N--CA 1.484 1.253 0 N-CA-C 111.165 0.061 . . . . 0.0 111.165 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . 0.672 HG21 ' O ' ' B' ' 1' ' ' PHE . 20.2 m 49.17 -157.53 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 124.255 1.022 . . . . 0.0 112.565 -179.032 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -137.28 175.37 9.67 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.601 0.239 . . . . 0.0 110.778 -178.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . 0.741 ' HA ' ' HB3' ' B' ' 7' ' ' CYS . 6.1 tt0 -50.41 -30.26 12.06 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 124.084 0.954 . . . . 0.0 110.414 178.599 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 77.6 t60 -48.05 -44.83 31.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.046 179.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.484 HD13 HG13 ' B' ' 2' ' ' VAL . 79.3 mt -94.94 -30.05 14.34 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 121.325 0.583 . . . . 0.0 110.504 179.583 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . 0.741 ' HB3' ' HA ' ' B' ' 4' ' ' GLN . 33.0 t -60.25 -38.83 84.7 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.097 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . 0.486 ' HA3' ' OH ' ' B' ' 26' ' ' TYR . . . -69.88 -19.46 75.25 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 121.097 -0.573 . . . . 0.0 113.775 -179.649 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' SER . . . . . 1.036 ' HB2' ' HG2' ' D' ' 13' ' ' GLU . 10.1 p -65.85 -18.88 65.64 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 117.446 0.623 . . . . 0.0 110.534 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -104.59 -19.83 13.86 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.337 -179.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' B' ' 7' ' ' CYS . 44.8 mt -72.59 -34.23 67.27 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 177.086 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.686 HG23 HG23 ' D' ' 12' ' ' VAL . 30.0 m -68.25 -29.9 45.95 Favored 'Isoleucine or valine' 0 C--O 1.232 0.142 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.487 178.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 1.093 ' HG2' ' HB2' ' D' ' 9' ' ' SER . 48.5 mt-10 -60.8 -32.76 72.11 Favored 'General case' 0 CA--C 1.522 -0.126 0 CA-C-O 121.428 0.632 . . . . 0.0 109.581 179.693 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.42 -36.23 22.53 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.911 178.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.505 ' HB2' ' HA ' ' B' ' 12' ' ' VAL . 15.9 mt -57.41 -54.89 41.68 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.738 179.701 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . 0.797 ' CE2' ' HA ' ' B' ' 13' ' ' GLU . 1.7 p90 -65.33 -24.25 67.21 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 120.356 -0.537 . . . . 0.0 110.805 -179.147 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 2.6 tt -69.76 -39.22 76.83 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 109.711 -0.478 . . . . 0.0 109.711 -179.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . 0.635 HG23 ' HG ' ' A' ' 13' ' ' LEU . 58.9 t -69.17 -36.4 72.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 178.087 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . 0.802 ' HB3' ' HB2' ' B' ' 22' ' ' ARG . 84.1 m -69.77 -37.58 76.44 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.319 179.378 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.77 -87.18 1.24 Allowed Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.681 -0.771 . . . . 0.0 111.24 -179.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.523 ' HG2' ' HD2' ' D' ' 29' ' ' LYS . 17.6 tt0 -120.61 33.68 5.49 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.859 0.838 . . . . 0.0 109.401 178.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . 0.802 ' HB2' ' HB3' ' B' ' 19' ' ' CYS . 78.2 mtp180 -121.03 170.84 9.13 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.921 179.559 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -111.18 -175.97 20.3 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.752 -0.737 . . . . 0.0 111.822 179.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . 0.546 ' HE2' ' HB3' ' B' ' 16' ' ' TYR . 13.3 p90 -158.67 163.23 37.07 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.001 0.429 . . . . 0.0 110.739 179.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 13.7 m-30 -100.05 111.31 23.61 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 178.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.503 ' HB2' ' HE1' ' B' ' 24' ' ' PHE . 64.9 t80 -100.74 112.2 24.56 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.883 0.373 . . . . 0.0 111.454 -178.593 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 4.0 p -125.37 95.88 40.17 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.947 178.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -78.03 46.22 2.02 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 123.012 2.475 . . . . 0.0 112.51 -179.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.606 ' HD2' ' HG2' ' D' ' 21' ' ' GLU . 45.6 tttm -163.65 147.72 10.43 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.461 -0.791 . . . . 0.0 109.602 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 18.1 m . . . . . 0 C--O 1.253 1.275 0 CA-C-O 118.01 -0.995 . . . . 0.0 108.907 178.751 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.94 0 CA-C-O 119.97 -0.35 . . . . 0.0 112.442 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 2' ' ' ILE . . . . . 0.855 HG22 ' H ' ' C' ' 3' ' ' VAL . 8.8 tt 31.02 -88.9 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 125.239 1.416 . . . . 0.0 114.351 -179.732 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 3' ' ' VAL . . . . . 0.855 ' H ' HG22 ' C' ' 2' ' ' ILE . 4.1 t -56.61 -54.58 27.06 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.13 0 CA-C-O 121.049 0.452 . . . . 0.0 111.085 -178.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -59.56 -35.25 73.88 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.858 179.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -67.43 -47.04 71.37 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.644 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 73.1 m -83.53 -15.91 47.54 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 -177.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 7' ' ' CYS . . . . . . . . . . . . . 42.3 t -77.51 -6.49 53.78 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.014 0.435 . . . . 0.0 110.476 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 40.8 p -68.36 -65.47 0.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.263 179.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 9' ' ' SER . . . . . 0.471 ' O ' ' HB ' ' C' ' 10' ' ' ILE . 9.6 t -157.86 36.31 0.26 Allowed 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.234 -179.636 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . 0.471 ' HB ' ' O ' ' C' ' 9' ' ' SER . 2.3 mp 74.45 140.28 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.647 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.987 179.363 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 75.7 m -103.62 176.59 5.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.376 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 12' ' ' SER . . . . . 0.494 ' HB3' ' HG3' ' C' ' 15' ' ' GLN . 35.6 t -80.6 147.91 30.53 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 177.069 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 13' ' ' LEU . . . . . 0.668 ' HG ' HG23 ' D' ' 18' ' ' VAL . 10.1 tt -59.95 -34.05 72.74 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.929 0.395 . . . . 0.0 110.607 -179.623 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -65.6 -26.78 67.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.314 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . 0.494 ' HG3' ' HB3' ' C' ' 12' ' ' SER . 22.5 mt-30 -77.73 -34.97 52.36 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.957 0.408 . . . . 0.0 110.675 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 16' ' ' LEU . . . . . 0.451 HD21 HD22 ' D' ' 15' ' ' LEU . 78.0 mt -66.25 -31.76 72.77 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.258 179.762 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 -58.64 -32.71 69.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.933 179.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 61.6 m-20 -73.05 -13.38 61.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.541 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 9.3 m-30 -102.94 3.61 36.57 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.054 0.454 . . . . 0.0 110.608 -178.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 18.3 t -90.65 158.06 17.13 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.076 -179.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 21' ' ' ASN . . . . . 0.443 ' C ' HH21 ' D' ' 22' ' ' ARG . 22.4 t-20 . . . . . 0 C--O 1.247 0.968 0 CA-C-O 118.617 -0.706 . . . . 0.0 109.942 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 1' ' ' PHE . . . . . 0.661 ' O ' HG21 ' D' ' 2' ' ' VAL . 51.2 t80 . . . . . 0 N--CA 1.484 1.24 0 CA-C-O 120.263 0.078 . . . . 0.0 111.167 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 2' ' ' VAL . . . . . 0.661 HG21 ' O ' ' D' ' 1' ' ' PHE . 21.9 m 48.38 -157.78 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 124.447 1.099 . . . . 0.0 112.6 -178.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 3' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -136.98 174.67 10.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 122.293 -0.254 . . . . 0.0 110.674 -178.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 4' ' ' GLN . . . . . 0.735 ' HA ' ' HB3' ' D' ' 7' ' ' CYS . 6.1 tt0 -50.58 -29.09 9.97 Favored 'General case' 0 C--N 1.333 -0.129 0 C-N-CA 124.09 0.956 . . . . 0.0 110.505 178.691 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 5' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -49.21 -43.95 42.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.241 -0.89 . . . . 0.0 111.128 178.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 6' ' ' LEU . . . . . 0.499 HD13 HG13 ' D' ' 2' ' ' VAL . 78.1 mt -95.92 -29.72 14.02 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.44 0.638 . . . . 0.0 110.542 179.412 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 7' ' ' CYS . . . . . 0.735 ' HB3' ' HA ' ' D' ' 4' ' ' GLN . 30.6 t -60.29 -38.98 85.29 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.094 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 8' ' ' GLY . . . . . 0.485 ' HA3' ' OH ' ' D' ' 26' ' ' TYR . . . -69.56 -20.1 75.28 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 121.213 -0.518 . . . . 0.0 113.807 -179.61 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 9' ' ' SER . . . . . 1.093 ' HB2' ' HG2' ' B' ' 13' ' ' GLU . 10.4 p -65.44 -18.85 65.63 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 117.332 0.566 . . . . 0.0 110.648 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 10' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -104.51 -19.93 13.86 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.268 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 11' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' D' ' 7' ' ' CYS . 44.1 mt -72.46 -34.11 67.5 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 177.161 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 12' ' ' VAL . . . . . 0.686 HG23 HG23 ' B' ' 12' ' ' VAL . 26.7 m -68.25 -29.97 46.18 Favored 'Isoleucine or valine' 0 C--O 1.231 0.08 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.449 178.752 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 13' ' ' GLU . . . . . 1.036 ' HG2' ' HB2' ' B' ' 9' ' ' SER . 48.4 mt-10 -60.72 -32.79 72.03 Favored 'General case' 0 CA--C 1.522 -0.119 0 CA-C-O 121.369 0.604 . . . . 0.0 109.536 179.624 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.51 -35.75 22.68 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.886 178.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 15' ' ' LEU . . . . . 0.483 ' HB2' ' HA ' ' D' ' 12' ' ' VAL . 15.7 mt -58.06 -54.58 45.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.728 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 16' ' ' TYR . . . . . 0.778 ' CE2' ' HA ' ' D' ' 13' ' ' GLU . 1.8 p90 -65.4 -24.48 67.22 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.806 -179.113 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 tt -69.05 -41.33 77.77 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 -179.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . 0.668 HG23 ' HG ' ' C' ' 13' ' ' LEU . 57.5 t -66.94 -37.31 79.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.589 0.709 . . . . 0.0 109.266 178.218 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 19' ' ' CYS . . . . . 0.798 ' HB3' ' HB2' ' D' ' 22' ' ' ARG . 85.9 m -69.01 -38.04 79.01 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.168 -0.924 . . . . 0.0 111.348 179.596 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.11 -88.69 1.28 Allowed Glycine 0 N--CA 1.449 -0.461 0 N-CA-C 111.108 -0.797 . . . . 0.0 111.108 -178.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 21' ' ' GLU . . . . . 0.606 ' HG2' ' HD2' ' B' ' 29' ' ' LYS . 18.5 tt0 -119.11 35.05 4.96 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.813 0.816 . . . . 0.0 109.379 178.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 22' ' ' ARG . . . . . 0.798 ' HB2' ' HB3' ' D' ' 19' ' ' CYS . 79.2 mtp180 -122.35 169.11 11.27 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.8 179.628 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 23' ' ' GLY . . . . . . . . . . . . . . . -109.88 -176.67 21.07 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 121.025 -0.607 . . . . 0.0 111.81 179.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 24' ' ' PHE . . . . . 0.549 ' HE2' ' HB3' ' D' ' 16' ' ' TYR . 12.6 p90 -158.51 162.87 37.49 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.06 0.457 . . . . 0.0 110.904 179.667 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 25' ' ' PHE . . . . . . . . . . . . . 13.4 m-30 -99.29 110.17 22.72 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 179.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 26' ' ' TYR . . . . . 0.508 ' HB2' ' HE1' ' D' ' 24' ' ' PHE . 66.3 t80 -99.76 112.99 25.19 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.875 0.369 . . . . 0.0 111.537 -178.784 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 27' ' ' THR . . . . . . . . . . . . . 3.4 p -126.18 95.23 39.46 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.015 179.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 28' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -77.9 48.0 2.51 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 123.118 2.545 . . . . 0.0 112.167 -179.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 29' ' ' LYS . . . . . 0.523 ' HD2' ' HG2' ' B' ' 21' ' ' GLU . 44.5 tttm -165.82 146.86 6.9 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.545 179.748 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 9.9 m . . . . . 0 C--O 1.253 1.266 0 CA-C-O 117.734 -1.126 . . . . 0.0 108.553 178.619 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.07 0 CA-C-O 119.716 -0.491 . . . . 0.0 112.348 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' E' E ' 2' ' ' ILE . . . . . 0.848 HG21 ' H ' ' E' ' 3' ' ' VAL . 8.6 tt 33.75 -89.88 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.746 0 C-N-CA 124.841 1.256 . . . . 0.0 114.157 -179.611 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' E' E ' 3' ' ' VAL . . . . . 0.848 ' H ' HG21 ' E' ' 2' ' ' ILE . 4.1 t -56.03 -54.74 23.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.804 0.335 . . . . 0.0 111.116 -178.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' E' E ' 4' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -58.7 -37.99 77.3 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.708 179.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -64.25 -48.58 75.24 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.818 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 6' ' ' CYS . . . . . . . . . . . . . 73.2 m -82.08 -16.52 49.79 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 -177.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 7' ' ' CYS . . . . . . . . . . . . . 42.6 t -77.17 -7.08 55.24 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.687 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 47.1 p -67.96 -64.16 0.92 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.503 179.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 9' ' ' SER . . . . . 0.483 ' O ' ' HB ' ' E' ' 10' ' ' ILE . 10.8 t -158.81 35.85 0.22 Allowed 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.337 -179.683 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' E' E ' 10' ' ' ILE . . . . . 0.483 ' HB ' ' O ' ' E' ' 9' ' ' SER . 2.4 mp 74.61 139.89 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 CA-C-O 121.341 0.591 . . . . 0.0 111.956 179.445 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' E' E ' 11' ' ' CYS . . . . . . . . . . . . . 77.2 m -103.05 176.9 4.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.499 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 12' ' ' SER . . . . . 0.456 ' HB3' ' HG3' ' E' ' 15' ' ' GLN . 36.6 t -82.03 146.12 29.86 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 177.188 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' E' E ' 13' ' ' LEU . . . . . 0.65 ' HG ' HG23 ' F' ' 18' ' ' VAL . 10.1 tt -57.84 -34.51 69.78 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.936 0.398 . . . . 0.0 110.774 -179.485 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -65.56 -25.89 67.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.454 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 15' ' ' GLN . . . . . 0.456 ' HG3' ' HB3' ' E' ' 12' ' ' SER . 22.8 mt-30 -78.74 -35.16 45.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.838 0.352 . . . . 0.0 110.456 179.761 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' E' E ' 16' ' ' LEU . . . . . 0.43 HD21 HD22 ' F' ' 15' ' ' LEU . 80.0 mt -65.86 -31.93 73.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.38 179.685 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' E' E ' 17' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -58.9 -32.3 69.41 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.86 179.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 18' ' ' ASN . . . . . . . . . . . . . 56.6 m-20 -73.42 -14.18 61.21 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.404 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 19' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -102.37 5.59 39.85 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.169 0.509 . . . . 0.0 110.673 -178.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 20' ' ' CYS . . . . . . . . . . . . . 17.9 t -91.94 160.53 15.22 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.895 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 21' ' ' ASN . . . . . 0.406 ' C ' HH21 ' F' ' 22' ' ' ARG . 22.7 t-20 . . . . . 0 C--O 1.244 0.776 0 CA-C-O 118.518 -0.753 . . . . 0.0 110.282 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 1' ' ' PHE . . . . . 0.68 ' O ' HG21 ' F' ' 2' ' ' VAL . 50.0 t80 . . . . . 0 N--CA 1.483 1.208 0 CA-C-O 120.392 0.139 . . . . 0.0 111.193 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 2' ' ' VAL . . . . . 0.68 HG21 ' O ' ' F' ' 1' ' ' PHE . 22.7 m 49.24 -156.04 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 124.431 1.093 . . . . 0.0 112.637 -179.039 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' F' F ' 3' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -138.76 174.76 10.19 Favored 'General case' 0 C--N 1.322 -0.592 0 O-C-N 122.292 -0.255 . . . . 0.0 110.577 -177.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 4' ' ' GLN . . . . . 0.731 ' HA ' ' HB3' ' F' ' 7' ' ' CYS . 5.9 tt0 -50.52 -29.64 11.04 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 123.966 0.906 . . . . 0.0 110.449 178.614 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' F' F ' 5' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -48.79 -43.98 38.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.119 179.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 6' ' ' LEU . . . . . 0.49 HD13 HG13 ' F' ' 2' ' ' VAL . 79.1 mt -95.9 -29.55 14.13 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.268 0.556 . . . . 0.0 110.525 179.588 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' F' F ' 7' ' ' CYS . . . . . 0.731 ' HB3' ' HA ' ' F' ' 4' ' ' GLN . 31.3 t -60.51 -38.81 85.56 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.092 179.751 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' F' F ' 8' ' ' GLY . . . . . 0.495 ' HA3' ' OH ' ' F' ' 26' ' ' TYR . . . -69.68 -19.94 75.32 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 121.229 -0.51 . . . . 0.0 113.805 -179.673 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' F' F ' 9' ' ' SER . . . . . 1.06 ' HB2' ' HG2' ' H' ' 13' ' ' GLU . 10.6 p -65.6 -19.1 65.78 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 117.486 0.643 . . . . 0.0 110.599 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' F' F ' 10' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -104.29 -20.05 13.89 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.376 -179.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 11' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' F' ' 7' ' ' CYS . 43.5 mt -72.56 -34.1 67.27 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 177.258 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' F' F ' 12' ' ' VAL . . . . . 0.673 HG23 HG23 ' H' ' 12' ' ' VAL . 26.7 m -68.28 -30.02 46.31 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.506 178.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' F' F ' 13' ' ' GLU . . . . . 1.048 ' HG2' ' HB2' ' H' ' 9' ' ' SER . 48.2 mt-10 -60.57 -32.81 71.88 Favored 'General case' 0 CA--C 1.521 -0.145 0 CA-C-O 121.466 0.65 . . . . 0.0 109.614 179.524 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' F' F ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.41 -35.8 22.86 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.946 178.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 15' ' ' LEU . . . . . 0.498 ' HB2' ' HA ' ' F' ' 12' ' ' VAL . 15.8 mt -58.04 -54.68 44.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.734 179.761 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' F' F ' 16' ' ' TYR . . . . . 0.786 ' CE2' ' HA ' ' F' ' 13' ' ' GLU . 1.8 p90 -65.43 -23.81 67.03 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.34 -0.544 . . . . 0.0 110.82 -179.124 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 2.4 tt -69.82 -41.12 75.4 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 -179.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . 0.65 HG23 ' HG ' ' E' ' 13' ' ' LEU . 57.9 t -67.18 -36.71 77.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.562 0.696 . . . . 0.0 109.235 178.405 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' F' F ' 19' ' ' CYS . . . . . 0.784 ' HB3' ' HB2' ' F' ' 22' ' ' ARG . 84.7 m -69.89 -36.82 75.74 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.159 -0.928 . . . . 0.0 111.52 179.601 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' F' F ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.08 -88.8 1.18 Allowed Glycine 0 N--CA 1.448 -0.565 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -178.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 21' ' ' GLU . . . . . 0.576 ' HG2' ' HD2' ' H' ' 29' ' ' LYS . 18.4 tt0 -119.16 35.01 4.98 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.759 0.79 . . . . 0.0 109.283 179.152 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' F' F ' 22' ' ' ARG . . . . . 0.784 ' HB2' ' HB3' ' F' ' 19' ' ' CYS . 79.6 mtp180 -122.36 169.1 11.29 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.796 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' F' F ' 23' ' ' GLY . . . . . . . . . . . . . . . -109.7 -176.58 21.16 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.862 -0.685 . . . . 0.0 111.836 179.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 24' ' ' PHE . . . . . 0.553 ' HE2' ' HB3' ' F' ' 16' ' ' TYR . 12.5 p90 -158.83 162.44 37.0 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.047 0.451 . . . . 0.0 110.951 179.633 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' F' F ' 25' ' ' PHE . . . . . . . . . . . . . 13.3 m-30 -99.27 110.26 22.81 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 179.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 26' ' ' TYR . . . . . 0.495 ' HB2' ' HE1' ' F' ' 24' ' ' PHE . 65.3 t80 -100.08 112.58 24.88 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.846 0.355 . . . . 0.0 111.488 -178.667 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' F' F ' 27' ' ' THR . . . . . . . . . . . . . 6.3 p -125.46 95.79 40.12 Favored Pre-proline 0 C--N 1.321 -0.644 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.027 179.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 28' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -78.07 46.57 2.11 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.893 2.395 . . . . 0.0 112.433 -179.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 29' ' ' LYS . . . . . 0.571 ' HD2' ' HG2' ' H' ' 21' ' ' GLU . 44.9 tttm -164.45 147.14 8.88 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.501 179.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' F' F ' 30' ' ' THR . . . . . . . . . . . . . 13.7 m . . . . . 0 C--O 1.252 1.22 0 CA-C-O 118.031 -0.985 . . . . 0.0 108.838 178.914 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' G' G ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.08 0 CA-C-O 119.788 -0.451 . . . . 0.0 112.552 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' G' G ' 2' ' ' ILE . . . . . 0.85 HG22 ' H ' ' G' ' 3' ' ' VAL . 8.5 tt 31.06 -88.87 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.716 0 C-N-CA 125.072 1.349 . . . . 0.0 114.186 -179.688 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' G' G ' 3' ' ' VAL . . . . . 0.85 ' H ' HG22 ' G' ' 2' ' ' ILE . 4.0 t -56.7 -54.53 27.93 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.094 0 CA-C-O 120.884 0.373 . . . . 0.0 111.17 -178.746 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' G' G ' 4' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -58.91 -38.22 78.42 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.622 179.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 5' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -64.12 -47.86 78.34 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.829 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 6' ' ' CYS . . . . . . . . . . . . . 72.5 m -83.05 -15.29 51.6 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 -177.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 7' ' ' CYS . . . . . . . . . . . . . 42.2 t -78.13 -7.17 56.69 Favored 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.482 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 8' ' ' THR . . . . . . . . . . . . . 42.3 p -67.93 -65.85 0.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.222 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 9' ' ' SER . . . . . 0.483 ' O ' ' HB ' ' G' ' 10' ' ' ILE . 10.3 t -157.0 36.6 0.3 Allowed 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.466 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' G' G ' 10' ' ' ILE . . . . . 0.483 ' HB ' ' O ' ' G' ' 9' ' ' SER . 2.3 mp 74.14 139.71 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 CA-C-N 115.907 -0.588 . . . . 0.0 112.077 179.382 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' G' G ' 11' ' ' CYS . . . . . . . . . . . . . 77.5 m -103.35 176.55 5.11 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.515 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 12' ' ' SER . . . . . 0.512 ' HB3' ' HG3' ' G' ' 15' ' ' GLN . 41.5 t -80.52 147.16 30.96 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 177.174 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' G' G ' 13' ' ' LEU . . . . . 0.63 ' HG ' HG23 ' H' ' 18' ' ' VAL . 9.8 tt -59.27 -34.51 72.34 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.043 0.449 . . . . 0.0 110.7 -179.509 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -65.59 -26.38 67.82 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.44 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 15' ' ' GLN . . . . . 0.512 ' HG3' ' HB3' ' G' ' 12' ' ' SER . 22.5 mt-30 -78.09 -34.95 49.9 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.488 -0.323 . . . . 0.0 110.495 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' G' G ' 16' ' ' LEU . . . . . 0.416 HD21 HD22 ' H' ' 15' ' ' LEU . 79.1 mt -66.06 -32.13 73.41 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.062 0.458 . . . . 0.0 110.258 179.612 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' G' G ' 17' ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -59.22 -29.72 67.71 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.053 179.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 18' ' ' ASN . . . . . . . . . . . . . 62.7 m-20 -76.09 -12.24 60.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.896 0.379 . . . . 0.0 111.397 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 19' ' ' TYR . . . . . . . . . . . . . 9.6 m-30 -103.78 2.65 33.14 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.21 0.528 . . . . 0.0 110.589 -178.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 20' ' ' CYS . . . . . . . . . . . . . 17.0 t -89.1 159.75 17.38 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.078 -179.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 21' ' ' ASN . . . . . 0.412 ' C ' HH21 ' H' ' 22' ' ' ARG . 22.7 t-20 . . . . . 0 C--O 1.246 0.874 0 CA-C-O 118.4 -0.81 . . . . 0.0 110.072 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 1' ' ' PHE . . . . . 0.689 ' O ' HG21 ' H' ' 2' ' ' VAL . 51.3 t80 . . . . . 0 N--CA 1.483 1.181 0 CA-C-O 120.135 0.016 . . . . 0.0 110.965 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 2' ' ' VAL . . . . . 0.689 HG21 ' O ' ' H' ' 1' ' ' PHE . 21.3 m 48.98 -157.1 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 C-N-CA 124.389 1.076 . . . . 0.0 112.578 -178.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' H' H ' 3' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -137.07 175.57 9.49 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.887 -177.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 4' ' ' GLN . . . . . 0.725 ' HA ' ' HB3' ' H' ' 7' ' ' CYS . 5.9 tt0 -51.81 -28.55 16.04 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 123.953 0.901 . . . . 0.0 110.378 178.6 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' H' H ' 5' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -49.25 -44.35 43.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.944 179.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 6' ' ' LEU . . . . . 0.487 HD13 HG13 ' H' ' 2' ' ' VAL . 79.8 mt -95.47 -30.28 13.95 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.312 0.577 . . . . 0.0 110.48 179.601 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' H' H ' 7' ' ' CYS . . . . . 0.725 ' HB3' ' HA ' ' H' ' 4' ' ' GLN . 28.0 t -59.98 -38.87 83.83 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.076 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' H' H ' 8' ' ' GLY . . . . . 0.475 ' HA3' ' OH ' ' H' ' 26' ' ' TYR . . . -69.46 -19.99 75.01 Favored Glycine 0 N--CA 1.446 -0.648 0 CA-C-N 116.151 -0.477 . . . . 0.0 113.753 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' H' H ' 9' ' ' SER . . . . . 1.048 ' HB2' ' HG2' ' F' ' 13' ' ' GLU . 10.0 p -65.77 -18.79 65.58 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 117.424 0.612 . . . . 0.0 110.666 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' H' H ' 10' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -104.69 -19.67 13.88 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.309 -179.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 11' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' H' ' 7' ' ' CYS . 45.4 mt -72.66 -34.17 67.06 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 177.074 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' H' H ' 12' ' ' VAL . . . . . 0.673 HG23 HG23 ' F' ' 12' ' ' VAL . 26.8 m -68.24 -29.91 46.02 Favored 'Isoleucine or valine' 0 C--O 1.232 0.157 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.491 178.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' H' H ' 13' ' ' GLU . . . . . 1.06 ' HG2' ' HB2' ' F' ' 9' ' ' SER . 47.7 mt-10 -60.72 -32.69 71.94 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-O 121.534 0.683 . . . . 0.0 109.671 179.609 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' H' H ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.68 -35.31 22.66 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.994 178.081 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 15' ' ' LEU . . . . . 0.492 ' HB2' ' HA ' ' H' ' 12' ' ' VAL . 15.5 mt -58.16 -54.95 41.24 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.737 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' H' H ' 16' ' ' TYR . . . . . 0.798 ' CE2' ' HA ' ' H' ' 13' ' ' GLU . 1.8 p90 -65.14 -24.45 67.41 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 120.396 -0.521 . . . . 0.0 110.876 -179.235 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 2.6 tt -69.43 -40.76 77.05 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 -179.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . 0.63 HG23 ' HG ' ' G' ' 13' ' ' LEU . 58.2 t -67.49 -37.85 79.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 178.151 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' H' H ' 19' ' ' CYS . . . . . 0.815 ' HB3' ' HB2' ' H' ' 22' ' ' ARG . 86.5 m -68.15 -38.18 81.86 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.486 179.296 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' H' H ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.46 -86.88 1.31 Allowed Glycine 0 N--CA 1.449 -0.438 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -179.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 21' ' ' GLU . . . . . 0.571 ' HG2' ' HD2' ' F' ' 29' ' ' LYS . 18.4 tt0 -121.2 34.34 5.24 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.78 0.8 . . . . 0.0 109.314 178.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' H' H ' 22' ' ' ARG . . . . . 0.815 ' HB2' ' HB3' ' H' ' 19' ' ' CYS . 79.6 mtp180 -121.84 169.12 11.08 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.047 -0.979 . . . . 0.0 109.711 179.75 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' H' H ' 23' ' ' GLY . . . . . . . . . . . . . . . -109.67 -176.61 21.18 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.822 -0.704 . . . . 0.0 111.597 179.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 24' ' ' PHE . . . . . 0.547 ' HE2' ' HB3' ' H' ' 16' ' ' TYR . 12.4 p90 -158.22 163.29 37.62 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.074 0.464 . . . . 0.0 110.906 179.68 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' H' H ' 25' ' ' PHE . . . . . . . . . . . . . 13.6 m-30 -99.75 111.05 23.41 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 26' ' ' TYR . . . . . 0.497 ' HB2' ' HE1' ' H' ' 24' ' ' PHE . 66.5 t80 -100.93 112.52 24.98 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.849 0.357 . . . . 0.0 111.51 -178.574 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' H' H ' 27' ' ' THR . . . . . . . . . . . . . 3.4 p -125.57 95.39 40.65 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.18 179.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 28' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -77.71 46.55 2.06 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.906 2.404 . . . . 0.0 112.526 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 29' ' ' LYS . . . . . 0.576 ' HD2' ' HG2' ' F' ' 21' ' ' GLU . 45.5 tttm -163.77 148.59 10.62 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.568 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' H' H ' 30' ' ' THR . . . . . . . . . . . . . 13.7 m . . . . . 0 C--O 1.254 1.309 0 CA-C-O 118.081 -0.962 . . . . 0.0 109.124 178.883 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' I' I ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.477 0 CA-C-O 120.002 -0.332 . . . . 0.0 112.786 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' I' I ' 2' ' ' ILE . . . . . 0.872 HG22 ' H ' ' I' ' 3' ' ' VAL . 9.0 tt 31.29 -89.34 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 125.21 1.404 . . . . 0.0 114.266 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' I' I ' 3' ' ' VAL . . . . . 0.872 ' H ' HG22 ' I' ' 2' ' ' ILE . 4.0 t -55.84 -54.67 23.92 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 CA-C-O 120.817 0.341 . . . . 0.0 111.288 -178.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' I' I ' 4' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -58.77 -39.1 80.04 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.588 179.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 5' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -63.22 -48.06 79.88 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.914 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 6' ' ' CYS . . . . . . . . . . . . . 73.5 m -82.67 -16.21 49.08 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 -177.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 7' ' ' CYS . . . . . . . . . . . . . 42.1 t -77.45 -6.51 53.72 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.527 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 8' ' ' THR . . . . . . . . . . . . . 41.1 p -68.66 -64.67 0.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.47 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 9' ' ' SER . . . . . 0.479 ' O ' ' HB ' ' I' ' 10' ' ' ILE . 13.6 t -157.86 36.17 0.26 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.187 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' I' I ' 10' ' ' ILE . . . . . 0.479 ' HB ' ' O ' ' I' ' 9' ' ' SER . 2.3 mp 74.43 141.36 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.761 179.485 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' I' I ' 11' ' ' CYS . . . . . . . . . . . . . 76.5 m -104.75 176.39 5.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.305 179.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 12' ' ' SER . . . . . 0.539 ' HB3' ' HG3' ' I' ' 15' ' ' GLN . 40.8 t -79.9 148.64 31.2 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 177.23 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' I' I ' 13' ' ' LEU . . . . . 0.654 ' HG ' HG23 ' J' ' 18' ' ' VAL . 10.0 tt -60.98 -34.68 75.16 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.033 0.444 . . . . 0.0 110.528 -179.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -65.03 -26.36 68.23 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.309 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 15' ' ' GLN . . . . . 0.539 ' HG3' ' HB3' ' I' ' 12' ' ' SER . 22.5 mt-30 -77.93 -35.46 50.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.001 0.429 . . . . 0.0 110.578 179.686 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' I' I ' 16' ' ' LEU . . . . . 0.443 HD21 HD22 ' J' ' 15' ' ' LEU . 77.8 mt -65.83 -32.05 73.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.306 179.66 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' I' I ' 17' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -58.85 -31.34 68.43 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.986 179.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 18' ' ' ASN . . . . . . . . . . . . . 62.4 m-20 -74.19 -14.76 60.99 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.361 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 19' ' ' TYR . . . . . . . . . . . . . 8.9 m-30 -101.49 4.54 41.28 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.893 0.377 . . . . 0.0 110.831 -178.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 20' ' ' CYS . . . . . . . . . . . . . 17.9 t -91.53 159.15 16.07 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.021 -179.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 21' ' ' ASN . . . . . 0.415 ' C ' HH21 ' J' ' 22' ' ' ARG . 21.5 t-20 . . . . . 0 C--O 1.248 0.975 0 CA-C-O 118.446 -0.788 . . . . 0.0 109.963 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 1' ' ' PHE . . . . . 0.679 ' O ' HG21 ' J' ' 2' ' ' VAL . 53.8 t80 . . . . . 0 N--CA 1.482 1.162 0 CA-C-O 120.243 0.068 . . . . 0.0 111.145 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 2' ' ' VAL . . . . . 0.679 HG21 ' O ' ' J' ' 1' ' ' PHE . 22.7 m 48.96 -156.01 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 124.295 1.038 . . . . 0.0 112.538 -178.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' J' J ' 3' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -138.0 175.58 9.46 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 122.368 -0.208 . . . . 0.0 110.761 -178.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 4' ' ' GLN . . . . . 0.714 ' HA ' ' HB3' ' J' ' 7' ' ' CYS . 5.9 tt0 -51.53 -28.9 15.01 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 123.962 0.905 . . . . 0.0 110.497 178.254 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' J' J ' 5' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -49.21 -44.18 43.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.033 179.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 6' ' ' LEU . . . . . 0.49 HD13 HG13 ' J' ' 2' ' ' VAL . 79.4 mt -95.5 -30.05 14.06 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.379 0.609 . . . . 0.0 110.587 179.473 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' J' J ' 7' ' ' CYS . . . . . 0.714 ' HB3' ' HA ' ' J' ' 4' ' ' GLN . 33.8 t -60.13 -38.77 84.07 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.085 179.744 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' J' J ' 8' ' ' GLY . . . . . 0.491 ' HA3' ' OH ' ' J' ' 26' ' ' TYR . . . -69.7 -19.65 75.11 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 121.201 -0.523 . . . . 0.0 113.87 -179.622 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' J' J ' 9' ' ' SER . . . . . 1.07 ' HB2' ' HG2' ' L' ' 13' ' ' GLU . 10.6 p -65.95 -18.96 65.69 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 117.417 0.608 . . . . 0.0 110.643 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' J' J ' 10' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -104.44 -19.55 14.01 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.33 -179.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 11' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' J' ' 7' ' ' CYS . 45.2 mt -73.0 -33.88 66.05 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 177.126 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' J' J ' 12' ' ' VAL . . . . . 0.684 HG23 HG23 ' L' ' 12' ' ' VAL . 26.9 m -68.66 -29.99 45.67 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.411 178.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' J' J ' 13' ' ' GLU . . . . . 1.049 ' HG2' ' HB2' ' L' ' 9' ' ' SER . 48.9 mt-10 -60.67 -32.36 71.57 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-O 121.498 0.666 . . . . 0.0 109.616 179.561 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' J' J ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.83 -35.74 22.09 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.936 178.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 15' ' ' LEU . . . . . 0.503 ' HB2' ' HA ' ' J' ' 12' ' ' VAL . 15.7 mt -57.87 -54.77 43.15 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.769 179.716 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' J' J ' 16' ' ' TYR . . . . . 0.803 ' CE2' ' HA ' ' J' ' 13' ' ' GLU . 1.8 p90 -65.39 -24.42 67.22 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.321 -0.551 . . . . 0.0 110.809 -179.11 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 2.7 tt -69.16 -40.71 78.01 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 -179.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 18' ' ' VAL . . . . . 0.654 HG23 ' HG ' ' I' ' 13' ' ' LEU . 58.5 t -67.43 -38.29 80.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 178.154 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' J' J ' 19' ' ' CYS . . . . . 0.805 ' HB3' ' HB2' ' J' ' 22' ' ' ARG . 85.3 m -68.16 -35.89 78.77 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.188 -0.914 . . . . 0.0 111.666 179.352 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' J' J ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.76 -87.46 1.05 Allowed Glycine 0 N--CA 1.45 -0.397 0 N-CA-C 111.307 -0.717 . . . . 0.0 111.307 -179.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 21' ' ' GLU . . . . . 0.575 ' HG2' ' HD2' ' L' ' 29' ' ' LYS . 18.1 tt0 -120.9 36.85 4.47 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.784 0.802 . . . . 0.0 109.363 179.087 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' J' J ' 22' ' ' ARG . . . . . 0.805 ' HB2' ' HB3' ' J' ' 19' ' ' CYS . 79.1 mtp180 -124.09 169.93 11.2 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.691 179.634 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' J' J ' 23' ' ' GLY . . . . . . . . . . . . . . . -110.46 -176.31 20.72 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.783 -0.722 . . . . 0.0 111.654 179.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 24' ' ' PHE . . . . . 0.538 ' HE2' ' HB3' ' J' ' 16' ' ' TYR . 12.4 p90 -158.52 163.14 37.35 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.098 0.475 . . . . 0.0 110.803 179.741 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' J' J ' 25' ' ' PHE . . . . . . . . . . . . . 13.8 m-30 -100.06 110.07 22.37 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 179.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 26' ' ' TYR . . . . . 0.499 ' HB2' ' HE1' ' J' ' 24' ' ' PHE . 66.6 t80 -99.93 112.54 24.81 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.907 0.384 . . . . 0.0 111.668 -178.671 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' J' J ' 27' ' ' THR . . . . . . . . . . . . . 4.9 p -125.37 95.41 41.11 Favored Pre-proline 0 C--N 1.32 -0.678 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.073 179.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 28' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -77.98 46.91 2.19 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.905 2.403 . . . . 0.0 112.299 -179.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 29' ' ' LYS . . . . . 0.534 ' HD2' ' HG2' ' L' ' 21' ' ' GLU . 45.0 tttm -164.95 146.11 7.64 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.829 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' J' J ' 30' ' ' THR . . . . . . . . . . . . . 9.9 m . . . . . 0 C--O 1.253 1.281 0 CA-C-O 117.986 -1.007 . . . . 0.0 108.959 178.963 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.191 0 CA-C-O 119.755 -0.469 . . . . 0.0 113.055 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' K' K ' 2' ' ' ILE . . . . . 0.853 HG22 ' H ' ' K' ' 3' ' ' VAL . 8.7 tt 33.26 -89.09 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 C-N-CA 124.994 1.318 . . . . 0.0 114.113 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' K' K ' 3' ' ' VAL . . . . . 0.853 ' H ' HG22 ' K' ' 2' ' ' ILE . 4.1 t -57.25 -54.27 32.73 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 CA-C-O 120.963 0.411 . . . . 0.0 110.927 -178.761 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' K' K ' 4' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -58.66 -39.38 80.47 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.331 0.586 . . . . 0.0 110.607 179.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' K' K ' 5' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -63.35 -48.27 78.65 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.239 -0.891 . . . . 0.0 111.957 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' K' K ' 6' ' ' CYS . . . . . . . . . . . . . 72.8 m -82.49 -16.03 50.26 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 -177.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' K' K ' 7' ' ' CYS . . . . . . . . . . . . . 42.3 t -77.21 -7.35 55.74 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.563 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' K' K ' 8' ' ' THR . . . . . . . . . . . . . 45.4 p -68.04 -65.5 0.69 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.506 179.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' K' K ' 9' ' ' SER . . . . . 0.487 ' O ' ' HB ' ' K' ' 10' ' ' ILE . 10.6 t -156.81 36.16 0.3 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.202 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' K' K ' 10' ' ' ILE . . . . . 0.487 ' HB ' ' O ' ' K' ' 9' ' ' SER . 2.3 mp 73.98 140.02 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.823 179.573 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' K' K ' 11' ' ' CYS . . . . . . . . . . . . . 75.1 m -103.3 177.24 4.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.384 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' K' K ' 12' ' ' SER . . . . . 0.507 ' HB3' ' HG3' ' K' ' 15' ' ' GLN . 30.3 t -80.87 148.39 29.94 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 177.071 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' K' K ' 13' ' ' LEU . . . . . 0.652 ' HG ' HG23 ' L' ' 18' ' ' VAL . 9.8 tt -60.23 -34.35 73.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.007 0.432 . . . . 0.0 110.564 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -65.82 -26.42 67.67 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.412 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' K' K ' 15' ' ' GLN . . . . . 0.507 ' HG3' ' HB3' ' K' ' 12' ' ' SER . 22.3 mt-30 -77.81 -34.67 51.95 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.599 179.702 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' K' K ' 16' ' ' LEU . . . . . 0.451 HD21 HD22 ' L' ' 15' ' ' LEU . 80.3 mt -66.72 -31.15 71.62 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.469 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' K' K ' 17' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -59.81 -31.19 69.48 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.948 179.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' K' K ' 18' ' ' ASN . . . . . . . . . . . . . 60.2 m-20 -74.34 -13.95 60.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.475 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' K' K ' 19' ' ' TYR . . . . . . . . . . . . . 9.3 m-30 -102.4 4.51 38.97 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.13 0.491 . . . . 0.0 110.705 -178.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' K' K ' 20' ' ' CYS . . . . . . . . . . . . . 19.7 t -91.94 157.68 16.69 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.338 -179.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' K' K ' 21' ' ' ASN . . . . . 0.417 ' C ' HH21 ' L' ' 22' ' ' ARG . 23.2 t-20 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.435 -0.793 . . . . 0.0 109.615 179.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' L' L ' 1' ' ' PHE . . . . . 0.666 ' O ' HG21 ' L' ' 2' ' ' VAL . 51.5 t80 . . . . . 0 N--CA 1.482 1.152 0 N-CA-C 111.38 0.141 . . . . 0.0 111.38 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' L' L ' 2' ' ' VAL . . . . . 0.666 HG21 ' O ' ' L' ' 1' ' ' PHE . 20.4 m 48.81 -156.6 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 124.235 1.014 . . . . 0.0 112.618 -179.064 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' L' L ' 3' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -137.82 175.59 9.45 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.747 0.308 . . . . 0.0 110.674 -178.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' L' L ' 4' ' ' GLN . . . . . 0.713 ' HA ' ' HB3' ' L' ' 7' ' ' CYS . 6.0 tt0 -51.0 -29.72 13.17 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 123.999 0.92 . . . . 0.0 110.333 178.488 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' L' L ' 5' ' ' HIS . . . . . . . . . . . . . 77.8 t60 -48.58 -44.46 36.78 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 115.289 -0.868 . . . . 0.0 111.023 179.171 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' L' L ' 6' ' ' LEU . . . . . 0.474 HD13 HG13 ' L' ' 2' ' ' VAL . 80.5 mt -95.5 -30.01 14.08 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.45 0.643 . . . . 0.0 110.619 179.589 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' L' L ' 7' ' ' CYS . . . . . 0.713 ' HB3' ' HA ' ' L' ' 4' ' ' GLN . 32.1 t -59.68 -39.59 85.03 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.171 179.566 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' L' L ' 8' ' ' GLY . . . . . 0.498 ' HA3' ' OH ' ' L' ' 26' ' ' TYR . . . -69.01 -19.6 73.9 Favored Glycine 0 N--CA 1.449 -0.473 0 CA-C-N 115.972 -0.558 . . . . 0.0 113.935 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' L' L ' 9' ' ' SER . . . . . 1.049 ' HB2' ' HG2' ' J' ' 13' ' ' GLU . 9.8 p -66.2 -18.81 65.58 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 117.348 0.574 . . . . 0.0 110.636 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' L' L ' 10' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -104.51 -19.94 13.86 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.367 -179.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' L' L ' 11' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' L' ' 7' ' ' CYS . 41.4 mt -72.64 -34.21 67.13 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 177.128 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' L' L ' 12' ' ' VAL . . . . . 0.684 HG23 HG23 ' J' ' 12' ' ' VAL . 28.1 m -68.1 -29.85 46.01 Favored 'Isoleucine or valine' 0 C--O 1.231 0.105 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.461 178.626 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' L' L ' 13' ' ' GLU . . . . . 1.07 ' HG2' ' HB2' ' J' ' 9' ' ' SER . 48.4 mt-10 -60.88 -32.62 72.06 Favored 'General case' 0 CA--C 1.522 -0.134 0 CA-C-O 121.363 0.602 . . . . 0.0 109.578 179.6 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' L' L ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.71 -35.66 22.37 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.474 -0.784 . . . . 0.0 109.966 178.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' L' L ' 15' ' ' LEU . . . . . 0.495 ' HB2' ' HA ' ' L' ' 12' ' ' VAL . 15.4 mt -57.76 -54.87 41.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.73 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' L' L ' 16' ' ' TYR . . . . . 0.795 ' CE2' ' HA ' ' L' ' 13' ' ' GLU . 1.7 p90 -65.54 -23.91 66.98 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.886 -178.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 2.7 tt -69.6 -40.51 76.61 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 -179.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' L' L ' 18' ' ' VAL . . . . . 0.652 HG23 ' HG ' ' K' ' 13' ' ' LEU . 57.3 t -67.89 -37.42 78.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 178.239 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' L' L ' 19' ' ' CYS . . . . . 0.804 ' HB3' ' HB2' ' L' ' 22' ' ' ARG . 84.3 m -68.89 -36.56 78.2 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.388 179.329 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' L' L ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.88 -87.06 1.16 Allowed Glycine 0 N--CA 1.448 -0.513 0 N-CA-C 111.338 -0.705 . . . . 0.0 111.338 -179.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' L' L ' 21' ' ' GLU . . . . . 0.534 ' HG2' ' HD2' ' J' ' 29' ' ' LYS . 17.8 tt0 -120.94 35.89 4.75 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.706 0.765 . . . . 0.0 109.221 179.134 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' L' L ' 22' ' ' ARG . . . . . 0.804 ' HB2' ' HB3' ' L' ' 19' ' ' CYS . 79.4 mtp180 -123.56 169.68 11.19 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.036 -0.983 . . . . 0.0 109.743 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' L' L ' 23' ' ' GLY . . . . . . . . . . . . . . . -110.3 -177.02 20.89 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.767 -0.73 . . . . 0.0 111.721 179.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' L' L ' 24' ' ' PHE . . . . . 0.533 ' HE2' ' HB3' ' L' ' 16' ' ' TYR . 12.4 p90 -157.54 163.87 37.93 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.955 0.407 . . . . 0.0 110.783 179.654 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' L' L ' 25' ' ' PHE . . . . . . . . . . . . . 13.5 m-30 -100.4 110.55 22.75 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 179.105 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' L' L ' 26' ' ' TYR . . . . . 0.507 ' HB2' ' HE1' ' L' ' 24' ' ' PHE . 65.1 t80 -100.51 111.79 24.09 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.79 0.329 . . . . 0.0 111.664 -178.592 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' L' L ' 27' ' ' THR . . . . . . . . . . . . . 5.1 p -125.06 95.44 41.86 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.07 179.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' L' L ' 28' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -77.78 45.14 1.7 Allowed 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 123.002 2.468 . . . . 0.0 112.657 -179.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' L' L ' 29' ' ' LYS . . . . . 0.575 ' HD2' ' HG2' ' J' ' 21' ' ' GLU . 45.4 tttm . . . . . 0 C--N 1.324 -0.535 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.538 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.712 0 N-CA-C 111.753 -0.539 . . . . 0.0 111.753 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.536 HD12 HD13 ' B' ' 15' ' ' LEU . 5.5 tt -151.24 -39.8 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 120.89 0.376 . . . . 0.0 111.093 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.427 ' CG1' ' HG3' ' B' ' 4' ' ' GLN . 52.2 t -62.37 -72.48 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.324 -179.422 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 76.4 tt0 -60.06 -34.77 73.87 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.65 0.262 . . . . 0.0 110.831 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.577 ' HG2' ' SG ' ' A' ' 11' ' ' CYS . 35.6 tt0 -52.55 -42.99 64.92 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.96 179.735 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 73.3 m -98.69 -29.04 13.25 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -179.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.711 ' HB2' HD13 ' B' ' 11' ' ' LEU . 49.4 t -81.76 44.93 0.85 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.607 0.718 . . . . 0.0 111.189 -179.716 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -133.47 -63.07 0.76 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.64 178.3 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.442 ' O ' ' HB ' ' A' ' 10' ' ' ILE . 7.8 t -144.24 25.56 1.54 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.252 -0.431 . . . . 0.0 109.996 179.227 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.53 HD13 ' HB ' ' F' ' 2' ' ' VAL . 2.0 mp 71.43 145.98 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.526 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.577 ' SG ' ' HG2' ' A' ' 5' ' ' GLN . 74.3 m -100.83 166.74 10.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.856 0.36 . . . . 0.0 110.475 179.702 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.9 t -72.84 158.15 36.09 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 178.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.422 HD22 HG12 ' B' ' 18' ' ' VAL . 10.1 tt -60.85 -56.36 22.11 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.472 -179.122 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -65.56 -16.87 64.11 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 111.42 0.155 . . . . 0.0 111.42 -179.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.557 HE21 ' NE2' ' A' ' 5' ' ' GLN . 36.2 tt0 -77.14 -24.18 51.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.827 0.346 . . . . 0.0 110.11 179.459 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 97.8 mt -80.34 -26.76 38.54 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 179.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.691 ' HA ' ' SG ' ' A' ' 20' ' ' CYS . 0.5 OUTLIER -62.85 -19.32 64.01 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.958 179.096 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -63.85 -16.33 61.08 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.493 179.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -114.81 2.08 14.28 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -178.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.691 ' SG ' ' HA ' ' A' ' 17' ' ' GLU . 81.1 m -74.18 139.34 44.39 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.749 0.309 . . . . 0.0 111.131 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.8 m120 . . . . . 0 C--O 1.241 0.625 0 CA-C-O 118.762 -0.637 . . . . 0.0 110.261 179.779 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 5.9 p90 . . . . . 0 N--CA 1.481 1.117 0 N-CA-C 109.697 -0.482 . . . . 0.0 109.697 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . 0.588 HG22 ' HB2' ' B' ' 6' ' ' LEU . 16.9 m -117.71 176.2 2.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 C-N-CA 120.335 -0.546 . . . . 0.0 110.883 179.397 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . 0.455 ' H ' ' CD1' ' I' ' 10' ' ' ILE . 61.6 t30 -107.33 -179.15 3.84 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.913 -178.68 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . 0.65 ' HA ' ' HB3' ' B' ' 7' ' ' CYS . 0.2 OUTLIER -49.85 -29.8 8.72 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 123.805 0.842 . . . . 0.0 111.77 179.544 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . 0.595 ' NE2' ' HG ' ' D' ' 17' ' ' LEU . 42.2 t60 -57.36 -20.69 30.91 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.806 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.588 ' HB2' HG22 ' B' ' 2' ' ' VAL . 31.1 mt -120.04 -21.83 6.92 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.397 0.618 . . . . 0.0 110.256 178.641 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . 0.65 ' HB3' ' HA ' ' B' ' 4' ' ' GLN . 34.6 t -73.18 -36.64 66.62 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.226 -179.735 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . 0.408 ' HA3' ' OH ' ' B' ' 26' ' ' TYR . . . -52.09 -49.94 47.59 Favored Glycine 0 C--O 1.228 -0.279 0 N-CA-C 114.583 0.593 . . . . 0.0 114.583 -179.21 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' SER . . . . . 0.58 ' OG ' ' HB3' ' D' ' 13' ' ' GLU . 32.7 t -50.29 -44.57 53.97 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -178.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -70.51 -17.26 62.95 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.876 -0.602 . . . . 0.0 112.357 -178.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.711 HD13 ' HB2' ' A' ' 7' ' ' CYS . 12.2 mt -88.18 -34.81 17.69 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 107.207 -1.405 . . . . 0.0 107.207 176.311 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 1.052 HG13 HG13 ' D' ' 12' ' ' VAL . 51.6 t -66.17 -47.69 83.81 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 CA-C-N 114.421 -1.263 . . . . 0.0 112.188 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.57 ' HB3' ' OG ' ' D' ' 9' ' ' SER . 14.1 pt-20 -54.58 -40.43 68.79 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.709 0.29 . . . . 0.0 111.442 -178.69 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . 0.403 ' O ' HG22 ' B' ' 18' ' ' VAL . . . -79.27 -31.1 43.32 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.124 178.609 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.536 HD13 HD12 ' A' ' 2' ' ' ILE . 0.9 OUTLIER -58.25 -60.19 4.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.203 179.623 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . 0.773 ' HB2' ' HG3' ' D' ' 28' ' ' PRO . 6.3 p90 -69.79 -18.3 63.47 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 120.396 -0.521 . . . . 0.0 110.829 -179.332 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.603 ' HG ' ' NE2' ' D' ' 5' ' ' HIS . 4.7 tt -69.59 -38.26 77.24 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 178.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . 0.422 HG12 HD22 ' A' ' 13' ' ' LEU . 71.7 t -70.76 -42.98 77.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.387 178.27 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 84.2 m -62.3 -32.51 73.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.318 179.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.64 -102.35 0.88 Allowed Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 115.859 -0.609 . . . . 0.0 112.939 179.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -87.17 -1.55 57.98 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.189 0.518 . . . . 0.0 110.514 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 66.7 mtt85 -101.52 156.38 17.51 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.264 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . 0.846 ' HA2' ' HD2' ' D' ' 28' ' ' PRO . . . -101.62 -159.44 26.82 Favored Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 120.598 -0.81 . . . . 0.0 112.052 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . 0.866 ' HZ ' HG12 ' B' ' 12' ' ' VAL . 6.0 p90 -172.22 -176.22 1.58 Allowed 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 9.1 p90 -125.17 150.76 46.63 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 178.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.408 ' OH ' ' HA3' ' B' ' 8' ' ' GLY . 71.4 t80 -145.52 119.52 9.38 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.632 -0.427 . . . . 0.0 111.304 -179.289 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' THR . . . . . 0.656 HG21 ' HA3' ' D' ' 23' ' ' GLY . 6.9 p -124.09 99.33 37.74 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.768 178.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . 0.806 ' HD2' ' HA2' ' D' ' 23' ' ' GLY . 69.3 Cg_endo -74.48 55.34 3.63 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 123.169 2.579 . . . . 0.0 113.787 -178.475 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 4.8 ttpm? -124.57 -109.14 0.32 Allowed 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 178.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 62.5 m . . . . . 0 C--O 1.254 1.338 0 CA-C-O 117.528 -1.225 . . . . 0.0 108.135 178.907 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.67 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 2' ' ' ILE . . . . . 0.544 HD12 HD13 ' D' ' 15' ' ' LEU . 5.0 tt -152.49 -38.79 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 O-C-N 122.401 -0.47 . . . . 0.0 110.87 -179.69 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 3' ' ' VAL . . . . . 0.422 ' CG1' ' HG3' ' D' ' 4' ' ' GLN . 49.6 t -62.89 -73.4 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.156 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 74.9 tt0 -59.46 -34.89 73.09 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.631 0.253 . . . . 0.0 111.08 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 5' ' ' GLN . . . . . 0.581 ' HG2' ' SG ' ' C' ' 11' ' ' CYS . 35.8 tt0 -52.4 -42.68 64.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.972 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 74.5 m -99.03 -29.07 13.11 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -179.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 7' ' ' CYS . . . . . 0.704 ' HB2' HD13 ' D' ' 11' ' ' LEU . 49.8 t -81.68 45.31 0.88 Allowed 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.633 0.73 . . . . 0.0 111.14 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -133.78 -63.37 0.74 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.467 178.246 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 9' ' ' SER . . . . . 0.478 ' O ' ' HB ' ' C' ' 10' ' ' ILE . 8.6 t -143.47 23.45 1.8 Allowed 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.352 179.486 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . 0.535 HD13 ' HB ' ' L' ' 2' ' ' VAL . 1.9 mp 73.82 146.25 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.081 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 11' ' ' CYS . . . . . 0.581 ' SG ' ' HG2' ' C' ' 5' ' ' GLN . 73.0 m -101.3 167.17 10.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.886 0.374 . . . . 0.0 110.36 179.629 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 17.1 t -74.47 156.6 36.76 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 179.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 13' ' ' LEU . . . . . 0.42 HD22 HG12 ' D' ' 18' ' ' VAL . 10.0 tt -58.52 -56.85 16.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.879 -179.013 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -65.88 -15.83 63.29 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.709 0.29 . . . . 0.0 111.499 -179.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . 0.527 HE21 ' NE2' ' C' ' 5' ' ' GLN . 36.4 tt0 -78.15 -23.84 47.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.96 0.41 . . . . 0.0 110.014 179.462 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 97.6 mt -80.78 -26.53 37.16 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.111 0.481 . . . . 0.0 109.846 178.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 17' ' ' GLU . . . . . 0.682 ' HA ' ' SG ' ' C' ' 20' ' ' CYS . 0.9 OUTLIER -62.61 -20.1 64.41 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.907 179.049 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -63.05 -17.64 62.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.354 179.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -113.09 1.24 15.24 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -177.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 20' ' ' CYS . . . . . 0.682 ' SG ' ' HA ' ' C' ' 17' ' ' GLU . 84.9 m -73.18 141.69 47.39 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.75 0.31 . . . . 0.0 111.153 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 3.1 m120 . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.873 -0.584 . . . . 0.0 109.579 179.576 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 6.3 p90 . . . . . 0 N--CA 1.481 1.101 0 N-CA-C 109.549 -0.538 . . . . 0.0 109.549 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' D' D ' 2' ' ' VAL . . . . . 0.572 HG22 ' HB2' ' D' ' 6' ' ' LEU . 17.0 m -117.66 175.16 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 C-N-CA 120.462 -0.495 . . . . 0.0 110.88 179.504 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 3' ' ' ASN . . . . . 0.446 ' H ' ' CD1' ' G' ' 10' ' ' ILE . 62.4 t30 -106.17 -178.45 3.65 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.246 -178.524 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 4' ' ' GLN . . . . . 0.656 ' HA ' ' HB3' ' D' ' 7' ' ' CYS . 0.3 OUTLIER -50.86 -29.3 11.49 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 123.844 0.858 . . . . 0.0 111.596 179.515 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' D' D ' 5' ' ' HIS . . . . . 0.603 ' NE2' ' HG ' ' B' ' 17' ' ' LEU . 42.9 t60 -57.73 -20.53 35.18 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.948 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 6' ' ' LEU . . . . . 0.572 ' HB2' HG22 ' D' ' 2' ' ' VAL . 31.2 mt -120.5 -20.82 7.02 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.338 0.59 . . . . 0.0 110.231 178.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 7' ' ' CYS . . . . . 0.656 ' HB3' ' HA ' ' D' ' 4' ' ' GLN . 29.8 t -73.97 -36.6 64.59 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.161 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 8' ' ' GLY . . . . . 0.41 ' HA3' ' OH ' ' D' ' 26' ' ' TYR . . . -52.16 -50.29 46.57 Favored Glycine 0 C--O 1.227 -0.282 0 CA-C-N 116.003 -0.544 . . . . 0.0 114.413 -179.381 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 9' ' ' SER . . . . . 0.57 ' OG ' ' HB3' ' B' ' 13' ' ' GLU . 28.9 t -50.05 -44.63 51.69 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -178.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 10' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -70.48 -17.65 62.97 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.409 -178.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 11' ' ' LEU . . . . . 0.704 HD13 ' HB2' ' C' ' 7' ' ' CYS . 11.3 mt -87.56 -35.06 18.34 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 176.203 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 12' ' ' VAL . . . . . 1.052 HG13 HG13 ' B' ' 12' ' ' VAL . 50.5 t -66.0 -47.03 86.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 114.439 -1.255 . . . . 0.0 112.247 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 13' ' ' GLU . . . . . 0.58 ' HB3' ' OG ' ' B' ' 9' ' ' SER . 15.9 pt-20 -55.29 -39.78 70.3 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.552 0.215 . . . . 0.0 111.36 -178.662 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 14' ' ' ALA . . . . . 0.4 ' O ' HG22 ' D' ' 18' ' ' VAL . . . -79.83 -31.12 40.58 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.978 0.418 . . . . 0.0 110.014 178.391 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 15' ' ' LEU . . . . . 0.544 HD13 HD12 ' C' ' 2' ' ' ILE . 0.9 OUTLIER -57.99 -60.15 4.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.315 179.746 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' D' D ' 16' ' ' TYR . . . . . 0.786 ' HB2' ' HG3' ' B' ' 28' ' ' PRO . 5.8 p90 -70.03 -17.86 63.28 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.469 -0.492 . . . . 0.0 110.906 -179.434 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . 0.595 ' HG ' ' NE2' ' B' ' 5' ' ' HIS . 4.8 tt -70.01 -38.14 75.87 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 178.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . 0.42 HG12 HD22 ' C' ' 13' ' ' LEU . 72.4 t -70.98 -42.88 77.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.377 178.239 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 19' ' ' CYS . . . . . 0.412 ' HB3' ' HB2' ' D' ' 22' ' ' ARG . 83.3 m -62.32 -32.48 73.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.22 179.2 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.12 -102.08 0.88 Allowed Glycine 0 C--N 1.333 0.397 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.891 179.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -87.71 -2.51 58.66 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.324 0.583 . . . . 0.0 110.459 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 22' ' ' ARG . . . . . 0.412 ' HB2' ' HB3' ' D' ' 19' ' ' CYS . 68.2 mtt85 -100.11 157.09 16.81 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.267 179.699 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 23' ' ' GLY . . . . . 0.806 ' HA2' ' HD2' ' B' ' 28' ' ' PRO . . . -102.66 -159.74 25.79 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.665 -0.779 . . . . 0.0 111.994 179.721 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 24' ' ' PHE . . . . . 0.855 ' HZ ' HG12 ' D' ' 12' ' ' VAL . 6.0 p90 -171.68 -175.36 1.55 Allowed 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 25' ' ' PHE . . . . . . . . . . . . . 9.1 p90 -126.22 150.41 48.39 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 178.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 26' ' ' TYR . . . . . 0.41 ' OH ' ' HA3' ' D' ' 8' ' ' GLY . 72.6 t80 -145.28 119.1 9.25 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.985 0.422 . . . . 0.0 111.489 -179.256 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 27' ' ' THR . . . . . 0.664 HG21 ' HA3' ' B' ' 23' ' ' GLY . 5.5 p -123.61 99.47 39.1 Favored Pre-proline 0 C--N 1.321 -0.67 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.783 179.043 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 28' ' ' PRO . . . . . 0.846 ' HD2' ' HA2' ' B' ' 23' ' ' GLY . 66.4 Cg_endo -74.26 54.88 3.39 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 123.137 2.558 . . . . 0.0 113.842 -178.412 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 29' ' ' LYS . . . . . 0.41 ' HB3' ' H ' ' D' ' 30' ' ' THR . 4.7 ttpm? -124.14 -109.35 0.32 Allowed 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 178.733 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 30' ' ' THR . . . . . 0.41 ' H ' ' HB3' ' D' ' 29' ' ' LYS . 90.3 m . . . . . 0 C--O 1.25 1.126 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 179.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.695 0 N-CA-C 112.146 -0.381 . . . . 0.0 112.146 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' E' E ' 2' ' ' ILE . . . . . 0.548 HD12 HD13 ' F' ' 15' ' ' LEU . 5.9 tt -152.75 -39.56 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-O 120.81 0.338 . . . . 0.0 111.085 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' E' E ' 3' ' ' VAL . . . . . 0.42 ' CG1' ' HG3' ' F' ' 4' ' ' GLN . 53.8 t -63.2 -71.83 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.695 -179.322 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' E' E ' 4' ' ' GLU . . . . . . . . . . . . . 77.1 tt0 -60.99 -35.57 77.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.579 0.228 . . . . 0.0 110.723 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 5' ' ' GLN . . . . . 0.567 ' HG2' ' SG ' ' E' ' 11' ' ' CYS . 34.9 tt0 -51.31 -41.91 60.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.122 179.536 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' E' E ' 6' ' ' CYS . . . . . . . . . . . . . 73.0 m -99.85 -29.08 12.8 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.92 -179.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 7' ' ' CYS . . . . . 0.726 ' HB2' HD13 ' F' ' 11' ' ' LEU . 47.7 t -82.14 46.31 1.01 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.738 0.78 . . . . 0.0 111.05 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -134.77 -62.62 0.73 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.479 178.398 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' E' E ' 9' ' ' SER . . . . . 0.472 ' O ' ' HB ' ' E' ' 10' ' ' ILE . 8.7 t -144.35 23.4 1.64 Allowed 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.047 179.506 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' E' E ' 10' ' ' ILE . . . . . 0.526 HD13 ' HB ' ' J' ' 2' ' ' VAL . 1.9 mp 73.55 146.53 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.654 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.144 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' E' E ' 11' ' ' CYS . . . . . 0.567 ' SG ' ' HG2' ' E' ' 5' ' ' GLN . 70.8 m -100.83 168.86 9.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.718 0.294 . . . . 0.0 110.488 179.685 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' E' E ' 12' ' ' SER . . . . . . . . . . . . . 21.3 t -76.17 156.81 33.37 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 178.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 13' ' ' LEU . . . . . 0.412 HD22 HG12 ' F' ' 18' ' ' VAL . 10.1 tt -58.74 -56.73 18.46 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.638 -178.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -66.19 -14.53 62.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.661 0.267 . . . . 0.0 111.589 -179.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 15' ' ' GLN . . . . . 0.531 HE21 ' NE2' ' E' ' 5' ' ' GLN . 37.1 tt0 -79.13 -24.12 43.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.986 0.422 . . . . 0.0 109.976 179.32 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' E' E ' 16' ' ' LEU . . . . . . . . . . . . . 97.7 mt -80.53 -26.53 38.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.001 178.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 17' ' ' GLU . . . . . 0.688 ' HA ' ' SG ' ' E' ' 20' ' ' CYS . 0.9 OUTLIER -63.41 -18.52 63.8 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.9 179.043 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' E' E ' 18' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -64.25 -16.87 62.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.285 178.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 19' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -113.74 0.69 14.61 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -178.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 20' ' ' CYS . . . . . 0.688 ' SG ' ' HA ' ' E' ' 17' ' ' GLU . 79.7 m -71.91 143.04 49.48 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.904 0.383 . . . . 0.0 111.185 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' E' E ' 21' ' ' ASN . . . . . . . . . . . . . 2.9 m120 . . . . . 0 C--O 1.246 0.919 0 CA-C-O 118.907 -0.568 . . . . 0.0 109.872 179.565 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' F' F ' 1' ' ' PHE . . . . . . . . . . . . . 5.8 p90 . . . . . 0 N--CA 1.482 1.157 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' F' F ' 2' ' ' VAL . . . . . 0.583 HG22 ' HB2' ' F' ' 6' ' ' LEU . 17.5 m -118.48 175.93 3.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 C-N-CA 120.342 -0.543 . . . . 0.0 110.838 179.603 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' F' F ' 3' ' ' ASN . . . . . 0.445 ' H ' ' CD1' ' A' ' 10' ' ' ILE . 61.5 t30 -106.92 -179.22 3.87 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.165 -178.543 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' F' F ' 4' ' ' GLN . . . . . 0.629 ' HA ' ' HB3' ' F' ' 7' ' ' CYS . 0.3 OUTLIER -50.02 -29.68 9.16 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 123.755 0.822 . . . . 0.0 111.712 179.427 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' F' F ' 5' ' ' HIS . . . . . 0.602 ' NE2' ' HG ' ' H' ' 17' ' ' LEU . 44.6 t60 -57.5 -20.8 33.61 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.867 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' F' F ' 6' ' ' LEU . . . . . 0.583 ' HB2' HG22 ' F' ' 2' ' ' VAL . 30.4 mt -119.85 -21.3 7.24 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.276 0.56 . . . . 0.0 110.311 178.69 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' F' F ' 7' ' ' CYS . . . . . 0.629 ' HB3' ' HA ' ' F' ' 4' ' ' GLN . 32.5 t -73.6 -36.57 65.53 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.108 -179.68 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' F' F ' 8' ' ' GLY . . . . . 0.421 ' HA3' ' OH ' ' F' ' 26' ' ' TYR . . . -51.99 -50.56 44.41 Favored Glycine 0 N--CA 1.452 -0.265 0 CA-C-N 115.92 -0.582 . . . . 0.0 114.413 -179.152 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' F' F ' 9' ' ' SER . . . . . 0.57 ' OG ' ' HB3' ' H' ' 13' ' ' GLU . 29.5 t -49.99 -44.45 50.99 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.416 0.524 . . . . 0.0 112.416 -179.052 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' F' F ' 10' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -70.54 -17.46 62.94 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.266 -178.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 11' ' ' LEU . . . . . 0.726 HD13 ' HB2' ' E' ' 7' ' ' CYS . 11.4 mt -88.11 -34.09 18.03 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 176.283 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' F' F ' 12' ' ' VAL . . . . . 1.069 HG13 HG13 ' H' ' 12' ' ' VAL . 50.7 t -66.61 -47.56 83.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 114.421 -1.263 . . . . 0.0 112.319 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' F' F ' 13' ' ' GLU . . . . . 0.579 ' HB3' ' OG ' ' H' ' 9' ' ' SER . 13.9 pt-20 -54.57 -40.65 68.97 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.607 0.242 . . . . 0.0 111.384 -178.749 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' F' F ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.27 -30.91 43.26 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.954 0.407 . . . . 0.0 110.226 178.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 15' ' ' LEU . . . . . 0.548 HD13 HD12 ' E' ' 2' ' ' ILE . 0.9 OUTLIER -58.37 -60.09 4.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.143 179.638 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' F' F ' 16' ' ' TYR . . . . . 0.8 ' HB2' ' HG3' ' H' ' 28' ' ' PRO . 5.9 p90 -69.73 -18.59 63.53 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.766 -179.448 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' F' F ' 17' ' ' LEU . . . . . 0.61 ' HG ' ' NE2' ' H' ' 5' ' ' HIS . 4.8 tt -69.2 -38.62 78.69 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 178.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . 0.412 HG12 HD22 ' E' ' 13' ' ' LEU . 72.8 t -70.86 -42.38 77.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.55 178.236 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' F' F ' 19' ' ' CYS . . . . . 0.411 ' HB3' ' HB2' ' F' ' 22' ' ' ARG . 79.1 m -62.43 -33.6 75.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.076 179.108 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' F' F ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.98 -102.93 1.05 Allowed Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.923 -0.58 . . . . 0.0 112.685 179.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 21' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -86.2 -4.64 59.21 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.203 0.525 . . . . 0.0 110.408 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 22' ' ' ARG . . . . . 0.411 ' HB2' ' HB3' ' F' ' 19' ' ' CYS . 67.7 mtt85 -97.63 157.12 16.21 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.539 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' F' F ' 23' ' ' GLY . . . . . 0.822 ' HA2' ' HD2' ' H' ' 28' ' ' PRO . . . -102.94 -160.08 25.53 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.78 -0.724 . . . . 0.0 111.834 179.713 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' F' F ' 24' ' ' PHE . . . . . 0.844 ' HZ ' HG12 ' F' ' 12' ' ' VAL . 6.1 p90 -171.75 -176.08 1.68 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' F' F ' 25' ' ' PHE . . . . . . . . . . . . . 9.3 p90 -125.28 151.31 46.13 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 178.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 26' ' ' TYR . . . . . 0.421 ' OH ' ' HA3' ' F' ' 8' ' ' GLY . 72.7 t80 -146.06 119.1 8.79 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.623 -0.431 . . . . 0.0 111.37 -179.28 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' F' F ' 27' ' ' THR . . . . . 0.612 HG21 ' HA3' ' H' ' 23' ' ' GLY . 7.6 p -123.28 99.38 40.27 Favored Pre-proline 0 C--N 1.319 -0.727 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.816 178.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' F' F ' 28' ' ' PRO . . . . . 0.849 ' HD2' ' HA2' ' H' ' 23' ' ' GLY . 74.2 Cg_endo -74.59 56.13 3.92 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 123.081 2.521 . . . . 0.0 113.948 -178.529 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' F' F ' 29' ' ' LYS . . . . . . . . . . . . . 4.9 ttpm? -125.31 -108.7 0.32 Allowed 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 178.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 30' ' ' THR . . . . . . . . . . . . . 59.8 m . . . . . 0 C--O 1.252 1.217 0 CA-C-O 117.465 -1.255 . . . . 0.0 107.668 178.812 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' G' G ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.921 0 N-CA-C 111.728 -0.549 . . . . 0.0 111.728 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' G' G ' 2' ' ' ILE . . . . . 0.548 HD12 HD13 ' H' ' 15' ' ' LEU . 6.0 tt -149.09 -40.05 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 120.895 0.379 . . . . 0.0 111.061 -179.709 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' G' G ' 3' ' ' VAL . . . . . 0.427 ' CG1' ' HG3' ' H' ' 4' ' ' GLN . 53.3 t -62.24 -71.97 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.579 -179.303 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' G' G ' 4' ' ' GLU . . . . . . . . . . . . . 72.2 tt0 -61.2 -33.93 74.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.716 0.293 . . . . 0.0 110.839 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 5' ' ' GLN . . . . . 0.602 ' HG2' ' SG ' ' G' ' 11' ' ' CYS . 35.0 tt0 -53.01 -42.28 65.48 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.105 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' G' G ' 6' ' ' CYS . . . . . . . . . . . . . 74.1 m -99.56 -28.97 12.97 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 -179.275 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 7' ' ' CYS . . . . . 0.723 ' HB2' HD13 ' H' ' 11' ' ' LEU . 47.3 t -81.54 45.3 0.86 Allowed 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 121.501 0.667 . . . . 0.0 111.197 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' G' G ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -134.07 -63.03 0.74 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.473 178.383 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' G' G ' 9' ' ' SER . . . . . 0.454 ' O ' ' HB ' ' G' ' 10' ' ' ILE . 8.3 t -143.66 24.76 1.69 Allowed 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.046 179.388 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' G' G ' 10' ' ' ILE . . . . . 0.519 HD13 ' HB ' ' D' ' 2' ' ' VAL . 1.9 mp 71.89 145.05 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.23 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' G' G ' 11' ' ' CYS . . . . . 0.602 ' SG ' ' HG2' ' G' ' 5' ' ' GLN . 74.1 m -100.28 166.97 10.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.767 0.317 . . . . 0.0 110.33 179.548 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' G' G ' 12' ' ' SER . . . . . . . . . . . . . 13.3 t -74.09 156.65 37.2 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 179.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 13' ' ' LEU . . . . . . . . . . . . . 10.1 tt -58.95 -56.79 17.77 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.735 -178.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -66.06 -14.7 62.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.591 0.234 . . . . 0.0 111.514 -179.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 15' ' ' GLN . . . . . 0.506 HE21 ' NE2' ' G' ' 5' ' ' GLN . 35.9 tt0 -79.36 -23.97 43.01 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 179.477 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' G' G ' 16' ' ' LEU . . . . . . . . . . . . . 97.6 mt -80.3 -27.24 38.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.075 0.465 . . . . 0.0 109.908 178.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 17' ' ' GLU . . . . . 0.69 ' HA ' ' SG ' ' G' ' 20' ' ' CYS . 0.8 OUTLIER -62.45 -19.46 63.53 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.044 179.155 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' G' G ' 18' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -62.77 -19.64 64.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.251 178.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 19' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -111.45 1.46 16.98 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 -177.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 20' ' ' CYS . . . . . 0.69 ' SG ' ' HA ' ' G' ' 17' ' ' GLU . 84.2 m -73.7 140.5 46.08 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.934 0.397 . . . . 0.0 111.315 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' G' G ' 21' ' ' ASN . . . . . . . . . . . . . 3.0 m120 . . . . . 0 C--O 1.249 1.031 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.893 179.721 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' H' H ' 1' ' ' PHE . . . . . . . . . . . . . 6.1 p90 . . . . . 0 N--CA 1.483 1.182 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' H' H ' 2' ' ' VAL . . . . . 0.591 HG22 ' HB2' ' H' ' 6' ' ' LEU . 16.7 m -117.78 175.9 3.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 C-N-CA 120.2 -0.6 . . . . 0.0 110.947 179.549 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' H' H ' 3' ' ' ASN . . . . . 0.46 ' H ' ' CD1' ' K' ' 10' ' ' ILE . 59.6 t30 -106.79 -179.53 3.97 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.985 -178.633 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' H' H ' 4' ' ' GLN . . . . . 0.628 ' HA ' ' HB3' ' H' ' 7' ' ' CYS . 0.2 OUTLIER -49.55 -29.83 7.58 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 123.818 0.847 . . . . 0.0 111.733 179.348 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' H' H ' 5' ' ' HIS . . . . . 0.61 ' NE2' ' HG ' ' F' ' 17' ' ' LEU . 43.8 t60 -57.4 -20.37 29.39 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.89 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' H' H ' 6' ' ' LEU . . . . . 0.591 ' HB2' HG22 ' H' ' 2' ' ' VAL . 29.6 mt -120.78 -21.01 6.79 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.268 0.556 . . . . 0.0 110.17 178.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' H' H ' 7' ' ' CYS . . . . . 0.628 ' HB3' ' HA ' ' H' ' 4' ' ' GLN . 29.7 t -73.88 -36.53 64.81 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.101 -179.697 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' H' H ' 8' ' ' GLY . . . . . 0.416 ' HA3' ' OH ' ' H' ' 26' ' ' TYR . . . -52.15 -50.16 47.04 Favored Glycine 0 C--O 1.228 -0.245 0 N-CA-C 114.59 0.596 . . . . 0.0 114.59 -179.114 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' H' H ' 9' ' ' SER . . . . . 0.579 ' OG ' ' HB3' ' F' ' 13' ' ' GLU . 29.2 t -50.2 -44.34 53.01 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -178.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' H' H ' 10' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -70.67 -17.59 62.84 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.964 -0.562 . . . . 0.0 112.209 -178.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 11' ' ' LEU . . . . . 0.723 HD13 ' HB2' ' G' ' 7' ' ' CYS . 11.9 mt -87.8 -34.76 18.16 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 107.237 -1.394 . . . . 0.0 107.237 176.305 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' H' H ' 12' ' ' VAL . . . . . 1.069 HG13 HG13 ' F' ' 12' ' ' VAL . 50.7 t -66.34 -47.43 84.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 114.359 -1.292 . . . . 0.0 112.24 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' H' H ' 13' ' ' GLU . . . . . 0.57 ' HB3' ' OG ' ' F' ' 9' ' ' SER . 13.7 pt-20 -54.53 -40.57 68.78 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.585 0.231 . . . . 0.0 111.349 -178.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' H' H ' 14' ' ' ALA . . . . . 0.407 ' O ' HG22 ' H' ' 18' ' ' VAL . . . -79.31 -31.07 43.11 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.908 0.385 . . . . 0.0 110.055 178.591 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' H' H ' 15' ' ' LEU . . . . . 0.548 HD13 HD12 ' G' ' 2' ' ' ILE . 0.9 OUTLIER -58.17 -60.19 4.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.186 179.882 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' H' H ' 16' ' ' TYR . . . . . 0.755 ' HB2' ' HG3' ' F' ' 28' ' ' PRO . 5.7 p90 -69.77 -18.3 63.48 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 120.353 -0.539 . . . . 0.0 110.91 -179.443 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' H' H ' 17' ' ' LEU . . . . . 0.602 ' HG ' ' NE2' ' F' ' 5' ' ' HIS . 4.7 tt -69.41 -38.82 78.1 Favored 'General case' 0 C--O 1.23 0.069 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 178.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . 0.407 HG22 ' O ' ' H' ' 14' ' ' ALA . 69.3 t -70.37 -42.65 78.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.539 178.182 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' H' H ' 19' ' ' CYS . . . . . 0.401 ' HB3' ' HB2' ' H' ' 22' ' ' ARG . 85.7 m -62.38 -32.76 73.62 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.209 179.199 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' H' H ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.37 -101.26 0.81 Allowed Glycine 0 N--CA 1.449 -0.438 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.948 178.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 21' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -88.88 -0.71 57.62 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.114 0.483 . . . . 0.0 110.372 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 22' ' ' ARG . . . . . 0.401 ' HB2' ' HB3' ' H' ' 19' ' ' CYS . 69.5 mtt85 -102.19 156.07 17.8 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.091 179.735 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' H' H ' 23' ' ' GLY . . . . . 0.849 ' HA2' ' HD2' ' F' ' 28' ' ' PRO . . . -101.26 -159.6 27.2 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.091 179.537 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' H' H ' 24' ' ' PHE . . . . . 0.848 ' HZ ' HG12 ' H' ' 12' ' ' VAL . 5.8 p90 -172.25 -176.18 1.56 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' H' H ' 25' ' ' PHE . . . . . . . . . . . . . 9.0 p90 -125.08 151.43 45.67 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 178.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 26' ' ' TYR . . . . . 0.416 ' OH ' ' HA3' ' H' ' 8' ' ' GLY . 71.6 t80 -146.29 118.96 8.57 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.445 -179.261 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' H' H ' 27' ' ' THR . . . . . 0.634 HG21 ' HA3' ' F' ' 23' ' ' GLY . 6.8 p -123.63 99.42 39.09 Favored Pre-proline 0 C--N 1.318 -0.78 0 CA-C-N 116.187 -0.461 . . . . 0.0 109.856 178.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' H' H ' 28' ' ' PRO . . . . . 0.822 ' HD2' ' HA2' ' F' ' 23' ' ' GLY . 65.5 Cg_endo -74.26 55.29 3.5 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 123.185 2.59 . . . . 0.0 113.731 -178.322 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' H' H ' 29' ' ' LYS . . . . . . . . . . . . . 4.6 ttpm? -124.78 -109.87 0.32 Allowed 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 178.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 30' ' ' THR . . . . . . . . . . . . . 60.6 m . . . . . 0 C--O 1.251 1.165 0 CA-C-O 117.631 -1.176 . . . . 0.0 108.009 179.176 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' I' I ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.89 0 N-CA-C 112.227 -0.349 . . . . 0.0 112.227 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' I' I ' 2' ' ' ILE . . . . . 0.561 HD12 HD13 ' J' ' 15' ' ' LEU . 5.5 tt -151.13 -39.53 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-O 120.947 0.403 . . . . 0.0 110.978 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' I' I ' 3' ' ' VAL . . . . . 0.435 ' CG1' ' HG3' ' J' ' 4' ' ' GLN . 51.9 t -63.04 -71.83 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.449 -179.448 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' I' I ' 4' ' ' GLU . . . . . . . . . . . . . 72.1 tt0 -60.65 -34.8 74.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.718 0.294 . . . . 0.0 110.72 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 5' ' ' GLN . . . . . 0.593 ' HG2' ' SG ' ' I' ' 11' ' ' CYS . 34.9 tt0 -52.86 -41.79 64.62 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.255 179.586 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' I' I ' 6' ' ' CYS . . . . . . . . . . . . . 73.7 m -100.03 -29.17 12.69 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 -179.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 7' ' ' CYS . . . . . 0.742 ' HB2' HD13 ' J' ' 11' ' ' LEU . 49.0 t -81.48 45.43 0.87 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.725 0.774 . . . . 0.0 111.168 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' I' I ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -134.08 -61.49 0.79 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.879 178.428 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' I' I ' 9' ' ' SER . . . . . 0.445 ' O ' ' HB ' ' I' ' 10' ' ' ILE . 8.6 t -146.01 25.03 1.3 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.843 179.471 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' I' I ' 10' ' ' ILE . . . . . 0.534 HD13 ' HB ' ' B' ' 2' ' ' VAL . 2.0 mp 71.28 143.88 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.551 179.716 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' I' I ' 11' ' ' CYS . . . . . 0.593 ' SG ' ' HG2' ' I' ' 5' ' ' GLN . 71.7 m -96.8 171.61 8.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.867 0.365 . . . . 0.0 110.717 179.473 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' I' I ' 12' ' ' SER . . . . . . . . . . . . . 23.2 t -78.66 158.16 28.46 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 178.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 13' ' ' LEU . . . . . 0.4 HD22 HG12 ' J' ' 18' ' ' VAL . 10.1 tt -59.91 -56.76 17.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.43 -179.169 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -65.54 -16.17 63.42 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.653 0.242 . . . . 0.0 111.653 -179.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 15' ' ' GLN . . . . . 0.527 HE21 ' NE2' ' I' ' 5' ' ' GLN . 36.5 tt0 -77.67 -24.27 49.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.904 0.383 . . . . 0.0 110.01 179.341 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' I' I ' 16' ' ' LEU . . . . . . . . . . . . . 97.8 mt -80.35 -26.65 38.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.226 0.536 . . . . 0.0 110.02 178.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 17' ' ' GLU . . . . . 0.669 ' HA ' ' SG ' ' I' ' 20' ' ' CYS . 0.8 OUTLIER -63.11 -18.98 64.0 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.024 179.23 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' I' I ' 18' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -64.63 -15.1 60.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.411 179.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 19' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -115.69 1.12 13.43 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 -178.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 20' ' ' CYS . . . . . 0.669 ' SG ' ' HA ' ' I' ' 17' ' ' GLU . 81.1 m -73.42 140.08 46.29 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.865 0.364 . . . . 0.0 111.163 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' I' I ' 21' ' ' ASN . . . . . . . . . . . . . 2.8 m120 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.747 -0.644 . . . . 0.0 109.85 179.803 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' J' J ' 1' ' ' PHE . . . . . . . . . . . . . 6.2 p90 . . . . . 0 N--CA 1.483 1.186 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' J' J ' 2' ' ' VAL . . . . . 0.605 HG22 ' HB2' ' J' ' 6' ' ' LEU . 16.4 m -116.9 176.57 2.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 C-N-CA 120.174 -0.611 . . . . 0.0 111.08 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' J' J ' 3' ' ' ASN . . . . . 0.434 ' H ' ' CD1' ' E' ' 10' ' ' ILE . 61.8 t30 -107.5 -179.67 3.98 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.964 -178.628 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' J' J ' 4' ' ' GLN . . . . . 0.639 ' HA ' ' HB3' ' J' ' 7' ' ' CYS . 0.2 OUTLIER -49.65 -29.04 6.62 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.874 0.869 . . . . 0.0 111.695 179.259 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' J' J ' 5' ' ' HIS . . . . . 0.615 ' NE2' ' HG ' ' L' ' 17' ' ' LEU . 46.7 t60 -58.31 -20.45 43.09 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.797 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' J' J ' 6' ' ' LEU . . . . . 0.605 ' HB2' HG22 ' J' ' 2' ' ' VAL . 29.9 mt -120.1 -21.35 7.07 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.31 0.576 . . . . 0.0 110.29 178.644 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' J' J ' 7' ' ' CYS . . . . . 0.639 ' HB3' ' HA ' ' J' ' 4' ' ' GLN . 31.8 t -73.51 -36.45 65.74 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.252 -179.703 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' J' J ' 8' ' ' GLY . . . . . 0.421 ' HA3' ' OH ' ' J' ' 26' ' ' TYR . . . -52.24 -50.45 46.39 Favored Glycine 0 N--CA 1.451 -0.329 0 CA-C-N 115.94 -0.573 . . . . 0.0 114.478 -179.084 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' J' J ' 9' ' ' SER . . . . . 0.562 ' OG ' ' HB3' ' L' ' 13' ' ' GLU . 30.0 t -49.77 -44.48 48.83 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -179.12 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' J' J ' 10' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -70.76 -17.5 62.79 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.055 -0.521 . . . . 0.0 112.266 -178.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 11' ' ' LEU . . . . . 0.742 HD13 ' HB2' ' I' ' 7' ' ' CYS . 11.8 mt -87.71 -34.75 18.28 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 107.222 -1.399 . . . . 0.0 107.222 176.393 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' J' J ' 12' ' ' VAL . . . . . 1.026 HG13 HG13 ' L' ' 12' ' ' VAL . 51.1 t -66.43 -47.24 84.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 CA-C-N 114.404 -1.271 . . . . 0.0 112.181 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' J' J ' 13' ' ' GLU . . . . . 0.592 ' HB3' ' OG ' ' L' ' 9' ' ' SER . 16.0 pt-20 -54.83 -40.03 69.15 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.587 0.232 . . . . 0.0 111.417 -178.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' J' J ' 14' ' ' ALA . . . . . . . . . . . . . . . -80.0 -30.96 39.73 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.922 0.392 . . . . 0.0 110.143 178.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 15' ' ' LEU . . . . . 0.561 HD13 HD12 ' I' ' 2' ' ' ILE . 0.9 OUTLIER -57.94 -60.19 4.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.296 179.673 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' J' J ' 16' ' ' TYR . . . . . 0.781 ' HB2' ' HG3' ' L' ' 28' ' ' PRO . 6.2 p90 -69.67 -18.61 63.58 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.836 -179.471 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' J' J ' 17' ' ' LEU . . . . . 0.613 ' HG ' ' NE2' ' L' ' 5' ' ' HIS . 4.6 tt -69.15 -39.31 78.9 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 178.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' J' J ' 18' ' ' VAL . . . . . 0.4 HG12 HD22 ' I' ' 13' ' ' LEU . 69.4 t -69.68 -43.11 80.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.603 178.097 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' J' J ' 19' ' ' CYS . . . . . 0.426 ' HB3' ' HB2' ' J' ' 22' ' ' ARG . 85.9 m -61.72 -34.56 76.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.026 179.172 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' J' J ' 20' ' ' GLY . . . . . . . . . . . . . . . 70.82 -101.32 0.92 Allowed Glycine 0 C--N 1.332 0.324 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.885 179.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 21' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -88.44 -2.49 58.63 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.222 0.534 . . . . 0.0 110.254 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 22' ' ' ARG . . . . . 0.426 ' HB2' ' HB3' ' J' ' 19' ' ' CYS . 66.5 mtt85 -99.73 157.15 16.69 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.15 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' J' J ' 23' ' ' GLY . . . . . 0.835 ' HA2' ' HD2' ' L' ' 28' ' ' PRO . . . -102.94 -159.34 25.47 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.557 -0.83 . . . . 0.0 111.889 179.504 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' J' J ' 24' ' ' PHE . . . . . 0.862 ' HZ ' HG12 ' J' ' 12' ' ' VAL . 5.9 p90 -172.2 -175.62 1.46 Allowed 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' J' J ' 25' ' ' PHE . . . . . . . . . . . . . 9.3 p90 -125.75 151.2 47.01 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 178.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 26' ' ' TYR . . . . . 0.421 ' OH ' ' HA3' ' J' ' 8' ' ' GLY . 72.1 t80 -146.12 119.06 8.72 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.669 -0.413 . . . . 0.0 111.375 -179.309 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' J' J ' 27' ' ' THR . . . . . 0.652 HG21 ' HA3' ' L' ' 23' ' ' GLY . 7.3 p -123.6 99.45 39.16 Favored Pre-proline 0 C--N 1.32 -0.695 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 178.715 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' J' J ' 28' ' ' PRO . . . . . 0.827 ' HD2' ' HA2' ' L' ' 23' ' ' GLY . 64.9 Cg_endo -74.11 54.56 3.23 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 123.179 2.586 . . . . 0.0 113.768 -178.327 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' J' J ' 29' ' ' LYS . . . . . . . . . . . . . 4.7 ttpm? -123.68 -110.23 0.32 Allowed 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 178.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 30' ' ' THR . . . . . . . . . . . . . 91.0 m . . . . . 0 C--O 1.254 1.315 0 CA-C-O 117.654 -1.165 . . . . 0.0 107.957 178.972 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.668 0 N-CA-C 111.767 -0.533 . . . . 0.0 111.767 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' K' K ' 2' ' ' ILE . . . . . 0.523 HD12 HD13 ' L' ' 15' ' ' LEU . 5.3 tt -152.72 -39.29 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.842 0.353 . . . . 0.0 110.987 179.64 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' K' K ' 3' ' ' VAL . . . . . 0.414 ' CG1' ' HG3' ' L' ' 4' ' ' GLN . 53.5 t -62.96 -71.81 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.356 -179.373 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' K' K ' 4' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -60.85 -35.05 75.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.704 0.288 . . . . 0.0 110.783 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' K' K ' 5' ' ' GLN . . . . . 0.598 ' HG2' ' SG ' ' K' ' 11' ' ' CYS . 35.2 tt0 -51.63 -42.78 62.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.143 179.452 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' K' K ' 6' ' ' CYS . . . . . . . . . . . . . 73.6 m -99.4 -28.59 13.2 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -179.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' K' K ' 7' ' ' CYS . . . . . 0.733 ' HB2' HD13 ' L' ' 11' ' ' LEU . 49.8 t -82.06 45.38 0.92 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.537 0.684 . . . . 0.0 111.133 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' K' K ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -134.12 -62.65 0.75 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.605 178.314 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' K' K ' 9' ' ' SER . . . . . 0.446 ' O ' ' HB ' ' K' ' 10' ' ' ILE . 10.7 t -144.08 24.5 1.63 Allowed 'General case' 0 C--O 1.238 0.485 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 179.437 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' K' K ' 10' ' ' ILE . . . . . 0.56 HD13 ' HB ' ' H' ' 2' ' ' VAL . 2.0 mp 71.63 143.99 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.489 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' K' K ' 11' ' ' CYS . . . . . 0.598 ' SG ' ' HG2' ' K' ' 5' ' ' GLN . 75.5 m -98.41 167.2 10.98 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 120.901 0.382 . . . . 0.0 110.82 179.499 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' K' K ' 12' ' ' SER . . . . . . . . . . . . . 17.2 t -74.0 156.97 36.99 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 178.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' K' K ' 13' ' ' LEU . . . . . 0.409 HD22 HG12 ' L' ' 18' ' ' VAL . 10.0 tt -59.52 -56.69 18.83 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.682 -178.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -65.56 -16.01 63.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.563 0.22 . . . . 0.0 111.357 -179.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' K' K ' 15' ' ' GLN . . . . . 0.527 HE21 ' NE2' ' K' ' 5' ' ' GLN . 35.5 tt0 -78.18 -23.71 47.5 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-O 120.977 0.418 . . . . 0.0 110.25 179.466 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' K' K ' 16' ' ' LEU . . . . . . . . . . . . . 97.0 mt -80.28 -26.82 38.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.991 178.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' K' K ' 17' ' ' GLU . . . . . 0.681 ' HA ' ' SG ' ' K' ' 20' ' ' CYS . 0.7 OUTLIER -63.33 -18.67 63.88 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.007 179.264 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' K' K ' 18' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -64.08 -18.07 64.03 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.164 179.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' K' K ' 19' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -112.6 1.17 15.68 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -178.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' K' K ' 20' ' ' CYS . . . . . 0.681 ' SG ' ' HA ' ' K' ' 17' ' ' GLU . 81.6 m -73.13 140.07 46.84 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.949 0.404 . . . . 0.0 111.37 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' K' K ' 21' ' ' ASN . . . . . . . . . . . . . 2.8 m120 . . . . . 0 C--O 1.246 0.884 0 CA-C-O 118.517 -0.754 . . . . 0.0 110.226 179.659 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' L' L ' 1' ' ' PHE . . . . . . . . . . . . . 6.2 p90 . . . . . 0 N--CA 1.482 1.153 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' L' L ' 2' ' ' VAL . . . . . 0.576 HG22 ' HB2' ' L' ' 6' ' ' LEU . 16.4 m -118.21 175.41 3.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 C-N-CA 120.38 -0.528 . . . . 0.0 110.889 179.627 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' L' L ' 3' ' ' ASN . . . . . 0.446 ' H ' ' CD1' ' C' ' 10' ' ' ILE . 60.8 t30 -106.56 -179.72 4.02 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.094 -178.514 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' L' L ' 4' ' ' GLN . . . . . 0.64 ' HA ' ' HB3' ' L' ' 7' ' ' CYS . 0.2 OUTLIER -49.63 -29.32 7.03 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 123.717 0.807 . . . . 0.0 111.827 179.344 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' L' L ' 5' ' ' HIS . . . . . 0.613 ' NE2' ' HG ' ' J' ' 17' ' ' LEU . 47.0 t60 -57.81 -20.62 37.11 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.793 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' L' L ' 6' ' ' LEU . . . . . 0.576 ' HB2' HG22 ' L' ' 2' ' ' VAL . 30.4 mt -120.23 -21.67 6.87 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.28 0.562 . . . . 0.0 110.203 178.775 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' L' L ' 7' ' ' CYS . . . . . 0.64 ' HB3' ' HA ' ' L' ' 4' ' ' GLN . 28.2 t -73.26 -36.3 66.35 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.103 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' L' L ' 8' ' ' GLY . . . . . 0.406 ' HA3' ' OH ' ' L' ' 26' ' ' TYR . . . -52.31 -50.34 47.28 Favored Glycine 0 C--O 1.227 -0.292 0 CA-C-N 116.018 -0.537 . . . . 0.0 114.424 -179.116 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' L' L ' 9' ' ' SER . . . . . 0.592 ' OG ' ' HB3' ' J' ' 13' ' ' GLU . 31.6 t -49.85 -44.56 49.72 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.175 0.512 . . . . 0.0 112.309 -179.113 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' L' L ' 10' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -70.73 -17.14 62.81 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.293 -178.243 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' L' L ' 11' ' ' LEU . . . . . 0.733 HD13 ' HB2' ' K' ' 7' ' ' CYS . 12.4 mt -87.91 -35.16 17.86 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 107.156 -1.424 . . . . 0.0 107.156 176.258 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' L' L ' 12' ' ' VAL . . . . . 1.026 HG13 HG13 ' J' ' 12' ' ' VAL . 52.2 t -66.03 -47.44 85.05 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-N 114.49 -1.232 . . . . 0.0 112.19 -179.705 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' L' L ' 13' ' ' GLU . . . . . 0.562 ' HB3' ' OG ' ' J' ' 9' ' ' SER . 14.3 pt-20 -54.42 -40.9 68.73 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.621 0.248 . . . . 0.0 111.369 -178.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' L' L ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.07 -31.04 44.27 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.854 0.359 . . . . 0.0 110.213 178.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' L' L ' 15' ' ' LEU . . . . . 0.523 HD13 HD12 ' K' ' 2' ' ' ILE . 0.9 OUTLIER -58.07 -60.16 4.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.241 179.534 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' L' L ' 16' ' ' TYR . . . . . 0.761 ' HB2' ' HG3' ' J' ' 28' ' ' PRO . 6.1 p90 -69.92 -18.23 63.37 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.416 -0.514 . . . . 0.0 110.888 -179.308 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' L' L ' 17' ' ' LEU . . . . . 0.615 ' HG ' ' NE2' ' J' ' 5' ' ' HIS . 4.8 tt -69.43 -38.54 77.89 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 178.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' L' L ' 18' ' ' VAL . . . . . 0.409 HG12 HD22 ' K' ' 13' ' ' LEU . 72.2 t -70.69 -43.26 77.56 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 CA-C-N 115.734 -0.667 . . . . 0.0 109.395 178.192 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' L' L ' 19' ' ' CYS . . . . . . . . . . . . . 84.1 m -61.98 -31.53 71.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.314 179.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' L' L ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.86 -101.67 0.75 Allowed Glycine 0 N--CA 1.451 -0.36 0 CA-C-N 115.987 -0.551 . . . . 0.0 113.27 179.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' L' L ' 21' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -87.07 -5.08 59.17 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.172 0.511 . . . . 0.0 110.324 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' L' L ' 22' ' ' ARG . . . . . . . . . . . . . 67.3 mtt85 -97.7 158.17 15.65 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.449 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' L' L ' 23' ' ' GLY . . . . . 0.827 ' HA2' ' HD2' ' J' ' 28' ' ' PRO . . . -103.92 -159.86 24.57 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.833 -0.699 . . . . 0.0 111.931 179.631 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' L' L ' 24' ' ' PHE . . . . . 0.861 ' HZ ' HG12 ' L' ' 12' ' ' VAL . 6.0 p90 -171.74 -175.55 1.57 Allowed 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' L' L ' 25' ' ' PHE . . . . . . . . . . . . . 9.4 p90 -125.75 150.51 47.68 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 178.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' L' L ' 26' ' ' TYR . . . . . 0.406 ' OH ' ' HA3' ' L' ' 8' ' ' GLY . 72.2 t80 -145.21 119.69 9.68 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.7 -0.4 . . . . 0.0 111.248 -179.336 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' L' L ' 27' ' ' THR . . . . . 0.676 HG21 ' HA3' ' J' ' 23' ' ' GLY . 6.6 p -124.11 99.28 37.74 Favored Pre-proline 0 C--N 1.321 -0.674 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.847 178.781 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' L' L ' 28' ' ' PRO . . . . . 0.835 ' HD2' ' HA2' ' J' ' 23' ' ' GLY . 65.2 Cg_endo -74.42 55.63 3.68 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 123.215 2.61 . . . . 0.0 113.794 -178.525 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' L' L ' 29' ' ' LYS . . . . . . . . . . . . . 4.7 ttpm? . . . . . 0 C--N 1.322 -0.601 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 178.56 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.352 0 N-CA-C 112.191 -0.364 . . . . 0.0 112.191 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.7 tt -164.6 -38.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 120.999 0.428 . . . . 0.0 110.615 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.597 HG12 ' HG3' ' B' ' 4' ' ' GLN . 97.7 t -65.7 -48.22 83.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.404 0.621 . . . . 0.0 110.609 179.563 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.434 ' H ' ' CD ' ' A' ' 4' ' ' GLU . 0.4 OUTLIER -68.22 -18.77 64.66 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.453 -179.713 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.493 ' HG2' ' SG ' ' A' ' 11' ' ' CYS . 36.4 tt0 -98.69 -39.98 8.4 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 -177.574 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 84.2 m -104.21 -35.53 7.98 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 114.226 1.195 . . . . 0.0 114.226 -177.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.482 ' HB2' HD12 ' B' ' 11' ' ' LEU . 52.1 t -73.3 -13.15 61.07 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 121.827 -0.546 . . . . 0.0 111.094 -178.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.15 -61.08 1.92 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.123 179.472 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.444 ' O ' ' HB ' ' A' ' 10' ' ' ILE . 70.7 m -151.1 31.57 0.61 Allowed 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.487 HG12 ' HB3' ' F' ' 5' ' ' HIS . 1.7 mp 72.63 145.23 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 178.709 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.493 ' SG ' ' HG2' ' A' ' 5' ' ' GLN . 95.8 m -104.85 171.97 7.04 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.596 179.3 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.7 m -81.06 168.01 19.12 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.698 0.285 . . . . 0.0 110.447 178.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.513 ' HG ' HG12 ' B' ' 18' ' ' VAL . 10.1 tt -57.39 -54.08 50.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.941 -178.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -69.49 -17.62 63.62 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -178.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -70.7 -36.91 73.51 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 178.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.437 ' HB3' HD22 ' B' ' 15' ' ' LEU . 89.8 mt -71.98 -31.45 66.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.545 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -62.36 -22.03 65.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.295 -179.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -70.54 -10.33 58.96 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.535 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -104.41 3.6 32.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.655 0.264 . . . . 0.0 110.852 -179.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 68.4 m -67.99 161.06 27.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.248 0.547 . . . . 0.0 112.1 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.9 m120 . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.096 -0.954 . . . . 0.0 109.771 179.2 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . 0.651 ' O ' HG21 ' B' ' 2' ' ' VAL . 54.9 t80 . . . . . 0 N--CA 1.483 1.193 0 N-CA-C 111.207 0.077 . . . . 0.0 111.207 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . 0.651 HG21 ' O ' ' B' ' 1' ' ' PHE . 28.2 m 46.54 -147.28 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 124.072 0.949 . . . . 0.0 112.613 -179.298 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -159.85 -172.46 3.66 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -178.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . 0.794 ' HA ' ' HB3' ' B' ' 7' ' ' CYS . 0.1 OUTLIER -56.55 -25.38 51.93 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 122.671 0.389 . . . . 0.0 110.199 179.285 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . 0.507 ' NE2' ' HG ' ' D' ' 17' ' ' LEU . 35.0 t60 -58.63 -18.31 29.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.263 179.372 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 35.8 mt -127.13 -8.0 5.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.278 0.561 . . . . 0.0 110.288 178.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . 0.794 ' HB3' ' HA ' ' B' ' 4' ' ' GLN . 5.4 t -89.76 -43.97 10.31 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.854 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . 0.649 ' HA2' HD13 ' B' ' 11' ' ' LEU . . . -62.67 -27.7 70.3 Favored Glycine 0 N--CA 1.45 -0.389 0 CA-C-N 116.149 -0.478 . . . . 0.0 113.302 -179.472 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' SER . . . . . 0.89 ' HB2' ' HG2' ' D' ' 13' ' ' GLU . 38.8 p -62.03 -24.7 67.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.935 0.398 . . . . 0.0 111.313 -179.353 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . 0.466 ' HA ' ' HG3' ' B' ' 13' ' ' GLU . 98.4 m-70 -99.23 -17.51 18.08 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.879 0.371 . . . . 0.0 111.193 -179.122 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.649 HD13 ' HA2' ' B' ' 8' ' ' GLY . 52.9 mt -71.09 -40.32 71.61 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 177.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.537 ' HA ' ' HB2' ' B' ' 15' ' ' LEU . 3.1 m -68.59 -27.26 35.62 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-N 115.039 -0.982 . . . . 0.0 111.904 179.578 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.895 ' HG2' ' HB2' ' D' ' 9' ' ' SER . 39.8 mt-10 -59.98 -46.88 88.01 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-O 121.458 0.647 . . . . 0.0 109.774 179.425 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.35 -26.59 52.15 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.375 179.071 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.537 ' HB2' ' HA ' ' B' ' 12' ' ' VAL . 12.8 mt -55.28 -57.43 11.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.977 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . 1.043 ' HB3' ' HE2' ' B' ' 24' ' ' PHE . 18.5 p90 -74.34 -27.21 60.58 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 119.89 -0.724 . . . . 0.0 111.393 -179.091 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.511 ' HG ' ' NE2' ' D' ' 5' ' ' HIS . 7.2 tt -67.1 -51.4 54.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.169 179.745 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . 0.513 HG12 ' HG ' ' A' ' 13' ' ' LEU . 77.7 t -70.7 -35.95 62.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.141 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 37.9 t -66.25 -23.21 66.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.82 0.343 . . . . 0.0 111.24 -179.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.53 25.8 27.0 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.346 -0.931 . . . . 0.0 111.957 179.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 64.43 24.39 13.16 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.983 0.734 . . . . 0.0 112.983 179.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 65.0 mtt180 -70.45 -39.2 74.46 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.825 0.822 . . . . 0.0 108.896 178.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . 0.469 ' HA3' HG23 ' D' ' 27' ' ' THR . . . 127.7 162.29 11.05 Favored Glycine 0 N--CA 1.441 -1.003 0 CA-C-N 114.393 -1.276 . . . . 0.0 110.319 -178.636 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . 1.043 ' HE2' ' HB3' ' B' ' 16' ' ' TYR . 37.5 p90 -165.02 173.77 11.18 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 117.298 0.549 . . . . 0.0 110.512 -179.646 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 5.2 p90 -126.36 139.54 53.2 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.373 178.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -131.18 104.37 7.03 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' THR . . . . . 0.472 HG23 ' HA3' ' D' ' 23' ' ' GLY . 7.5 p -122.82 95.45 46.37 Favored Pre-proline 0 C--N 1.318 -0.762 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.808 -179.179 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -80.81 40.05 0.94 Allowed 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.946 2.431 . . . . 0.0 111.3 179.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -128.13 90.74 3.14 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.816 -1.084 . . . . 0.0 109.504 -179.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 13.1 t . . . . . 0 C--O 1.246 0.883 0 CA-C-O 118.84 -0.6 . . . . 0.0 109.568 -179.054 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.462 0 N-CA-C 112.092 -0.403 . . . . 0.0 112.092 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 9.4 tt -167.41 -37.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-O 120.763 0.316 . . . . 0.0 110.762 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 3' ' ' VAL . . . . . 0.626 HG12 ' HG3' ' D' ' 4' ' ' GLN . 90.6 t -66.97 -46.88 83.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.382 0.61 . . . . 0.0 110.936 179.369 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 4' ' ' GLU . . . . . 0.455 ' CD ' ' H ' ' C' ' 4' ' ' GLU . 0.4 OUTLIER -68.94 -20.88 64.21 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.001 -179.782 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' C' C ' 5' ' ' GLN . . . . . 0.473 ' HG2' ' SG ' ' C' ' 11' ' ' CYS . 36.0 tt0 -96.71 -40.18 9.1 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -177.459 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 84.4 m -103.89 -35.49 8.14 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 114.28 1.215 . . . . 0.0 114.28 -176.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 7' ' ' CYS . . . . . 0.48 ' HB2' HD12 ' D' ' 11' ' ' LEU . 52.6 t -73.23 -13.46 61.15 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.471 -0.492 . . . . 0.0 111.103 -179.045 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.97 -59.87 2.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.257 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 9' ' ' SER . . . . . 0.457 ' O ' ' HB ' ' C' ' 10' ' ' ILE . 73.7 m -152.29 31.21 0.54 Allowed 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 111.735 0.272 . . . . 0.0 111.735 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . 0.481 HG12 ' HB3' ' L' ' 5' ' ' HIS . 1.7 mp 72.96 145.15 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 178.601 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 11' ' ' CYS . . . . . 0.473 ' SG ' ' HG2' ' C' ' 5' ' ' GLN . 99.1 m -104.51 172.47 6.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.426 -0.807 . . . . 0.0 110.296 179.33 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 34.0 m -81.5 169.07 17.57 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.365 178.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 13' ' ' LEU . . . . . 0.509 ' HG ' HG12 ' D' ' 18' ' ' VAL . 10.2 tt -58.53 -53.81 54.17 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 123.001 0.521 . . . . 0.0 111.849 -179.104 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -69.79 -16.55 63.31 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -179.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -71.97 -37.09 69.98 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.852 0.358 . . . . 0.0 110.124 178.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 16' ' ' LEU . . . . . 0.461 ' HB3' HD22 ' D' ' 15' ' ' LEU . 87.5 mt -71.92 -30.41 65.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.796 179.627 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -63.14 -21.1 65.97 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.273 -179.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -71.57 -9.05 57.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.323 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -105.96 4.37 29.41 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.78 0.324 . . . . 0.0 110.777 -179.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 67.1 m -68.99 159.97 31.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.391 0.615 . . . . 0.0 111.788 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 2.7 m120 . . . . . 0 C--O 1.252 1.206 0 CA-C-O 118.416 -0.802 . . . . 0.0 110.015 179.232 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' D' D ' 1' ' ' PHE . . . . . 0.64 ' O ' HG21 ' D' ' 2' ' ' VAL . 57.9 t80 . . . . . 0 N--CA 1.483 1.196 0 N-CA-C 111.264 0.098 . . . . 0.0 111.264 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 2' ' ' VAL . . . . . 0.64 HG21 ' O ' ' D' ' 1' ' ' PHE . 28.6 m 45.69 -146.54 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 124.059 0.944 . . . . 0.0 112.544 -179.055 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 3' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -160.45 -173.27 3.91 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 -178.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 4' ' ' GLN . . . . . 0.791 ' HA ' ' HB3' ' D' ' 7' ' ' CYS . 0.0 OUTLIER -56.4 -24.72 46.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.842 0.353 . . . . 0.0 110.204 179.572 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' D' D ' 5' ' ' HIS . . . . . 0.511 ' NE2' ' HG ' ' B' ' 17' ' ' LEU . 34.9 t60 -58.78 -18.49 32.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.85 -0.613 . . . . 0.0 111.301 179.376 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 35.3 mt -126.66 -9.26 6.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.262 0.554 . . . . 0.0 110.333 178.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 7' ' ' CYS . . . . . 0.791 ' HB3' ' HA ' ' D' ' 4' ' ' GLN . 5.9 t -88.3 -43.67 11.38 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.149 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 8' ' ' GLY . . . . . 0.646 ' HA2' HD13 ' D' ' 11' ' ' LEU . . . -62.42 -28.63 71.42 Favored Glycine 0 N--CA 1.45 -0.413 0 CA-C-N 116.059 -0.519 . . . . 0.0 113.379 -179.397 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 9' ' ' SER . . . . . 0.895 ' HB2' ' HG2' ' B' ' 13' ' ' GLU . 38.3 p -61.56 -24.83 66.91 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.947 0.403 . . . . 0.0 111.488 -179.283 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 10' ' ' HIS . . . . . 0.465 ' HA ' ' HG3' ' D' ' 13' ' ' GLU . 98.4 m-70 -99.04 -17.14 18.41 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.04 -179.229 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 11' ' ' LEU . . . . . 0.646 HD13 ' HA2' ' D' ' 8' ' ' GLY . 52.5 mt -71.61 -40.34 69.9 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 177.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 12' ' ' VAL . . . . . 0.541 ' HA ' ' HB2' ' D' ' 15' ' ' LEU . 3.2 m -68.87 -27.12 34.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.097 -0.956 . . . . 0.0 111.802 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 13' ' ' GLU . . . . . 0.89 ' HG2' ' HB2' ' B' ' 9' ' ' SER . 41.1 mt-10 -59.84 -46.69 88.48 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.327 0.584 . . . . 0.0 109.771 179.379 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.39 -26.54 51.91 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.464 179.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 15' ' ' LEU . . . . . 0.541 ' HB2' ' HA ' ' D' ' 12' ' ' VAL . 12.9 mt -55.66 -57.29 12.6 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.899 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 16' ' ' TYR . . . . . 1.066 ' HB3' ' HE2' ' D' ' 24' ' ' PHE . 18.7 p90 -74.18 -27.57 60.88 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 119.665 -0.814 . . . . 0.0 111.262 -179.058 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . 0.507 ' HG ' ' NE2' ' B' ' 5' ' ' HIS . 7.0 tt -67.03 -50.94 60.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.91 0.386 . . . . 0.0 110.34 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . 0.509 HG12 ' HG ' ' C' ' 13' ' ' LEU . 76.7 t -70.83 -37.15 67.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.123 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 19' ' ' CYS . . . . . . . . . . . . . 37.7 t -64.71 -24.62 67.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.32 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.33 27.45 20.43 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.37 -0.919 . . . . 0.0 111.911 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 63.07 23.3 13.89 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 179.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 22' ' ' ARG . . . . . . . . . . . . . 66.2 mtt180 -69.49 -41.42 76.16 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 121.995 0.902 . . . . 0.0 108.661 178.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 23' ' ' GLY . . . . . 0.472 ' HA3' HG23 ' B' ' 27' ' ' THR . . . 129.72 162.77 10.94 Favored Glycine 0 N--CA 1.44 -1.068 0 CA-C-N 114.325 -1.307 . . . . 0.0 110.201 -178.767 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 24' ' ' PHE . . . . . 1.066 ' HE2' ' HB3' ' D' ' 16' ' ' TYR . 37.8 p90 -164.91 174.49 10.5 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 117.134 0.467 . . . . 0.0 110.603 -179.733 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 25' ' ' PHE . . . . . . . . . . . . . 5.0 p90 -126.88 139.44 53.07 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.367 178.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 26' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -131.29 103.52 6.51 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.174 0.511 . . . . 0.0 109.74 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 27' ' ' THR . . . . . 0.469 HG23 ' HA3' ' B' ' 23' ' ' GLY . 8.4 p -121.8 95.39 47.83 Favored Pre-proline 0 C--N 1.318 -0.798 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.894 -179.334 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 28' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -81.36 43.37 1.52 Allowed 'Trans proline' 0 N--CA 1.463 -0.286 0 C-N-CA 122.727 2.285 . . . . 0.0 110.954 179.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -131.36 90.23 2.83 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.68 -1.146 . . . . 0.0 109.31 -178.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 14.5 t . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.756 -0.64 . . . . 0.0 109.979 -178.807 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.667 0 N-CA-C 112.215 -0.354 . . . . 0.0 112.215 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' E' E ' 2' ' ' ILE . . . . . . . . . . . . . 9.4 tt -167.45 -36.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 120.743 0.306 . . . . 0.0 110.787 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 3' ' ' VAL . . . . . 0.613 HG12 ' HG3' ' F' ' 4' ' ' GLN . 97.4 t -67.77 -47.13 80.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.253 0.549 . . . . 0.0 110.309 179.414 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' E' E ' 4' ' ' GLU . . . . . 0.452 ' H ' ' CD ' ' E' ' 4' ' ' GLU . 0.4 OUTLIER -68.69 -20.23 64.41 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.38 -179.778 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' E' E ' 5' ' ' GLN . . . . . 0.522 ' HG2' ' SG ' ' E' ' 11' ' ' CYS . 37.4 tt0 -97.74 -39.89 8.83 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 -177.486 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' E' E ' 6' ' ' CYS . . . . . . . . . . . . . 85.9 m -103.92 -35.94 7.96 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 -176.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 7' ' ' CYS . . . . . 0.482 ' HB2' HD12 ' F' ' 11' ' ' LEU . 52.8 t -73.39 -12.47 60.83 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.546 -0.462 . . . . 0.0 111.048 -178.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.51 -59.22 2.83 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.26 179.556 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' E' E ' 9' ' ' SER . . . . . 0.46 ' O ' ' HB ' ' E' ' 10' ' ' ILE . 66.7 m -153.27 31.52 0.48 Allowed 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 111.844 0.313 . . . . 0.0 111.844 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' E' E ' 10' ' ' ILE . . . . . 0.489 HG12 ' HB3' ' J' ' 5' ' ' HIS . 1.7 mp 72.66 144.94 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 CA-C-O 121.456 0.646 . . . . 0.0 112.729 178.677 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' E' E ' 11' ' ' CYS . . . . . 0.522 ' SG ' ' HG2' ' E' ' 5' ' ' GLN . 98.3 m -104.1 173.01 6.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.254 -0.884 . . . . 0.0 110.194 179.422 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' E' E ' 12' ' ' SER . . . . . . . . . . . . . 45.7 m -83.01 168.44 16.97 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.685 0.278 . . . . 0.0 110.476 178.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 13' ' ' LEU . . . . . 0.507 ' HG ' HG12 ' F' ' 18' ' ' VAL . 10.1 tt -57.24 -54.18 49.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.862 -178.697 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -69.58 -17.23 63.53 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -179.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -70.55 -37.59 74.06 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 178.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 16' ' ' LEU . . . . . 0.449 ' HB3' HD22 ' F' ' 15' ' ' LEU . 86.1 mt -71.77 -30.54 65.67 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.892 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' E' E ' 17' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -63.29 -20.19 65.25 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.477 -179.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 18' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -71.97 -11.88 60.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.886 0.375 . . . . 0.0 111.116 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 19' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -103.29 5.09 37.23 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.83 0.348 . . . . 0.0 111.289 -179.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 20' ' ' CYS . . . . . . . . . . . . . 67.0 m -69.33 160.02 32.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.3 0.572 . . . . 0.0 111.85 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 21' ' ' ASN . . . . . . . . . . . . . 2.7 m120 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.321 -0.847 . . . . 0.0 110.563 179.594 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' F' F ' 1' ' ' PHE . . . . . 0.645 ' O ' HG21 ' F' ' 2' ' ' VAL . 55.6 t80 . . . . . 0 N--CA 1.484 1.254 0 N-CA-C 111.3 0.111 . . . . 0.0 111.3 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 2' ' ' VAL . . . . . 0.645 HG21 ' O ' ' F' ' 1' ' ' PHE . 27.5 m 46.53 -147.36 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 124.194 0.997 . . . . 0.0 112.418 -179.247 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' F' F ' 3' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -159.47 -171.95 3.52 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 -178.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 4' ' ' GLN . . . . . 0.806 ' HA ' ' HB3' ' F' ' 7' ' ' CYS . 0.0 OUTLIER -57.42 -24.06 53.27 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 122.635 0.374 . . . . 0.0 110.162 179.477 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' F' F ' 5' ' ' HIS . . . . . 0.498 ' NE2' ' HG ' ' H' ' 17' ' ' LEU . 35.8 t60 -59.42 -18.05 35.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.337 179.375 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' F' F ' 6' ' ' LEU . . . . . . . . . . . . . 32.4 mt -127.26 -8.98 5.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.237 0.541 . . . . 0.0 110.132 178.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 7' ' ' CYS . . . . . 0.806 ' HB3' ' HA ' ' F' ' 4' ' ' GLN . 6.4 t -88.63 -43.68 11.17 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.053 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' F' F ' 8' ' ' GLY . . . . . 0.61 ' HA2' HD13 ' F' ' 11' ' ' LEU . . . -62.74 -28.27 71.34 Favored Glycine 0 N--CA 1.451 -0.313 0 CA-C-N 116.038 -0.528 . . . . 0.0 113.323 -179.423 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' F' F ' 9' ' ' SER . . . . . 0.873 ' HB2' ' HG2' ' H' ' 13' ' ' GLU . 28.8 p -61.77 -24.75 67.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.903 0.382 . . . . 0.0 111.415 -179.284 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' F' F ' 10' ' ' HIS . . . . . 0.474 ' HA ' ' HG3' ' F' ' 13' ' ' GLU . 98.4 m-70 -99.09 -17.2 18.34 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.854 0.359 . . . . 0.0 111.174 -179.192 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' F' F ' 11' ' ' LEU . . . . . 0.61 HD13 ' HA2' ' F' ' 8' ' ' GLY . 53.7 mt -71.47 -40.51 70.23 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 177.778 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' F' F ' 12' ' ' VAL . . . . . 0.553 ' HA ' ' HB2' ' F' ' 15' ' ' LEU . 2.9 m -68.37 -27.66 37.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 CA-C-N 114.975 -1.011 . . . . 0.0 111.767 179.495 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' F' F ' 13' ' ' GLU . . . . . 0.873 ' HG2' ' HB2' ' H' ' 9' ' ' SER . 39.8 mt-10 -59.32 -46.97 87.13 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.376 0.608 . . . . 0.0 109.849 179.274 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' F' F ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.47 -26.65 51.59 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.45 179.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 15' ' ' LEU . . . . . 0.553 ' HB2' ' HA ' ' F' ' 12' ' ' VAL . 12.7 mt -55.53 -57.2 12.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.974 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' F' F ' 16' ' ' TYR . . . . . 1.086 ' HB3' ' HE2' ' F' ' 24' ' ' PHE . 19.0 p90 -74.37 -27.58 60.72 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 119.7 -0.8 . . . . 0.0 111.254 -179.087 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' F' F ' 17' ' ' LEU . . . . . 0.51 ' HG ' ' NE2' ' H' ' 5' ' ' HIS . 7.2 tt -67.0 -50.41 62.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.332 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . 0.507 HG12 ' HG ' ' E' ' 13' ' ' LEU . 79.7 t -71.36 -37.42 65.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.977 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' F' F ' 19' ' ' CYS . . . . . . . . . . . . . 35.8 t -64.32 -25.23 67.95 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.291 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.4 25.98 22.11 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.092 -1.051 . . . . 0.0 111.72 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 64.05 24.11 13.44 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 179.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 22' ' ' ARG . . . . . . . . . . . . . 64.3 mtt180 -69.76 -40.6 76.0 Favored 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 178.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 23' ' ' GLY . . . . . 0.467 ' HA3' HG23 ' H' ' 27' ' ' THR . . . 128.86 162.81 11.08 Favored Glycine 0 N--CA 1.44 -1.073 0 CA-C-N 114.151 -1.386 . . . . 0.0 110.332 -178.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' F' F ' 24' ' ' PHE . . . . . 1.086 ' HE2' ' HB3' ' F' ' 16' ' ' TYR . 37.9 p90 -164.84 174.48 10.56 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 117.28 0.54 . . . . 0.0 110.518 -179.768 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' F' F ' 25' ' ' PHE . . . . . . . . . . . . . 5.2 p90 -127.06 139.59 52.89 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 178.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 26' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -131.46 103.82 6.64 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.183 0.516 . . . . 0.0 109.76 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 27' ' ' THR . . . . . 0.478 HG23 ' HA3' ' H' ' 23' ' ' GLY . 11.4 p -121.98 96.0 47.12 Favored Pre-proline 0 C--N 1.319 -0.743 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.808 -179.476 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' F' F ' 28' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -80.59 39.44 0.85 Allowed 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.692 2.261 . . . . 0.0 111.162 179.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 29' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -127.69 91.85 3.37 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.072 -0.967 . . . . 0.0 109.361 -179.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 30' ' ' THR . . . . . . . . . . . . . 14.7 t . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.764 -0.636 . . . . 0.0 109.564 -179.153 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' G' G ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.893 0 N-CA-C 112.72 -0.152 . . . . 0.0 112.72 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' G' G ' 2' ' ' ILE . . . . . 0.402 HG21 ' N ' ' G' ' 3' ' ' VAL . 9.8 tt -165.76 -37.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 120.887 0.375 . . . . 0.0 110.542 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' G' G ' 3' ' ' VAL . . . . . 0.584 HG12 ' HG3' ' H' ' 4' ' ' GLN . 93.4 t -66.19 -47.92 83.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.316 0.579 . . . . 0.0 110.498 179.259 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' G' G ' 4' ' ' GLU . . . . . 0.459 ' H ' ' CD ' ' G' ' 4' ' ' GLU . 0.3 OUTLIER -68.62 -18.01 64.22 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.32 -0.855 . . . . 0.0 111.593 -179.698 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' G' G ' 5' ' ' GLN . . . . . 0.501 ' HG2' ' SG ' ' G' ' 11' ' ' CYS . 36.4 tt0 -99.38 -40.67 7.77 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 -177.48 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' G' G ' 6' ' ' CYS . . . . . . . . . . . . . 85.8 m -103.29 -36.19 8.15 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 114.274 1.213 . . . . 0.0 114.274 -176.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 7' ' ' CYS . . . . . 0.504 ' HB2' HD12 ' H' ' 11' ' ' LEU . 52.8 t -73.36 -12.37 60.8 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 118.279 0.491 . . . . 0.0 111.306 -178.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' G' G ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.77 -60.54 2.18 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.002 179.503 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' G' G ' 9' ' ' SER . . . . . 0.427 ' O ' ' HB ' ' G' ' 10' ' ' ILE . 71.3 m -151.81 33.06 0.55 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.665 0.246 . . . . 0.0 111.665 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' G' G ' 10' ' ' ILE . . . . . 0.492 HG12 ' HB3' ' D' ' 5' ' ' HIS . 1.8 mp 71.4 145.79 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 N-CA-C 112.855 0.687 . . . . 0.0 112.855 178.617 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' G' G ' 11' ' ' CYS . . . . . 0.501 ' SG ' ' HG2' ' G' ' 5' ' ' GLN . 98.8 m -105.13 172.36 6.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.35 179.261 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' G' G ' 12' ' ' SER . . . . . . . . . . . . . 48.4 m -81.88 168.54 17.83 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.731 0.301 . . . . 0.0 110.507 178.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 13' ' ' LEU . . . . . 0.513 ' HG ' HG12 ' H' ' 18' ' ' VAL . 10.2 tt -57.55 -54.25 48.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.925 -178.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -69.34 -17.54 63.72 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -179.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -70.58 -37.54 73.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.792 0.329 . . . . 0.0 110.135 178.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 16' ' ' LEU . . . . . 0.426 ' HB3' HD22 ' H' ' 15' ' ' LEU . 90.3 mt -71.56 -31.13 66.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.727 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' G' G ' 17' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -62.62 -20.61 64.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.603 -179.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 18' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -71.28 -11.99 61.21 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.907 0.384 . . . . 0.0 111.15 179.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 19' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -102.95 4.65 37.71 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.795 0.331 . . . . 0.0 111.044 -179.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 20' ' ' CYS . . . . . . . . . . . . . 67.6 m -69.4 158.39 35.2 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.369 0.604 . . . . 0.0 112.057 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 21' ' ' ASN . . . . . . . . . . . . . 2.8 m120 . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.379 -0.82 . . . . 0.0 109.887 179.029 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' H' H ' 1' ' ' PHE . . . . . 0.645 ' O ' HG21 ' H' ' 2' ' ' VAL . 54.9 t80 . . . . . 0 N--CA 1.483 1.213 0 CA-C-O 120.437 0.16 . . . . 0.0 111.303 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 2' ' ' VAL . . . . . 0.645 HG21 ' O ' ' H' ' 1' ' ' PHE . 27.7 m 45.94 -147.49 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 C-N-CA 124.125 0.97 . . . . 0.0 112.437 -179.252 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' H' H ' 3' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -159.17 -171.92 3.56 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 122.094 -0.379 . . . . 0.0 110.024 -178.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 4' ' ' GLN . . . . . 0.812 ' HA ' ' HB3' ' H' ' 7' ' ' CYS . 0.0 OUTLIER -56.49 -25.99 52.99 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 123.413 0.446 . . . . 0.0 110.204 179.369 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' H' H ' 5' ' ' HIS . . . . . 0.51 ' NE2' ' HG ' ' F' ' 17' ' ' LEU . 34.5 t60 -57.68 -18.81 22.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.493 179.453 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' H' H ' 6' ' ' LEU . . . . . . . . . . . . . 35.3 mt -126.58 -9.38 6.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.41 0.624 . . . . 0.0 110.358 178.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 7' ' ' CYS . . . . . 0.812 ' HB3' ' HA ' ' H' ' 4' ' ' GLN . 6.0 t -88.15 -43.76 11.41 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.061 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' H' H ' 8' ' ' GLY . . . . . 0.649 ' HA2' HD13 ' H' ' 11' ' ' LEU . . . -62.62 -28.16 70.99 Favored Glycine 0 N--CA 1.45 -0.367 0 CA-C-N 116.08 -0.509 . . . . 0.0 113.422 -179.271 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' H' H ' 9' ' ' SER . . . . . 0.873 ' HB2' ' HG2' ' F' ' 13' ' ' GLU . 36.9 p -61.98 -24.56 67.1 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.946 0.403 . . . . 0.0 111.42 -179.269 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' H' H ' 10' ' ' HIS . . . . . 0.45 ' HA ' ' HG3' ' H' ' 13' ' ' GLU . 98.3 m-70 -98.92 -17.4 18.38 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.868 0.366 . . . . 0.0 111.11 -179.37 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' H' H ' 11' ' ' LEU . . . . . 0.649 HD13 ' HA2' ' H' ' 8' ' ' GLY . 48.9 mt -71.28 -40.51 70.85 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 177.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' H' H ' 12' ' ' VAL . . . . . 0.544 ' HA ' ' HB2' ' H' ' 15' ' ' LEU . 3.0 m -68.52 -27.45 36.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.074 -0.966 . . . . 0.0 111.898 179.636 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' H' H ' 13' ' ' GLU . . . . . 0.873 ' HG2' ' HB2' ' F' ' 9' ' ' SER . 40.4 mt-10 -59.57 -46.58 88.51 Favored 'General case' 0 CA--C 1.521 -0.138 0 CA-C-O 121.364 0.602 . . . . 0.0 109.844 179.277 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' H' H ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.79 -26.54 49.75 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.517 179.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 15' ' ' LEU . . . . . 0.544 ' HB2' ' HA ' ' H' ' 12' ' ' VAL . 12.9 mt -55.48 -57.62 11.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.246 -0.433 . . . . 0.0 112.042 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' H' H ' 16' ' ' TYR . . . . . 1.037 ' HB3' ' HE2' ' H' ' 24' ' ' PHE . 18.3 p90 -74.14 -27.48 60.87 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 119.781 -0.767 . . . . 0.0 111.25 -179.071 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' H' H ' 17' ' ' LEU . . . . . 0.498 ' HG ' ' NE2' ' F' ' 5' ' ' HIS . 7.1 tt -66.85 -51.38 56.15 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.194 179.775 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . 0.513 HG12 ' HG ' ' G' ' 13' ' ' LEU . 79.7 t -70.49 -37.25 69.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.175 179.703 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' H' H ' 19' ' ' CYS . . . . . . . . . . . . . 36.5 t -64.61 -24.11 67.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.388 -179.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.88 26.96 23.0 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.325 -0.94 . . . . 0.0 111.881 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 21' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 63.26 24.44 14.3 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 179.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 22' ' ' ARG . . . . . . . . . . . . . 69.0 mtt180 -70.12 -39.51 75.4 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.756 0.789 . . . . 0.0 108.945 177.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 23' ' ' GLY . . . . . 0.478 ' HA3' HG23 ' F' ' 27' ' ' THR . . . 127.8 162.78 11.2 Favored Glycine 0 N--CA 1.441 -1.0 0 CA-C-N 114.191 -1.368 . . . . 0.0 110.316 -178.391 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' H' H ' 24' ' ' PHE . . . . . 1.037 ' HE2' ' HB3' ' H' ' 16' ' ' TYR . 36.5 p90 -165.19 174.39 10.32 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 117.205 0.503 . . . . 0.0 110.461 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' H' H ' 25' ' ' PHE . . . . . . . . . . . . . 4.9 p90 -126.91 139.63 52.93 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 178.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 26' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -131.23 103.42 6.46 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.09 0.471 . . . . 0.0 109.734 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 27' ' ' THR . . . . . 0.467 HG23 ' HA3' ' F' ' 23' ' ' GLY . 6.1 p -121.84 95.8 47.49 Favored Pre-proline 0 C--N 1.317 -0.813 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.853 -179.271 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' H' H ' 28' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -81.27 41.24 1.11 Allowed 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.817 2.345 . . . . 0.0 111.232 179.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 29' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -129.07 89.29 2.84 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.918 -1.037 . . . . 0.0 109.499 -178.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 30' ' ' THR . . . . . . . . . . . . . 14.9 t . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.824 -0.607 . . . . 0.0 109.547 -179.224 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' I' I ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.409 0 N-CA-C 112.355 -0.298 . . . . 0.0 112.355 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' I' I ' 2' ' ' ILE . . . . . . . . . . . . . 8.6 tt -167.36 -36.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.083 0.468 . . . . 0.0 110.753 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 3' ' ' VAL . . . . . 0.61 HG12 ' HG3' ' J' ' 4' ' ' GLN . 96.5 t -67.43 -48.68 76.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.329 0.585 . . . . 0.0 110.26 179.265 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' I' I ' 4' ' ' GLU . . . . . 0.466 ' CD ' ' H ' ' I' ' 4' ' ' GLU . 0.4 OUTLIER -67.15 -20.5 65.76 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.499 -179.863 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' I' I ' 5' ' ' GLN . . . . . 0.499 ' HG2' ' SG ' ' I' ' 11' ' ' CYS . 36.9 tt0 -97.11 -39.73 9.17 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 113.018 0.747 . . . . 0.0 113.018 -177.536 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' I' I ' 6' ' ' CYS . . . . . . . . . . . . . 86.2 m -104.44 -35.59 7.85 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 -176.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 7' ' ' CYS . . . . . 0.462 ' HB2' HD12 ' J' ' 11' ' ' LEU . 52.7 t -73.58 -12.88 60.91 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.411 -0.516 . . . . 0.0 111.079 -179.086 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' I' I ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.24 -60.84 2.03 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.143 179.596 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' I' I ' 9' ' ' SER . . . . . 0.439 ' O ' ' HB ' ' I' ' 10' ' ' ILE . 73.4 m -151.29 32.14 0.59 Allowed 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 111.753 0.279 . . . . 0.0 111.753 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' I' I ' 10' ' ' ILE . . . . . 0.472 HG12 ' HB3' ' B' ' 5' ' ' HIS . 1.7 mp 72.44 147.56 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 CA-C-O 121.415 0.626 . . . . 0.0 112.626 178.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' I' I ' 11' ' ' CYS . . . . . 0.499 ' SG ' ' HG2' ' I' ' 5' ' ' GLN . 96.0 m -106.94 172.35 6.87 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 123.441 0.696 . . . . 0.0 110.267 179.577 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' I' I ' 12' ' ' SER . . . . . . . . . . . . . 44.2 m -82.07 168.19 18.04 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.795 0.331 . . . . 0.0 110.445 178.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 13' ' ' LEU . . . . . 0.508 ' HG ' HG12 ' J' ' 18' ' ' VAL . 10.1 tt -57.0 -54.11 50.42 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.808 -179.029 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -69.97 -16.1 63.14 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -179.018 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -71.75 -37.72 70.5 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 178.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 16' ' ' LEU . . . . . 0.427 ' HB3' HD22 ' J' ' 15' ' ' LEU . 88.2 mt -71.38 -30.35 66.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.126 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' I' I ' 17' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -63.66 -20.76 65.96 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.332 -179.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 18' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -71.94 -8.17 52.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.844 0.354 . . . . 0.0 111.357 179.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 19' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -106.65 4.28 27.72 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.952 0.406 . . . . 0.0 110.842 -179.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 20' ' ' CYS . . . . . . . . . . . . . 65.8 m -69.57 158.66 34.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.914 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 21' ' ' ASN . . . . . . . . . . . . . 2.8 m120 . . . . . 0 C--O 1.249 1.057 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.057 179.229 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' J' J ' 1' ' ' PHE . . . . . 0.641 ' O ' HG21 ' J' ' 2' ' ' VAL . 56.0 t80 . . . . . 0 N--CA 1.484 1.257 0 CA-C-O 120.371 0.129 . . . . 0.0 110.937 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 2' ' ' VAL . . . . . 0.641 HG21 ' O ' ' J' ' 1' ' ' PHE . 28.6 m 45.89 -146.55 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 C-N-CA 124.183 0.993 . . . . 0.0 112.58 -179.237 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' J' J ' 3' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -160.24 -173.16 3.89 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 -178.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 4' ' ' GLN . . . . . 0.78 ' HA ' ' HB3' ' J' ' 7' ' ' CYS . 0.0 OUTLIER -56.12 -25.5 46.19 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.843 0.354 . . . . 0.0 110.147 179.375 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' J' J ' 5' ' ' HIS . . . . . 0.522 ' NE2' ' HG ' ' L' ' 17' ' ' LEU . 34.7 t60 -58.08 -18.22 23.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.564 179.445 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' J' J ' 6' ' ' LEU . . . . . . . . . . . . . 36.5 mt -127.33 -8.79 5.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.241 0.543 . . . . 0.0 110.143 178.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 7' ' ' CYS . . . . . 0.78 ' HB3' ' HA ' ' J' ' 4' ' ' GLN . 6.6 t -88.96 -42.86 11.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.186 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' J' J ' 8' ' ' GLY . . . . . 0.647 ' HA2' HD13 ' J' ' 11' ' ' LEU . . . -63.26 -28.82 72.86 Favored Glycine 0 N--CA 1.452 -0.238 0 CA-C-N 116.001 -0.545 . . . . 0.0 113.155 -179.429 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' J' J ' 9' ' ' SER . . . . . 0.884 ' HB2' ' HG2' ' L' ' 13' ' ' GLU . 35.4 p -61.29 -24.89 66.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.855 0.359 . . . . 0.0 111.528 -179.372 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' J' J ' 10' ' ' HIS . . . . . 0.486 ' HA ' ' HG3' ' J' ' 13' ' ' GLU . 98.5 m-70 -98.97 -17.29 18.39 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.888 0.375 . . . . 0.0 111.1 -179.14 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' J' J ' 11' ' ' LEU . . . . . 0.647 HD13 ' HA2' ' J' ' 8' ' ' GLY . 49.5 mt -71.37 -40.46 70.61 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 177.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' J' J ' 12' ' ' VAL . . . . . 0.547 ' HA ' ' HB2' ' J' ' 15' ' ' LEU . 3.2 m -68.67 -27.22 35.28 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 CA-C-N 114.98 -1.009 . . . . 0.0 111.843 179.593 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' J' J ' 13' ' ' GLU . . . . . 0.889 ' HG2' ' HB2' ' L' ' 9' ' ' SER . 39.7 mt-10 -60.07 -46.11 90.66 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.342 0.592 . . . . 0.0 109.829 179.355 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' J' J ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.94 -26.47 48.94 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.357 179.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 15' ' ' LEU . . . . . 0.547 ' HB2' ' HA ' ' J' ' 12' ' ' VAL . 12.8 mt -55.77 -57.38 12.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.901 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' J' J ' 16' ' ' TYR . . . . . 1.059 ' HB3' ' HE2' ' J' ' 24' ' ' PHE . 18.4 p90 -74.07 -27.52 60.95 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 119.735 -0.786 . . . . 0.0 111.397 -179.139 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' J' J ' 17' ' ' LEU . . . . . 0.529 ' HG ' ' NE2' ' L' ' 5' ' ' HIS . 7.0 tt -66.86 -51.41 55.84 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.326 179.744 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' J' J ' 18' ' ' VAL . . . . . 0.508 HG12 ' HG ' ' I' ' 13' ' ' LEU . 74.6 t -70.52 -36.95 68.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 179.658 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' J' J ' 19' ' ' CYS . . . . . . . . . . . . . 37.5 t -65.54 -20.33 66.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.332 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.71 27.27 32.6 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.299 -0.953 . . . . 0.0 112.375 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 21' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 62.55 26.38 15.67 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 113.183 0.809 . . . . 0.0 113.183 179.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 22' ' ' ARG . . . . . . . . . . . . . 63.5 mtt180 -71.94 -40.59 68.63 Favored 'General case' 0 CA--C 1.519 -0.215 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 178.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 23' ' ' GLY . . . . . 0.43 ' HA3' HG23 ' L' ' 27' ' ' THR . . . 129.42 162.95 11.05 Favored Glycine 0 N--CA 1.443 -0.89 0 CA-C-N 114.167 -1.378 . . . . 0.0 110.18 -178.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' J' J ' 24' ' ' PHE . . . . . 1.059 ' HE2' ' HB3' ' J' ' 16' ' ' TYR . 36.4 p90 -165.3 173.6 11.04 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 117.261 0.53 . . . . 0.0 110.472 -179.615 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' J' J ' 25' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -126.09 139.81 53.09 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.251 178.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 26' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -131.31 103.71 6.61 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.042 0.449 . . . . 0.0 109.823 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 27' ' ' THR . . . . . 0.473 HG23 ' HA3' ' L' ' 23' ' ' GLY . 8.1 p -122.14 95.44 47.33 Favored Pre-proline 0 C--N 1.318 -0.79 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.063 -179.288 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' J' J ' 28' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_endo -80.6 40.2 0.95 Allowed 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.765 2.31 . . . . 0.0 111.235 179.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 29' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -128.6 89.33 2.88 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.771 -1.104 . . . . 0.0 109.501 -179.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 30' ' ' THR . . . . . . . . . . . . . 15.3 t . . . . . 0 C--O 1.248 0.99 0 CA-C-O 118.849 -0.596 . . . . 0.0 109.584 -179.361 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.166 0 N-CA-C 111.719 -0.552 . . . . 0.0 111.719 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' K' K ' 2' ' ' ILE . . . . . . . . . . . . . 9.4 tt -167.01 -37.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 120.783 0.325 . . . . 0.0 110.772 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' K' K ' 3' ' ' VAL . . . . . 0.589 HG12 ' HG3' ' L' ' 4' ' ' GLN . 93.8 t -66.31 -48.43 81.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 121.278 0.561 . . . . 0.0 110.455 179.472 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' K' K ' 4' ' ' GLU . . . . . 0.455 ' CD ' ' H ' ' K' ' 4' ' ' GLU . 0.4 OUTLIER -67.61 -20.17 65.32 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.294 -179.831 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' K' K ' 5' ' ' GLN . . . . . 0.488 ' HG2' ' SG ' ' K' ' 11' ' ' CYS . 36.0 tt0 -97.32 -39.73 9.08 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -177.378 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' K' K ' 6' ' ' CYS . . . . . . . . . . . . . 83.4 m -104.22 -35.98 7.82 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 114.256 1.206 . . . . 0.0 114.256 -176.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' K' K ' 7' ' ' CYS . . . . . 0.495 ' HB2' HD12 ' L' ' 11' ' ' LEU . 52.6 t -73.25 -12.91 61.03 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 121.839 -0.538 . . . . 0.0 111.148 -178.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' K' K ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.47 -60.79 2.06 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.157 179.385 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' K' K ' 9' ' ' SER . . . . . 0.438 ' O ' ' HB ' ' K' ' 10' ' ' ILE . 73.0 m -151.34 31.79 0.59 Allowed 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' K' K ' 10' ' ' ILE . . . . . 0.482 HD13 ' HB ' ' H' ' 2' ' ' VAL . 1.7 mp 72.5 144.62 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.625 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 178.556 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' K' K ' 11' ' ' CYS . . . . . 0.488 ' SG ' ' HG2' ' K' ' 5' ' ' GLN . 97.0 m -104.03 172.67 6.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.316 179.382 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' K' K ' 12' ' ' SER . . . . . . . . . . . . . 42.3 m -81.91 167.88 18.5 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.747 0.308 . . . . 0.0 110.382 179.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' K' K ' 13' ' ' LEU . . . . . 0.509 ' HG ' HG12 ' L' ' 18' ' ' VAL . 10.2 tt -57.36 -54.07 50.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.609 -179.076 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -69.57 -17.07 63.52 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -178.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -70.5 -39.72 73.98 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 178.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' K' K ' 16' ' ' LEU . . . . . 0.438 ' HB3' HD22 ' L' ' 15' ' ' LEU . 88.3 mt -69.17 -31.29 69.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.154 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' K' K ' 17' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -62.62 -20.66 64.98 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.521 -179.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' K' K ' 18' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -71.66 -10.45 59.79 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.899 0.38 . . . . 0.0 111.215 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' K' K ' 19' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -104.49 3.96 32.59 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.963 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' K' K ' 20' ' ' CYS . . . . . . . . . . . . . 68.1 m -68.88 159.63 32.21 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.16 0.505 . . . . 0.0 112.078 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' K' K ' 21' ' ' ASN . . . . . . . . . . . . . 2.8 m120 . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.475 -0.774 . . . . 0.0 109.975 178.948 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' L' L ' 1' ' ' PHE . . . . . 0.637 ' O ' HG21 ' L' ' 2' ' ' VAL . 55.0 t80 . . . . . 0 N--CA 1.484 1.236 0 N-CA-C 111.365 0.135 . . . . 0.0 111.365 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' L' L ' 2' ' ' VAL . . . . . 0.637 HG21 ' O ' ' L' ' 1' ' ' PHE . 28.5 m 46.14 -146.71 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 C-N-CA 124.281 1.032 . . . . 0.0 112.579 -179.281 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' L' L ' 3' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -160.05 -172.22 3.53 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 -178.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' L' L ' 4' ' ' GLN . . . . . 0.805 ' HA ' ' HB3' ' L' ' 7' ' ' CYS . 0.0 OUTLIER -56.92 -25.13 56.72 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.155 179.414 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' L' L ' 5' ' ' HIS . . . . . 0.529 ' NE2' ' HG ' ' J' ' 17' ' ' LEU . 34.9 t60 -58.7 -18.05 27.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.427 179.463 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' L' L ' 6' ' ' LEU . . . . . . . . . . . . . 35.8 mt -127.03 -9.11 5.96 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.28 0.562 . . . . 0.0 109.967 178.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' L' L ' 7' ' ' CYS . . . . . 0.805 ' HB3' ' HA ' ' L' ' 4' ' ' GLN . 5.6 t -88.46 -43.7 11.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.121 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' L' L ' 8' ' ' GLY . . . . . 0.616 ' HA2' HD13 ' L' ' 11' ' ' LEU . . . -62.38 -28.6 71.33 Favored Glycine 0 N--CA 1.452 -0.249 0 CA-C-N 116.1 -0.5 . . . . 0.0 113.321 -179.438 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' L' L ' 9' ' ' SER . . . . . 0.889 ' HB2' ' HG2' ' J' ' 13' ' ' GLU . 28.2 p -61.38 -24.83 66.76 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.926 0.393 . . . . 0.0 111.526 -179.263 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' L' L ' 10' ' ' HIS . . . . . 0.479 ' HA ' ' HG3' ' L' ' 13' ' ' GLU . 98.4 m-70 -99.36 -17.18 18.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.964 0.411 . . . . 0.0 110.968 -179.237 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' L' L ' 11' ' ' LEU . . . . . 0.616 HD13 ' HA2' ' L' ' 8' ' ' GLY . 55.9 mt -71.31 -40.39 70.82 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 177.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' L' L ' 12' ' ' VAL . . . . . 0.547 ' HA ' ' HB2' ' L' ' 15' ' ' LEU . 3.0 m -68.64 -27.5 36.44 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-N 114.989 -1.005 . . . . 0.0 112.003 179.529 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' L' L ' 13' ' ' GLU . . . . . 0.884 ' HG2' ' HB2' ' J' ' 9' ' ' SER . 40.6 mt-10 -59.72 -46.89 87.73 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 121.347 0.594 . . . . 0.0 109.717 179.49 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' L' L ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.12 -26.97 53.82 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.495 179.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' L' L ' 15' ' ' LEU . . . . . 0.547 ' HB2' ' HA ' ' L' ' 12' ' ' VAL . 12.5 mt -55.29 -57.5 11.55 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.915 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' L' L ' 16' ' ' TYR . . . . . 1.063 ' HB3' ' HE2' ' L' ' 24' ' ' PHE . 19.0 p90 -74.27 -27.55 60.8 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 119.787 -0.765 . . . . 0.0 111.235 -179.062 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' L' L ' 17' ' ' LEU . . . . . 0.522 ' HG ' ' NE2' ' J' ' 5' ' ' HIS . 7.1 tt -66.54 -51.98 50.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.144 179.697 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' L' L ' 18' ' ' VAL . . . . . 0.509 HG12 ' HG ' ' K' ' 13' ' ' LEU . 78.0 t -69.7 -38.36 76.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.172 179.746 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' L' L ' 19' ' ' CYS . . . . . . . . . . . . . 36.3 t -63.95 -23.33 67.3 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.497 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' L' L ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.98 26.38 26.64 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.127 -1.035 . . . . 0.0 111.97 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' L' L ' 21' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 63.25 25.74 14.87 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 179.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' L' L ' 22' ' ' ARG . . . . . . . . . . . . . 66.5 mtt180 -70.66 -41.27 72.31 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 177.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' L' L ' 23' ' ' GLY . . . . . 0.473 ' HA3' HG23 ' J' ' 27' ' ' THR . . . 129.47 162.87 11.01 Favored Glycine 0 N--CA 1.441 -1.027 0 CA-C-N 114.152 -1.385 . . . . 0.0 109.984 -178.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' L' L ' 24' ' ' PHE . . . . . 1.063 ' HE2' ' HB3' ' L' ' 16' ' ' TYR . 37.4 p90 -164.62 174.57 10.67 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 117.192 0.496 . . . . 0.0 110.498 -179.652 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' L' L ' 25' ' ' PHE . . . . . . . . . . . . . 5.1 p90 -126.95 139.38 53.09 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 178.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' L' L ' 26' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -131.37 103.19 6.3 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.156 0.503 . . . . 0.0 109.741 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' L' L ' 27' ' ' THR . . . . . 0.43 HG23 ' HA3' ' J' ' 23' ' ' GLY . 11.1 p -121.49 95.91 47.96 Favored Pre-proline 0 C--N 1.318 -0.785 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.946 -179.322 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' L' L ' 28' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -81.14 41.51 1.16 Allowed 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.779 2.319 . . . . 0.0 111.194 179.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' L' L ' 29' ' ' LYS . . . . . . . . . . . . . 87.6 tttt . . . . . 0 C--N 1.318 -0.767 0 CA-C-N 114.816 -1.084 . . . . 0.0 109.188 -179.121 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.933 0 N-CA-C 112.118 -0.393 . . . . 0.0 112.118 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 11.4 tt -56.29 -40.24 64.87 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -179.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 44.9 t -64.63 -47.6 88.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.061 0.458 . . . . 0.0 110.862 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -67.11 -11.37 57.01 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.538 -179.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.546 ' HG2' ' SG ' ' A' ' 11' ' ' CYS . 34.4 tt0 -107.92 -37.91 5.97 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -178.613 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 84.6 m -97.95 -32.2 11.79 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 -177.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.444 ' O ' HG11 ' F' ' 2' ' ' VAL . 41.5 t -78.06 -17.61 56.8 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.664 -0.415 . . . . 0.0 110.605 -179.679 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.91 -59.54 2.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.807 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.438 ' O ' ' HB ' ' A' ' 10' ' ' ILE . 45.4 m -149.01 30.39 0.79 Allowed 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.022 0.378 . . . . 0.0 112.022 -179.228 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.491 HG21 ' N ' ' A' ' 11' ' ' CYS . 1.8 mp 71.41 142.52 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 CA-C-O 121.545 0.688 . . . . 0.0 112.688 178.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.546 ' SG ' ' HG2' ' A' ' 5' ' ' GLN . 97.7 m -104.69 160.6 14.84 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.529 -0.759 . . . . 0.0 109.889 179.114 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.6 m -69.01 158.96 33.73 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.316 179.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.8 tt -58.95 -57.34 13.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.751 0.31 . . . . 0.0 110.765 -179.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 11.3 p90 -63.32 -20.37 65.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.907 0.384 . . . . 0.0 111.2 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -70.95 -37.2 72.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.054 0.454 . . . . 0.0 109.993 179.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.476 ' HB3' HD22 ' B' ' 15' ' ' LEU . 92.1 mt -69.76 -28.67 65.97 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.22 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 77.3 tt0 -66.22 -17.68 64.88 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.991 -179.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -74.22 -6.24 46.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.112 0.482 . . . . 0.0 110.611 179.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -109.47 -102.41 0.38 Allowed 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 178.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.447 ' HB3' ' H ' ' A' ' 21' ' ' ASN . 35.5 m 51.63 -126.78 2.4 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 112.516 0.562 . . . . 0.0 112.516 178.44 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.447 ' H ' ' HB3' ' A' ' 20' ' ' CYS . 0.7 OUTLIER . . . . . 0 C--O 1.247 0.954 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 -179.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . 0.482 ' O ' HG21 ' B' ' 2' ' ' VAL . 51.4 t80 . . . . . 0 N--CA 1.482 1.156 0 CA-C-O 120.236 0.065 . . . . 0.0 111.068 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . 0.482 HG21 ' O ' ' B' ' 1' ' ' PHE . 20.5 m 40.39 -125.84 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 123.929 0.891 . . . . 0.0 112.793 -179.512 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -164.79 164.08 21.17 Favored 'General case' 0 C--O 1.237 0.409 0 O-C-N 122.372 -0.205 . . . . 0.0 110.467 -178.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -51.36 -29.52 15.7 Favored 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 123.262 0.625 . . . . 0.0 110.848 179.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . 0.467 ' CD2' HG22 ' I' ' 10' ' ' ILE . 71.1 t60 -53.77 -20.82 6.16 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.303 179.492 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 21.7 mt -114.45 -39.73 3.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.814 0.34 . . . . 0.0 110.719 179.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 46.8 t -66.76 -44.31 81.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.477 -179.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.33 -35.66 91.96 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.848 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' SER . . . . . 0.48 ' O ' HG23 ' B' ' 12' ' ' VAL . 1.7 m -61.14 -33.29 73.16 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -179.437 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -88.82 -6.99 56.98 Favored 'General case' 0 CA--C 1.509 -0.596 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 -178.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.723 HD13 ' HH ' ' B' ' 26' ' ' TYR . 45.7 mt -73.02 -17.96 61.39 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 177.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.783 ' HB ' ' CZ ' ' B' ' 24' ' ' PHE . 5.0 m -71.26 -34.97 56.12 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.475 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.661 179.31 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.683 ' N ' HG21 ' B' ' 12' ' ' VAL . 28.2 mm-40 -56.1 -42.33 76.64 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-O 121.843 0.83 . . . . 0.0 108.844 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.15 -50.25 42.36 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 114.483 -1.235 . . . . 0.0 110.823 178.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.476 HD22 ' HB3' ' A' ' 16' ' ' LEU . 91.4 mt -58.18 -56.49 21.36 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.239 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . 0.436 ' HB2' ' O ' ' B' ' 12' ' ' VAL . 1.0 OUTLIER -47.16 -44.41 21.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.479 -179.527 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.464 HD12 ' HE2' ' D' ' 5' ' ' HIS . 2.5 mm? -62.81 -45.83 90.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.139 179.733 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 57.8 t -70.75 -37.7 69.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.124 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . 0.436 ' HB3' ' HB2' ' B' ' 22' ' ' ARG . 77.6 m -65.19 -28.01 69.09 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.212 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.74 -110.45 3.03 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.707 -0.758 . . . . 0.0 111.881 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -94.11 -3.61 50.77 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.79 0.328 . . . . 0.0 110.998 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . 0.436 ' HB2' ' HB3' ' B' ' 19' ' ' CYS . 78.4 mtt180 -82.27 167.55 18.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.052 0.453 . . . . 0.0 110.105 178.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . 0.43 ' HA3' ' HD2' ' D' ' 28' ' ' PRO . . . -103.91 -152.73 22.91 Favored Glycine 0 N--CA 1.44 -1.049 0 N-CA-C 109.66 -1.376 . . . . 0.0 109.66 177.104 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . 0.783 ' CZ ' ' HB ' ' B' ' 12' ' ' VAL . 3.0 p90 -166.52 141.19 4.27 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.688 0.756 . . . . 0.0 111.589 178.752 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . 0.623 ' HA ' ' HA ' ' D' ' 25' ' ' PHE . 3.0 p90 -99.24 90.85 4.71 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 178.066 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.723 ' HH ' HD13 ' B' ' 11' ' ' LEU . 8.1 t80 -83.01 91.74 7.23 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.533 -178.089 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 16.0 p -110.04 94.66 18.41 Favored Pre-proline 0 C--N 1.319 -0.745 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.432 179.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . 0.424 ' HD2' ' HA3' ' D' ' 23' ' ' GLY . 74.6 Cg_endo -78.27 52.57 4.15 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.775 2.317 . . . . 0.0 112.218 -179.272 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 44.4 tttm -153.55 142.6 21.28 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.481 -0.782 . . . . 0.0 109.431 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 7.4 m . . . . . 0 C--O 1.255 1.367 0 CA-C-O 117.882 -1.056 . . . . 0.0 108.545 178.795 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.192 0 N-CA-C 111.737 -0.545 . . . . 0.0 111.737 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 2' ' ' ILE . . . . . 0.409 HD11 HG22 ' C' ' 2' ' ' ILE . 10.8 tt -59.43 -38.78 76.88 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 C-N-CA 122.749 0.42 . . . . 0.0 111.999 179.686 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 47.5 t -66.12 -46.7 87.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.221 0.534 . . . . 0.0 110.807 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -67.41 -10.95 56.2 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.663 -0.699 . . . . 0.0 112.153 -179.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 5' ' ' GLN . . . . . 0.542 ' HG2' ' SG ' ' C' ' 11' ' ' CYS . 34.3 tt0 -108.69 -37.27 5.95 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -178.457 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 86.2 m -98.79 -32.07 11.55 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 113.53 0.937 . . . . 0.0 113.53 -177.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 7' ' ' CYS . . . . . 0.435 ' HB2' HD12 ' D' ' 11' ' ' LEU . 41.7 t -78.19 -17.1 57.22 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 122.059 -0.4 . . . . 0.0 110.725 -179.627 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.4 -59.87 2.6 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.558 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 46.6 m -149.39 31.79 0.74 Allowed 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.068 0.395 . . . . 0.0 112.068 -179.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . 0.468 HG21 ' N ' ' C' ' 11' ' ' CYS . 1.8 mp 70.22 142.28 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 178.726 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 11' ' ' CYS . . . . . 0.542 ' SG ' ' HG2' ' C' ' 5' ' ' GLN . 95.7 m -104.12 160.73 14.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.276 178.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 4.9 m -68.47 159.13 32.29 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.463 179.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 13' ' ' LEU . . . . . 0.409 ' C ' HD21 ' C' ' 13' ' ' LEU . 6.9 tt -59.86 -56.02 26.9 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.645 0.26 . . . . 0.0 110.842 -179.309 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 11.3 p90 -64.76 -19.74 65.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.804 0.335 . . . . 0.0 111.303 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -71.21 -37.23 72.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.053 -0.522 . . . . 0.0 109.804 179.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 16' ' ' LEU . . . . . 0.494 ' HB3' HD22 ' D' ' 15' ' ' LEU . 90.3 mt -69.54 -29.0 66.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.282 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 79.0 tt0 -65.25 -20.3 66.36 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.08 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -71.89 -6.42 41.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.042 0.449 . . . . 0.0 110.82 179.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -109.38 -103.36 0.37 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 178.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 40.1 m 52.35 -126.44 2.42 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 178.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.247 0.953 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 1' ' ' PHE . . . . . 0.477 ' O ' HG21 ' D' ' 2' ' ' VAL . 48.9 t80 . . . . . 0 N--CA 1.477 0.92 0 CA-C-O 120.241 0.067 . . . . 0.0 110.925 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 2' ' ' VAL . . . . . 0.477 HG21 ' O ' ' D' ' 1' ' ' PHE . 21.6 m 40.83 -125.41 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 123.975 0.91 . . . . 0.0 112.73 -179.297 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 3' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -164.99 164.34 20.6 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 120.45 0.167 . . . . 0.0 110.573 -178.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -51.21 -29.89 15.52 Favored 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 123.246 0.618 . . . . 0.0 110.8 178.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 5' ' ' HIS . . . . . 0.464 ' HE2' HD12 ' B' ' 17' ' ' LEU . 70.4 t60 -53.66 -20.73 5.7 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.444 179.665 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 23.0 mt -114.68 -39.93 3.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.765 178.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 7' ' ' CYS . . . . . . . . . . . . . 43.2 t -66.7 -43.82 83.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.408 -179.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.83 -35.76 92.43 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 121.073 -0.584 . . . . 0.0 112.941 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 9' ' ' SER . . . . . 0.486 ' O ' HG23 ' D' ' 12' ' ' VAL . 1.7 m -60.78 -33.69 73.36 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.782 0.325 . . . . 0.0 111.833 -179.594 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 10' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -88.33 -7.28 56.95 Favored 'General case' 0 CA--C 1.511 -0.526 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 -178.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 11' ' ' LEU . . . . . 0.754 HD13 ' HH ' ' D' ' 26' ' ' TYR . 48.5 mt -73.16 -18.03 61.31 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 178.009 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 12' ' ' VAL . . . . . 0.79 ' HB ' ' CZ ' ' D' ' 24' ' ' PHE . 4.8 m -71.06 -34.81 56.53 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.402 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.539 179.216 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 13' ' ' GLU . . . . . 0.678 ' N ' HG21 ' D' ' 12' ' ' VAL . 29.5 mm-40 -56.2 -42.59 77.41 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-O 121.879 0.847 . . . . 0.0 108.852 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.66 -50.75 40.99 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.356 -1.293 . . . . 0.0 110.748 178.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 15' ' ' LEU . . . . . 0.494 HD22 ' HB3' ' C' ' 16' ' ' LEU . 91.7 mt -57.45 -57.04 14.41 Favored 'General case' 0 C--O 1.225 -0.21 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.352 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 16' ' ' TYR . . . . . 0.438 ' HB2' ' O ' ' D' ' 12' ' ' VAL . 1.0 OUTLIER -46.78 -44.4 19.08 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 123.807 0.843 . . . . 0.0 111.656 -179.507 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . 0.462 HD11 ' HE2' ' B' ' 5' ' ' HIS . 2.5 mm? -62.59 -46.25 89.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.231 179.66 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 58.8 t -70.26 -39.7 77.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 19' ' ' CYS . . . . . 0.434 ' HB3' ' HB2' ' D' ' 22' ' ' ARG . 70.1 m -63.04 -27.82 69.67 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.223 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.93 -110.38 3.03 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.72 -0.752 . . . . 0.0 111.86 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -93.38 -5.01 50.43 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.586 0.231 . . . . 0.0 111.117 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 22' ' ' ARG . . . . . 0.434 ' HB2' ' HB3' ' D' ' 19' ' ' CYS . 78.9 mtt180 -81.15 167.01 20.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.029 0.442 . . . . 0.0 110.351 179.021 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 23' ' ' GLY . . . . . 0.424 ' HA3' ' HD2' ' B' ' 28' ' ' PRO . . . -103.04 -152.54 23.76 Favored Glycine 0 N--CA 1.44 -1.08 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 176.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 24' ' ' PHE . . . . . 0.79 ' CZ ' ' HB ' ' D' ' 12' ' ' VAL . 2.8 p90 -166.5 141.26 4.31 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.602 0.715 . . . . 0.0 111.656 178.658 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 25' ' ' PHE . . . . . 0.623 ' HA ' ' HA ' ' B' ' 25' ' ' PHE . 3.0 p90 -99.13 90.55 4.63 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 107.818 -1.178 . . . . 0.0 107.818 177.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 26' ' ' TYR . . . . . 0.754 ' HH ' HD13 ' D' ' 11' ' ' LEU . 8.0 t80 -82.51 92.32 7.06 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.608 -178.097 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 27' ' ' THR . . . . . . . . . . . . . 17.3 p -110.71 94.47 19.84 Favored Pre-proline 0 C--N 1.319 -0.749 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.796 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 28' ' ' PRO . . . . . 0.43 ' HD2' ' HA3' ' B' ' 23' ' ' GLY . 82.7 Cg_endo -78.16 53.71 4.61 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.843 2.362 . . . . 0.0 112.154 -179.305 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 43.7 tttm -155.35 141.04 18.01 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.573 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 8.1 m . . . . . 0 C--O 1.254 1.307 0 CA-C-O 118.227 -0.892 . . . . 0.0 109.258 179.12 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.594 0 N-CA-C 111.642 -0.583 . . . . 0.0 111.642 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' E' E ' 2' ' ' ILE . . . . . . . . . . . . . 10.9 tt -59.17 -38.18 72.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -178.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 48.1 t -66.41 -46.9 85.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.067 0.46 . . . . 0.0 110.821 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 4' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -66.17 -13.66 60.57 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.652 -0.703 . . . . 0.0 112.116 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 5' ' ' GLN . . . . . 0.547 ' HG2' ' SG ' ' E' ' 11' ' ' CYS . 35.5 tt0 -106.84 -36.98 6.51 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -178.164 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' E' E ' 6' ' ' CYS . . . . . . . . . . . . . 84.8 m -98.88 -31.48 11.82 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 113.47 0.915 . . . . 0.0 113.47 -177.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 7' ' ' CYS . . . . . 0.438 ' HB2' HD12 ' F' ' 11' ' ' LEU . 42.0 t -79.23 -16.13 56.98 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.114 0.483 . . . . 0.0 110.523 -179.598 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.31 -59.17 2.91 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.582 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' E' E ' 9' ' ' SER . . . . . 0.41 ' O ' ' HB ' ' E' ' 10' ' ' ILE . 58.1 m -149.43 30.87 0.75 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -179.51 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' E' E ' 10' ' ' ILE . . . . . 0.479 HG21 ' N ' ' E' ' 11' ' ' CYS . 1.7 mp 70.82 141.7 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 CA-C-O 121.478 0.656 . . . . 0.0 112.725 178.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' E' E ' 11' ' ' CYS . . . . . 0.547 ' SG ' ' HG2' ' E' ' 5' ' ' GLN . 98.0 m -103.49 161.61 13.73 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.225 178.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' E' E ' 12' ' ' SER . . . . . . . . . . . . . 8.0 m -69.3 159.82 32.39 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.225 179.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 13' ' ' LEU . . . . . 0.423 ' C ' HD21 ' E' ' 13' ' ' LEU . 7.0 tt -60.72 -55.82 28.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.611 0.243 . . . . 0.0 110.768 -179.2 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 12.6 p90 -65.02 -19.55 66.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.858 0.361 . . . . 0.0 111.04 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -71.0 -38.4 72.68 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.905 179.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 16' ' ' LEU . . . . . 0.484 ' HB3' HD22 ' F' ' 15' ' ' LEU . 92.6 mt -68.51 -28.54 67.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.249 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' E' E ' 17' ' ' GLU . . . . . . . . . . . . . 75.1 tt0 -65.99 -18.26 65.22 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.049 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 18' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -74.25 -4.19 34.57 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.229 0.538 . . . . 0.0 110.627 179.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 19' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -111.43 -103.57 0.39 Allowed 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 178.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 20' ' ' CYS . . . . . . . . . . . . . 37.1 m 52.4 -126.29 2.41 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 178.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.247 0.948 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 -179.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 1' ' ' PHE . . . . . 0.463 ' O ' HG21 ' F' ' 2' ' ' VAL . 50.0 t80 . . . . . 0 N--CA 1.482 1.149 0 CA-C-O 120.547 0.213 . . . . 0.0 110.591 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 2' ' ' VAL . . . . . 0.463 HG21 ' O ' ' F' ' 1' ' ' PHE . 21.7 m 39.8 -125.63 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 C-N-CA 123.919 0.888 . . . . 0.0 112.9 -179.496 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' F' F ' 3' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -164.52 164.13 21.85 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 120.5 0.19 . . . . 0.0 110.636 -178.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 4' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -51.42 -29.12 14.88 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 123.286 0.634 . . . . 0.0 110.883 178.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 5' ' ' HIS . . . . . 0.483 ' HE2' HD12 ' H' ' 17' ' ' LEU . 72.6 t60 -54.88 -19.96 7.75 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.3 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' F' F ' 6' ' ' LEU . . . . . . . . . . . . . 22.4 mt -114.79 -39.9 3.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.877 0.37 . . . . 0.0 110.799 178.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 7' ' ' CYS . . . . . . . . . . . . . 42.4 t -67.16 -43.51 82.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.369 -179.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.74 -35.85 92.5 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.921 -0.657 . . . . 0.0 113.036 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 9' ' ' SER . . . . . 0.493 ' O ' HG23 ' F' ' 12' ' ' VAL . 1.5 m -60.79 -33.63 73.27 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.898 0.38 . . . . 0.0 111.734 -179.548 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' F' F ' 10' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -88.28 -7.12 57.26 Favored 'General case' 0 CA--C 1.512 -0.517 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 -178.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 11' ' ' LEU . . . . . 0.728 HD13 ' HH ' ' F' ' 26' ' ' TYR . 45.0 mt -73.59 -17.57 61.16 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 177.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' F' F ' 12' ' ' VAL . . . . . 0.781 ' HB ' ' CZ ' ' F' ' 24' ' ' PHE . 5.0 m -71.48 -34.89 54.71 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.438 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.631 179.222 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' F' F ' 13' ' ' GLU . . . . . 0.688 ' N ' HG21 ' F' ' 12' ' ' VAL . 28.6 mm-40 -56.05 -42.59 76.83 Favored 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 179.667 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' F' F ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.78 -50.4 43.55 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.505 -1.225 . . . . 0.0 110.864 178.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 15' ' ' LEU . . . . . 0.484 HD22 ' HB3' ' E' ' 16' ' ' LEU . 90.9 mt -57.98 -57.05 14.53 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.194 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' F' F ' 16' ' ' TYR . . . . . 0.432 ' HB2' ' O ' ' F' ' 12' ' ' VAL . 1.0 OUTLIER -46.59 -44.52 18.18 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 123.789 0.835 . . . . 0.0 111.633 -179.562 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' F' F ' 17' ' ' LEU . . . . . 0.422 HD12 ' HE2' ' H' ' 5' ' ' HIS . 2.5 mm? -62.78 -45.86 90.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.255 179.646 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 62.4 t -70.71 -38.13 71.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.019 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 19' ' ' CYS . . . . . 0.427 ' HB3' ' HB2' ' F' ' 22' ' ' ARG . 79.6 m -64.8 -27.81 69.14 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.149 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' F' F ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.94 -110.17 2.96 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.002 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 21' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -94.82 -2.73 50.26 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.788 0.328 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 22' ' ' ARG . . . . . 0.427 ' HB2' ' HB3' ' F' ' 19' ' ' CYS . 76.9 mtt180 -83.08 167.58 17.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.228 -0.442 . . . . 0.0 109.931 179.027 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' F' F ' 23' ' ' GLY . . . . . 0.417 ' HA3' ' HD2' ' H' ' 28' ' ' PRO . . . -104.13 -152.94 22.79 Favored Glycine 0 N--CA 1.442 -0.902 0 N-CA-C 109.602 -1.399 . . . . 0.0 109.602 177.062 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' F' F ' 24' ' ' PHE . . . . . 0.781 ' CZ ' ' HB ' ' F' ' 12' ' ' VAL . 2.8 p90 -166.07 141.13 4.65 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.625 0.726 . . . . 0.0 111.713 178.761 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' F' F ' 25' ' ' PHE . . . . . 0.622 ' HA ' ' HA ' ' H' ' 25' ' ' PHE . 2.8 p90 -99.2 90.41 4.57 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 107.702 -1.221 . . . . 0.0 107.702 177.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' F' F ' 26' ' ' TYR . . . . . 0.728 ' HH ' HD13 ' F' ' 11' ' ' LEU . 7.9 t80 -82.51 92.75 7.13 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.454 -178.217 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' F' F ' 27' ' ' THR . . . . . . . . . . . . . 18.0 p -111.41 94.46 22.57 Favored Pre-proline 0 C--N 1.319 -0.733 0 CA-C-N 115.177 -0.92 . . . . 0.0 109.56 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 28' ' ' PRO . . . . . 0.437 ' HD2' ' HA3' ' H' ' 23' ' ' GLY . 75.5 Cg_endo -77.83 50.8 3.38 Favored 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 122.928 2.418 . . . . 0.0 112.398 -179.018 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' F' F ' 29' ' ' LYS . . . . . . . . . . . . . 42.8 tttm -153.25 139.0 17.93 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.066 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 30' ' ' THR . . . . . . . . . . . . . 10.2 m . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.199 -0.905 . . . . 0.0 109.432 179.234 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' G' G ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.733 0 N-CA-C 111.737 -0.545 . . . . 0.0 111.737 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' G' G ' 2' ' ' ILE . . . . . . . . . . . . . 10.8 tt -61.36 -37.86 78.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 111.865 0.321 . . . . 0.0 111.865 -178.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 47.1 t -66.67 -47.52 82.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.983 0.421 . . . . 0.0 110.535 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 4' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -65.68 -13.43 59.21 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.707 -0.678 . . . . 0.0 112.043 -179.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 5' ' ' GLN . . . . . 0.555 ' HG2' ' SG ' ' G' ' 11' ' ' CYS . 35.3 tt0 -106.51 -37.65 6.41 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -178.275 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' G' G ' 6' ' ' CYS . . . . . . . . . . . . . 86.1 m -98.64 -31.4 11.95 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 113.512 0.931 . . . . 0.0 113.512 -177.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 7' ' ' CYS . . . . . 0.445 ' HB2' HD12 ' H' ' 11' ' ' LEU . 41.5 t -78.82 -16.47 57.07 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.512 -179.769 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' G' G ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.55 -60.23 2.38 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.631 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' G' G ' 9' ' ' SER . . . . . 0.431 ' O ' ' HB ' ' G' ' 10' ' ' ILE . 66.9 m -148.55 30.43 0.83 Allowed 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -179.51 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' G' G ' 10' ' ' ILE . . . . . 0.457 HG21 ' N ' ' G' ' 11' ' ' CYS . 1.7 mp 71.51 141.9 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 CA-C-O 121.644 0.735 . . . . 0.0 112.908 178.706 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' G' G ' 11' ' ' CYS . . . . . 0.555 ' SG ' ' HG2' ' G' ' 5' ' ' GLN . 98.8 m -103.69 161.97 13.47 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.137 179.151 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' G' G ' 12' ' ' SER . . . . . . . . . . . . . 8.4 m -69.3 160.5 31.12 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.071 179.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 13' ' ' LEU . . . . . 0.405 ' C ' HD21 ' G' ' 13' ' ' LEU . 7.0 tt -61.12 -56.26 22.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.729 0.3 . . . . 0.0 110.571 -179.716 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 11.0 p90 -64.42 -19.48 65.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.89 0.376 . . . . 0.0 111.181 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -71.72 -36.64 70.57 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.106 0.479 . . . . 0.0 110.026 179.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 16' ' ' LEU . . . . . 0.476 ' HB3' HD22 ' H' ' 15' ' ' LEU . 91.3 mt -70.08 -28.38 65.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.075 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' G' G ' 17' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -66.12 -18.43 65.34 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 120.994 0.426 . . . . 0.0 111.136 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 18' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -73.58 -5.05 37.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.123 0.487 . . . . 0.0 110.672 179.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 19' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -110.62 -103.53 0.39 Allowed 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 178.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 20' ' ' CYS . . . . . . . . . . . . . 36.3 m 52.33 -126.67 2.43 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 178.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 21' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.242 0.685 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 -179.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 1' ' ' PHE . . . . . 0.46 ' O ' HG21 ' H' ' 2' ' ' VAL . 50.3 t80 . . . . . 0 N--CA 1.481 1.12 0 CA-C-O 120.179 0.037 . . . . 0.0 110.998 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 2' ' ' VAL . . . . . 0.46 HG21 ' O ' ' H' ' 1' ' ' PHE . 21.8 m 40.43 -125.62 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 123.978 0.911 . . . . 0.0 112.904 -179.496 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' H' H ' 3' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -164.77 164.21 21.18 Favored 'General case' 0 C--O 1.236 0.35 0 O-C-N 122.414 -0.178 . . . . 0.0 110.651 -178.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 4' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -51.29 -29.69 15.64 Favored 'General case' 0 N--CA 1.462 0.139 0 C-N-CA 123.283 0.633 . . . . 0.0 110.89 178.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 5' ' ' HIS . . . . . 0.422 ' HE2' HD12 ' F' ' 17' ' ' LEU . 71.1 t60 -54.05 -20.31 6.23 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.575 179.663 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' H' H ' 6' ' ' LEU . . . . . . . . . . . . . 22.7 mt -114.63 -40.4 3.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.556 178.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 7' ' ' CYS . . . . . . . . . . . . . 46.6 t -66.15 -44.35 84.39 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.741 0.305 . . . . 0.0 111.417 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.27 -35.84 92.18 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 121.048 -0.596 . . . . 0.0 113.046 -179.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 9' ' ' SER . . . . . 0.47 ' O ' HG23 ' H' ' 12' ' ' VAL . 1.6 m -60.97 -33.48 73.28 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.797 0.332 . . . . 0.0 111.774 -179.619 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' H' H ' 10' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -88.76 -7.02 57.0 Favored 'General case' 0 CA--C 1.511 -0.549 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -178.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 11' ' ' LEU . . . . . 0.758 HD13 ' HH ' ' H' ' 26' ' ' TYR . 46.5 mt -73.06 -17.97 61.37 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 177.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' H' H ' 12' ' ' VAL . . . . . 0.778 ' HB ' ' CZ ' ' H' ' 24' ' ' PHE . 5.0 m -71.25 -34.82 55.64 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.398 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.7 179.299 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' H' H ' 13' ' ' GLU . . . . . 0.678 ' N ' HG21 ' H' ' 12' ' ' VAL . 30.6 mm-40 -56.2 -42.3 76.95 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-O 121.943 0.878 . . . . 0.0 108.868 179.661 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' H' H ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.13 -50.59 39.06 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 114.408 -1.269 . . . . 0.0 110.896 178.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 15' ' ' LEU . . . . . 0.476 HD22 ' HB3' ' G' ' 16' ' ' LEU . 89.4 mt -57.47 -56.81 17.02 Favored 'General case' 0 C--O 1.225 -0.186 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.24 179.766 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' H' H ' 16' ' ' TYR . . . . . 0.447 ' HB2' ' O ' ' H' ' 12' ' ' VAL . 1.0 OUTLIER -47.24 -43.77 22.17 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 123.768 0.827 . . . . 0.0 111.745 -179.372 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' H' H ' 17' ' ' LEU . . . . . 0.483 HD12 ' HE2' ' F' ' 5' ' ' HIS . 2.5 mm? -63.4 -45.65 90.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.228 179.669 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 58.2 t -70.57 -38.68 74.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.136 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 19' ' ' CYS . . . . . 0.435 ' HB3' ' HB2' ' H' ' 22' ' ' ARG . 69.0 m -64.7 -26.01 68.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.241 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' H' H ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.0 -108.45 2.53 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.521 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 21' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -95.78 -4.57 43.68 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.728 0.299 . . . . 0.0 110.869 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 22' ' ' ARG . . . . . 0.435 ' HB2' ' HB3' ' H' ' 19' ' ' CYS . 78.5 mtt180 -81.5 167.57 19.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.163 179.16 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' H' H ' 23' ' ' GLY . . . . . 0.437 ' HA3' ' HD2' ' F' ' 28' ' ' PRO . . . -104.44 -153.28 22.59 Favored Glycine 0 N--CA 1.442 -0.963 0 N-CA-C 109.649 -1.381 . . . . 0.0 109.649 177.315 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' H' H ' 24' ' ' PHE . . . . . 0.778 ' CZ ' ' HB ' ' H' ' 12' ' ' VAL . 2.9 p90 -165.78 141.34 4.98 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 121.692 0.758 . . . . 0.0 111.624 178.751 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' H' H ' 25' ' ' PHE . . . . . 0.622 ' HA ' ' HA ' ' F' ' 25' ' ' PHE . 2.3 p90 -99.36 90.46 4.55 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 178.063 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' H' H ' 26' ' ' TYR . . . . . 0.758 ' HH ' HD13 ' H' ' 11' ' ' LEU . 8.1 t80 -82.38 92.54 7.02 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.517 -178.05 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' H' H ' 27' ' ' THR . . . . . . . . . . . . . 19.0 p -110.9 95.1 22.48 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.615 179.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 28' ' ' PRO . . . . . 0.417 ' HD2' ' HA3' ' F' ' 23' ' ' GLY . 76.6 Cg_endo -78.41 52.18 4.03 Favored 'Trans proline' 0 N--CA 1.464 -0.216 0 C-N-CA 122.795 2.33 . . . . 0.0 112.285 -179.351 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' H' H ' 29' ' ' LYS . . . . . . . . . . . . . 44.5 tttm -153.47 143.52 22.15 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.282 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 30' ' ' THR . . . . . . . . . . . . . 6.4 m . . . . . 0 C--O 1.253 1.247 0 CA-C-O 118.114 -0.946 . . . . 0.0 108.891 178.93 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' I' I ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.998 0 N-CA-C 111.803 -0.519 . . . . 0.0 111.803 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' I' I ' 2' ' ' ILE . . . . . . . . . . . . . 10.9 tt -61.49 -38.24 79.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.886 0.374 . . . . 0.0 111.935 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 3' ' ' VAL . . . . . . . . . . . . . 46.3 t -66.42 -48.1 81.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.05 0.452 . . . . 0.0 110.468 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 4' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -65.62 -12.76 56.13 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.916 -0.583 . . . . 0.0 112.237 -179.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 5' ' ' GLN . . . . . 0.543 ' HG2' ' SG ' ' I' ' 11' ' ' CYS . 35.0 tt0 -107.03 -37.35 6.34 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -178.273 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' I' I ' 6' ' ' CYS . . . . . . . . . . . . . 81.5 m -98.36 -32.63 11.42 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 -177.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 7' ' ' CYS . . . . . 0.433 ' O ' HG11 ' B' ' 2' ' ' VAL . 43.2 t -77.9 -17.32 57.43 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.944 0.402 . . . . 0.0 110.618 -179.624 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' I' I ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.48 -58.67 3.46 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.782 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' I' I ' 9' ' ' SER . . . . . 0.42 ' O ' ' HB ' ' I' ' 10' ' ' ILE . 49.5 m -149.98 30.55 0.71 Allowed 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -179.378 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' I' I ' 10' ' ' ILE . . . . . 0.474 HG21 ' N ' ' I' ' 11' ' ' CYS . 1.7 mp 70.75 141.16 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 CA-C-O 121.631 0.729 . . . . 0.0 112.888 178.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' I' I ' 11' ' ' CYS . . . . . 0.543 ' SG ' ' HG2' ' I' ' 5' ' ' GLN . 98.2 m -102.89 161.2 13.94 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.466 179.064 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' I' I ' 12' ' ' SER . . . . . . . . . . . . . 6.5 m -68.55 159.46 31.83 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.252 178.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 13' ' ' LEU . . . . . 0.42 ' C ' HD21 ' I' ' 13' ' ' LEU . 7.1 tt -60.45 -55.97 27.08 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.841 0.353 . . . . 0.0 110.699 -179.656 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 12.2 p90 -64.89 -19.95 66.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.912 0.387 . . . . 0.0 110.935 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -70.87 -37.38 73.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.998 179.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 16' ' ' LEU . . . . . 0.484 ' HB3' HD22 ' J' ' 15' ' ' LEU . 91.9 mt -69.78 -28.01 65.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.183 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' I' I ' 17' ' ' GLU . . . . . . . . . . . . . 75.0 tt0 -66.59 -17.58 64.9 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.027 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 18' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -74.5 -5.01 40.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.129 0.49 . . . . 0.0 110.501 179.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 19' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -111.03 -103.62 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 178.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 20' ' ' CYS . . . . . . . . . . . . . 40.1 m 52.75 -126.35 2.43 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 178.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.246 0.917 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 -179.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 1' ' ' PHE . . . . . 0.466 ' O ' HG21 ' J' ' 2' ' ' VAL . 50.0 t80 . . . . . 0 N--CA 1.48 1.044 0 CA-C-O 120.27 0.081 . . . . 0.0 111.071 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 2' ' ' VAL . . . . . 0.466 HG21 ' O ' ' J' ' 1' ' ' PHE . 19.7 m 40.21 -125.72 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 123.969 0.908 . . . . 0.0 112.552 -179.399 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' J' J ' 3' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -164.53 164.1 21.83 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 110.53 -0.174 . . . . 0.0 110.53 -178.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 4' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -50.47 -30.35 12.49 Favored 'General case' 0 N--CA 1.463 0.201 0 C-N-CA 123.464 0.706 . . . . 0.0 110.824 178.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 5' ' ' HIS . . . . . 0.488 ' HE2' HD12 ' L' ' 17' ' ' LEU . 71.2 t60 -53.75 -20.55 5.73 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.424 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' J' J ' 6' ' ' LEU . . . . . . . . . . . . . 22.9 mt -114.44 -40.52 3.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.684 178.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 7' ' ' CYS . . . . . . . . . . . . . 42.5 t -66.15 -43.77 86.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.614 -0.267 . . . . 0.0 111.571 -179.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.92 -35.53 92.16 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.978 -0.63 . . . . 0.0 112.946 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 9' ' ' SER . . . . . 0.488 ' O ' HG23 ' J' ' 12' ' ' VAL . 1.7 m -61.03 -33.93 74.05 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.768 0.318 . . . . 0.0 111.676 -179.462 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' J' J ' 10' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -88.14 -7.06 57.48 Favored 'General case' 0 CA--C 1.511 -0.556 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -178.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 11' ' ' LEU . . . . . 0.776 HD13 ' HH ' ' J' ' 26' ' ' TYR . 46.2 mt -72.93 -18.16 61.42 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 177.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' J' J ' 12' ' ' VAL . . . . . 0.771 ' HB ' ' CZ ' ' J' ' 24' ' ' PHE . 4.9 m -70.99 -35.34 58.94 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.492 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.794 179.145 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' J' J ' 13' ' ' GLU . . . . . 0.68 ' N ' HG21 ' J' ' 12' ' ' VAL . 29.8 mm-40 -55.68 -42.47 75.18 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' J' J ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.96 -50.73 38.91 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.403 -1.271 . . . . 0.0 110.958 178.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 15' ' ' LEU . . . . . 0.484 HD22 ' HB3' ' I' ' 16' ' ' LEU . 91.1 mt -57.55 -56.54 20.6 Favored 'General case' 0 C--O 1.224 -0.27 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.267 179.705 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' J' J ' 16' ' ' TYR . . . . . 0.436 ' HB2' ' O ' ' J' ' 12' ' ' VAL . 1.1 t80 -47.1 -44.22 21.1 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 123.738 0.815 . . . . 0.0 111.729 -179.444 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' J' J ' 17' ' ' LEU . . . . . 0.476 HD12 ' HE2' ' L' ' 5' ' ' HIS . 2.6 mm? -63.52 -44.89 92.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.249 179.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 57.8 t -71.68 -37.19 62.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.873 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 19' ' ' CYS . . . . . 0.428 ' HB3' ' HB2' ' J' ' 22' ' ' ARG . 76.4 m -66.09 -25.86 67.21 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.281 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' J' J ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.87 -108.99 2.66 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 121.002 -0.618 . . . . 0.0 112.374 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 21' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -95.42 -3.61 46.68 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.849 0.357 . . . . 0.0 110.894 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 22' ' ' ARG . . . . . 0.428 ' HB2' ' HB3' ' J' ' 19' ' ' CYS . 77.8 mtt180 -82.16 167.78 18.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.129 0.49 . . . . 0.0 109.976 179.06 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' J' J ' 23' ' ' GLY . . . . . 0.413 ' HA3' ' HD2' ' L' ' 28' ' ' PRO . . . -104.07 -153.05 22.92 Favored Glycine 0 N--CA 1.44 -1.056 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 177.015 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' J' J ' 24' ' ' PHE . . . . . 0.771 ' CZ ' ' HB ' ' J' ' 12' ' ' VAL . 2.9 p90 -166.15 141.04 4.56 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.593 0.711 . . . . 0.0 111.503 178.742 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' J' J ' 25' ' ' PHE . . . . . 0.607 ' HA ' ' HA ' ' L' ' 25' ' ' PHE . 2.8 p90 -99.14 90.21 4.51 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 178.128 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' J' J ' 26' ' ' TYR . . . . . 0.776 ' HH ' HD13 ' J' ' 11' ' ' LEU . 8.0 t80 -82.34 92.6 7.01 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.564 -178.107 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' J' J ' 27' ' ' THR . . . . . . . . . . . . . 16.7 p -110.9 93.99 18.95 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.744 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 28' ' ' PRO . . . . . 0.446 ' HD2' ' HA3' ' L' ' 23' ' ' GLY . 82.4 Cg_endo -77.76 52.71 4.08 Favored 'Trans proline' 0 C--O 1.235 0.365 0 C-N-CA 122.758 2.306 . . . . 0.0 112.296 -179.37 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' J' J ' 29' ' ' LYS . . . . . . . . . . . . . 43.9 tttm -154.09 142.58 20.7 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.509 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 30' ' ' THR . . . . . . . . . . . . . 14.2 m . . . . . 0 C--O 1.253 1.27 0 CA-C-O 118.126 -0.94 . . . . 0.0 109.358 179.33 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.582 0 N-CA-C 112.615 -0.194 . . . . 0.0 112.615 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' K' K ' 2' ' ' ILE . . . . . . . . . . . . . 11.0 tt -60.69 -38.54 78.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.729 0.299 . . . . 0.0 111.607 -178.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' K' K ' 3' ' ' VAL . . . . . . . . . . . . . 46.3 t -66.06 -47.71 84.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.02 0.438 . . . . 0.0 110.836 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' K' K ' 4' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -65.93 -13.35 59.58 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.758 -0.655 . . . . 0.0 112.1 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' K' K ' 5' ' ' GLN . . . . . 0.551 ' HG2' ' SG ' ' K' ' 11' ' ' CYS . 34.3 tt0 -106.33 -37.95 6.38 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -178.412 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' K' K ' 6' ' ' CYS . . . . . . . . . . . . . 83.5 m -97.71 -33.24 11.37 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 113.42 0.896 . . . . 0.0 113.42 -177.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' K' K ' 7' ' ' CYS . . . . . 0.438 ' O ' HG11 ' H' ' 2' ' ' VAL . 43.2 t -77.09 -18.01 58.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 121.984 -0.447 . . . . 0.0 110.614 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' K' K ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -69.32 -58.89 3.43 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' K' K ' 9' ' ' SER . . . . . 0.403 ' O ' ' HB ' ' K' ' 10' ' ' ILE . 50.1 m -150.32 31.74 0.66 Allowed 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -179.364 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' K' K ' 10' ' ' ILE . . . . . 0.468 HG21 ' N ' ' K' ' 11' ' ' CYS . 1.7 mp 70.51 143.17 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 CA-C-O 121.582 0.706 . . . . 0.0 112.821 178.579 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' K' K ' 11' ' ' CYS . . . . . 0.551 ' SG ' ' HG2' ' K' ' 5' ' ' GLN . 95.9 m -104.82 162.41 13.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.917 179.269 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' K' K ' 12' ' ' SER . . . . . . . . . . . . . 6.5 m -70.35 159.26 34.46 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.234 179.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' K' K ' 13' ' ' LEU . . . . . 0.429 ' C ' HD21 ' K' ' 13' ' ' LEU . 7.0 tt -60.01 -55.13 37.74 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.676 0.274 . . . . 0.0 110.867 -179.418 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 11.3 p90 -65.88 -19.02 65.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.97 0.415 . . . . 0.0 111.153 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -71.74 -36.55 70.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.164 0.506 . . . . 0.0 109.91 179.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' K' K ' 16' ' ' LEU . . . . . 0.476 ' HB3' HD22 ' L' ' 15' ' ' LEU . 92.7 mt -70.18 -28.36 65.26 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.119 179.753 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' K' K ' 17' ' ' GLU . . . . . . . . . . . . . 76.4 tt0 -66.15 -18.38 65.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.173 -179.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' K' K ' 18' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -73.95 -5.89 43.99 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.15 0.5 . . . . 0.0 110.71 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' K' K ' 19' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -109.72 -102.73 0.38 Allowed 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 178.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' K' K ' 20' ' ' CYS . . . . . . . . . . . . . 36.3 m 51.9 -126.35 2.39 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 178.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' K' K ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.246 0.893 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 -179.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' L' L ' 1' ' ' PHE . . . . . 0.471 ' O ' HG21 ' L' ' 2' ' ' VAL . 50.3 t80 . . . . . 0 N--CA 1.481 1.083 0 N-CA-C 111.254 0.094 . . . . 0.0 111.254 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' L' L ' 2' ' ' VAL . . . . . 0.471 HG21 ' O ' ' L' ' 1' ' ' PHE . 20.2 m 40.97 -126.29 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 124.089 0.956 . . . . 0.0 112.595 -179.222 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' L' L ' 3' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -163.98 164.64 23.09 Favored 'General case' 0 C--O 1.237 0.396 0 O-C-N 122.269 -0.269 . . . . 0.0 110.671 -178.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' L' L ' 4' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -51.33 -29.71 16.08 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 123.312 0.645 . . . . 0.0 110.955 178.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' L' L ' 5' ' ' HIS . . . . . 0.476 ' HE2' HD12 ' J' ' 17' ' ' LEU . 70.9 t60 -54.3 -20.18 6.68 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.448 179.653 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' L' L ' 6' ' ' LEU . . . . . . . . . . . . . 22.9 mt -114.63 -40.39 3.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.618 178.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' L' L ' 7' ' ' CYS . . . . . . . . . . . . . 43.5 t -66.42 -44.14 83.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.594 -179.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' L' L ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.47 -35.67 92.06 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 121.026 -0.607 . . . . 0.0 113.02 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' L' L ' 9' ' ' SER . . . . . 0.486 ' O ' HG23 ' L' ' 12' ' ' VAL . 1.6 m -61.01 -33.24 72.95 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.887 0.375 . . . . 0.0 111.834 -179.577 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' L' L ' 10' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -88.57 -7.59 56.18 Favored 'General case' 0 CA--C 1.51 -0.566 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -178.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' L' L ' 11' ' ' LEU . . . . . 0.764 HD13 ' HH ' ' L' ' 26' ' ' TYR . 45.4 mt -72.85 -17.84 61.5 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 177.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' L' L ' 12' ' ' VAL . . . . . 0.789 ' HB ' ' CZ ' ' L' ' 24' ' ' PHE . 5.0 m -71.34 -34.94 55.58 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.585 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.637 179.135 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' L' L ' 13' ' ' GLU . . . . . 0.682 ' N ' HG21 ' L' ' 12' ' ' VAL . 30.5 mm-40 -55.98 -42.77 76.81 Favored 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 179.661 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' L' L ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.48 -50.72 42.71 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.444 -1.253 . . . . 0.0 110.849 178.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' L' L ' 15' ' ' LEU . . . . . 0.476 HD22 ' HB3' ' K' ' 16' ' ' LEU . 90.4 mt -57.72 -56.65 19.22 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.294 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' L' L ' 16' ' ' TYR . . . . . 0.43 ' HB2' ' O ' ' L' ' 12' ' ' VAL . 1.0 OUTLIER -47.32 -43.16 22.44 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.667 -179.476 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' L' L ' 17' ' ' LEU . . . . . 0.488 HD12 ' HE2' ' J' ' 5' ' ' HIS . 2.5 mm? -63.93 -45.65 88.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.249 179.745 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 57.6 t -70.7 -38.03 71.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.187 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' L' L ' 19' ' ' CYS . . . . . 0.429 ' HB3' ' HB2' ' L' ' 22' ' ' ARG . 81.3 m -64.83 -27.32 68.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.227 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' L' L ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.37 -108.82 2.64 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.301 179.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' L' L ' 21' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -96.2 -3.22 44.71 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.987 0.422 . . . . 0.0 110.839 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' L' L ' 22' ' ' ARG . . . . . 0.429 ' HB2' ' HB3' ' L' ' 19' ' ' CYS . 78.3 mtt180 -82.32 167.14 18.87 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.088 178.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' L' L ' 23' ' ' GLY . . . . . 0.446 ' HA3' ' HD2' ' J' ' 28' ' ' PRO . . . -103.79 -153.43 23.38 Favored Glycine 0 N--CA 1.441 -0.969 0 N-CA-C 109.718 -1.353 . . . . 0.0 109.718 177.053 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' L' L ' 24' ' ' PHE . . . . . 0.789 ' CZ ' ' HB ' ' L' ' 12' ' ' VAL . 2.9 p90 -165.78 141.52 5.04 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.696 0.76 . . . . 0.0 111.683 178.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' L' L ' 25' ' ' PHE . . . . . 0.607 ' HA ' ' HA ' ' J' ' 25' ' ' PHE . 2.6 p90 -99.36 90.42 4.53 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 177.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' L' L ' 26' ' ' TYR . . . . . 0.764 ' HH ' HD13 ' L' ' 11' ' ' LEU . 8.4 t80 -82.43 92.45 7.03 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.584 -178.124 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' L' L ' 27' ' ' THR . . . . . . . . . . . . . 18.1 p -110.73 94.98 21.41 Favored Pre-proline 0 C--N 1.32 -0.679 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.435 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' L' L ' 28' ' ' PRO . . . . . 0.413 ' HD2' ' HA3' ' J' ' 23' ' ' GLY . 71.7 Cg_endo -77.99 50.14 3.2 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.831 2.354 . . . . 0.0 112.389 -179.167 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' L' L ' 29' ' ' LYS . . . . . . . . . . . . . 45.5 tttm . . . . . 0 C--N 1.322 -0.622 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.64 -179.939 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.521 0 N-CA-C 111.674 -0.57 . . . . 0.0 111.674 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.1 tt -160.66 -45.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 O-C-N 122.609 -0.347 . . . . 0.0 111.105 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.673 HG23 ' HA ' ' B' ' 28' ' ' PRO . 21.1 t -51.91 -49.22 38.28 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.482 -179.103 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.666 ' HB2' HE21 ' B' ' 4' ' ' GLN . 31.3 tt0 -99.06 -45.76 5.82 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 120.549 -0.46 . . . . 0.0 109.97 179.298 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -44.85 -52.18 8.81 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.948 0.721 . . . . 0.0 112.948 -179.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.527 ' O ' ' HA ' ' A' ' 10' ' ' ILE . 81.6 m -81.26 -14.85 56.99 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -178.101 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.0 t -98.03 -22.7 16.12 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 120.253 -0.579 . . . . 0.0 111.326 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.847 HG21 ' H ' ' A' ' 9' ' ' SER . 11.1 t -80.27 -66.84 0.83 Allowed 'General case' 0 CA--C 1.535 0.379 0 O-C-N 121.725 -0.609 . . . . 0.0 111.343 -179.151 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.847 ' H ' HG21 ' A' ' 8' ' ' THR . 29.6 m -105.53 -4.98 20.61 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 117.713 0.233 . . . . 0.0 111.145 -179.545 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.807 HD12 ' HB3' ' F' ' 5' ' ' HIS . 34.6 mt 77.03 138.09 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 CA-C-O 121.505 0.669 . . . . 0.0 112.334 179.153 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.694 ' HB2' HD22 ' A' ' 16' ' ' LEU . 77.5 m -101.08 141.29 34.18 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.038 179.202 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.1 m -71.55 165.82 23.09 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 178.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.5 tt -54.38 -46.38 73.05 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.685 0.278 . . . . 0.0 110.762 -179.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 13.6 m-30 -63.43 -31.95 73.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.776 0.322 . . . . 0.0 111.222 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -71.37 -39.15 71.41 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.141 179.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.694 HD22 ' HB2' ' A' ' 11' ' ' CYS . 96.1 mt -64.42 -32.06 73.52 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.265 179.691 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -62.35 -19.44 63.35 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.817 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -74.9 -12.9 60.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.787 0.327 . . . . 0.0 110.941 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -120.05 30.15 7.15 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.468 0.652 . . . . 0.0 110.124 -179.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.7 t -102.91 177.21 4.91 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.321 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.251 1.18 0 CA-C-O 118.437 -0.792 . . . . 0.0 110.18 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . 0.43 ' N ' ' HA ' ' I' ' 8' ' ' THR . 17.3 p90 . . . . . 0 N--CA 1.481 1.107 0 N-CA-C 111.562 0.208 . . . . 0.0 111.562 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . 0.565 HG22 ' HA ' ' I' ' 9' ' ' SER . 21.6 t -78.23 74.63 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.095 0 CA-C-O 121.657 0.742 . . . . 0.0 109.566 179.541 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . 0.783 ' HB3' ' HB3' ' B' ' 7' ' ' CYS . 77.1 m-20 -76.46 0.26 20.43 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.683 -178.69 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . 0.666 HE21 ' HB2' ' A' ' 4' ' ' GLU . 81.9 mt-30 -66.52 -36.01 81.66 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.16 0.505 . . . . 0.0 110.415 179.403 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . 0.821 ' HB3' HD12 ' I' ' 10' ' ' ILE . 72.9 t60 -97.87 -7.82 29.52 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.754 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.562 ' HB2' ' HA ' ' B' ' 3' ' ' ASN . 77.0 mt -101.34 -76.42 0.57 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.887 179.405 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . 0.783 ' HB3' ' HB3' ' B' ' 3' ' ' ASN . 0.0 OUTLIER -64.42 -33.58 76.2 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.292 178.764 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . 0.728 ' HA2' ' HG ' ' B' ' 11' ' ' LEU . . . -55.78 -30.99 57.64 Favored Glycine 0 C--N 1.336 0.55 0 C-N-CA 121.167 -0.54 . . . . 0.0 112.269 178.719 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' SER . . . . . 0.512 ' HB3' ' HG3' ' D' ' 13' ' ' GLU . 13.4 m -69.34 -7.18 34.97 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.002 0.43 . . . . 0.0 111.102 179.241 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 -114.22 -8.07 12.96 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.784 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.728 ' HG ' ' HA2' ' B' ' 8' ' ' GLY . 70.2 mt -66.42 -33.86 76.66 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 177.352 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.709 HG22 HG22 ' D' ' 12' ' ' VAL . 2.9 m -67.61 -31.68 53.57 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.413 0 CA-C-N 114.602 -1.181 . . . . 0.0 110.791 178.176 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.524 ' HG3' ' HB3' ' D' ' 9' ' ' SER . 41.2 tt0 -62.49 -39.24 92.84 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 179.556 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.66 -46.61 62.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.937 178.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.513 HD22 ' HB3' ' A' ' 16' ' ' LEU . 60.0 mt -58.03 -42.01 84.44 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.627 0.727 . . . . 0.0 109.895 178.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . 0.532 ' HB2' ' O ' ' B' ' 12' ' ' VAL . 1.5 t80 -53.73 -45.46 70.51 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.37 -1.286 . . . . 0.0 110.916 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.409 ' N ' HD21 ' B' ' 17' ' ' LEU . 3.9 mm? -68.43 -45.27 72.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.139 179.635 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 65.6 t -64.0 -45.2 97.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.36 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 81.0 m -73.61 -19.35 60.89 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.115 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.09 -107.92 2.25 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.819 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -112.15 13.08 20.54 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.993 0.425 . . . . 0.0 111.116 -179.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 65.9 mtp180 -77.08 -73.43 0.29 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.321 0.581 . . . . 0.0 109.848 178.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . 0.465 ' CA ' ' HD2' ' D' ' 28' ' ' PRO . . . 138.56 -176.77 20.62 Favored Glycine 0 N--CA 1.446 -0.655 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.583 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . 0.449 ' CZ ' ' HB ' ' B' ' 12' ' ' VAL . 2.3 p90 -160.68 171.14 19.42 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.014 0.435 . . . . 0.0 110.647 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -129.43 135.83 49.16 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 178.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.453 ' OH ' ' HA ' ' A' ' 3' ' ' VAL . 3.2 t80 -140.15 107.36 5.49 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.186 -0.606 . . . . 0.0 111.458 -178.078 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' THR . . . . . 0.586 ' HB ' ' HG2' ' B' ' 29' ' ' LYS . 15.5 p -127.53 101.42 24.31 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.307 179.406 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . 0.673 ' HA ' HG23 ' A' ' 3' ' ' VAL . 47.0 Cg_endo -70.46 -2.73 11.15 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.836 2.357 . . . . 0.0 112.529 -179.553 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.586 ' HG2' ' HB ' ' B' ' 27' ' ' THR . 0.0 OUTLIER -67.29 167.86 11.59 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 121.297 0.57 . . . . 0.0 111.078 179.535 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 14.4 m . . . . . 0 C--O 1.245 0.821 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 178.668 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.485 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 7.4 tt -163.12 -46.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 117.024 0.412 . . . . 0.0 110.989 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 3' ' ' VAL . . . . . 0.701 HG23 ' HA ' ' D' ' 28' ' ' PRO . 18.0 t -50.6 -49.43 25.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.777 -179.664 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 4' ' ' GLU . . . . . 0.669 ' HB2' HE21 ' D' ' 4' ' ' GLN . 33.7 tt0 -99.67 -45.05 5.9 Favored 'General case' 0 N--CA 1.443 -0.784 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.066 179.296 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -45.71 -50.58 13.54 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.098 0.777 . . . . 0.0 113.098 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 6' ' ' CYS . . . . . 0.55 ' O ' ' HA ' ' C' ' 10' ' ' ILE . 83.9 m -82.62 -15.22 52.95 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 -178.043 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 7' ' ' CYS . . . . . . . . . . . . . 46.6 t -97.21 -23.8 16.01 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.27 -0.572 . . . . 0.0 111.421 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 8' ' ' THR . . . . . 0.843 HG21 ' H ' ' C' ' 9' ' ' SER . 11.6 t -79.61 -66.78 0.83 Allowed 'General case' 0 CA--C 1.536 0.418 0 O-C-N 121.79 -0.569 . . . . 0.0 111.651 -179.032 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 9' ' ' SER . . . . . 0.843 ' H ' HG21 ' C' ' 8' ' ' THR . 20.1 m -106.03 -3.42 21.63 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 117.817 0.28 . . . . 0.0 111.137 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . 0.793 HD12 ' HB3' ' L' ' 5' ' ' HIS . 35.2 mt 76.27 140.24 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 CA-C-N 115.691 -0.686 . . . . 0.0 112.179 179.018 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 11' ' ' CYS . . . . . 0.689 ' HB2' HD22 ' C' ' 16' ' ' LEU . 84.2 m -102.96 141.86 35.05 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.594 179.281 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 17.2 m -71.69 167.3 20.15 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 178.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 7.6 tt -55.56 -47.43 76.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.615 0.245 . . . . 0.0 110.638 -179.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 13.8 m-30 -62.31 -31.88 72.54 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.432 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -70.85 -40.09 72.56 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.285 178.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 16' ' ' LEU . . . . . 0.689 HD22 ' HB2' ' C' ' 11' ' ' CYS . 95.4 mt -63.57 -32.49 73.97 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.301 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -61.94 -19.8 63.13 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.819 0.342 . . . . 0.0 111.577 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -75.18 -11.39 60.07 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.935 0.398 . . . . 0.0 110.938 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -121.21 29.25 7.39 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.594 0.711 . . . . 0.0 109.915 -179.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 47.7 t -102.13 177.69 4.82 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.305 -179.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.25 1.129 0 CA-C-O 118.315 -0.85 . . . . 0.0 110.283 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 1' ' ' PHE . . . . . 0.436 ' N ' ' HA ' ' G' ' 8' ' ' THR . 18.4 p90 . . . . . 0 N--CA 1.48 1.049 0 N-CA-C 111.493 0.183 . . . . 0.0 111.493 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 2' ' ' VAL . . . . . 0.566 HG22 ' HA ' ' G' ' 9' ' ' SER . 21.5 t -78.8 75.52 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.138 0 CA-C-O 121.485 0.659 . . . . 0.0 109.406 179.393 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 3' ' ' ASN . . . . . 0.755 ' HB3' ' HB3' ' D' ' 7' ' ' CYS . 79.1 m-20 -77.59 0.41 23.21 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.633 -178.521 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 4' ' ' GLN . . . . . 0.669 HE21 ' HB2' ' C' ' 4' ' ' GLU . 82.5 mt-30 -66.62 -36.03 81.61 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.318 0.58 . . . . 0.0 110.536 179.401 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 5' ' ' HIS . . . . . 0.809 ' HB3' HD12 ' G' ' 10' ' ' ILE . 72.4 t60 -97.72 -7.5 30.67 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.847 179.727 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 6' ' ' LEU . . . . . 0.566 ' HB2' ' HA ' ' D' ' 3' ' ' ASN . 80.5 mt -101.64 -76.65 0.56 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.34 -0.846 . . . . 0.0 109.868 179.323 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 7' ' ' CYS . . . . . 0.755 ' HB3' ' HB3' ' D' ' 3' ' ' ASN . 0.0 OUTLIER -64.32 -33.34 75.6 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.226 178.729 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' D' D ' 8' ' ' GLY . . . . . 0.744 ' HA2' ' HG ' ' D' ' 11' ' ' LEU . . . -56.1 -30.76 58.14 Favored Glycine 0 C--N 1.335 0.492 0 C-N-CA 121.11 -0.566 . . . . 0.0 112.268 178.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 9' ' ' SER . . . . . 0.524 ' HB3' ' HG3' ' B' ' 13' ' ' GLU . 11.4 m -69.61 -7.36 38.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.949 0.404 . . . . 0.0 111.034 179.254 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 10' ' ' HIS . . . . . . . . . . . . . 85.9 m-70 -113.93 -8.17 13.12 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.717 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 11' ' ' LEU . . . . . 0.744 ' HG ' ' HA2' ' D' ' 8' ' ' GLY . 70.6 mt -66.17 -34.27 77.66 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 177.336 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 12' ' ' VAL . . . . . 0.709 HG22 HG22 ' B' ' 12' ' ' VAL . 3.1 m -67.43 -31.84 54.6 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.423 0 CA-C-N 114.692 -1.14 . . . . 0.0 110.812 178.387 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 13' ' ' GLU . . . . . 0.512 ' HG3' ' HB3' ' B' ' 9' ' ' SER . 41.1 tt0 -62.42 -38.88 91.41 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.366 0.603 . . . . 0.0 109.387 179.642 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.03 -46.16 62.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.08 178.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 15' ' ' LEU . . . . . 0.487 HD22 ' HB3' ' C' ' 16' ' ' LEU . 66.0 mt -58.42 -41.93 86.1 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 121.497 0.665 . . . . 0.0 109.838 178.764 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 16' ' ' TYR . . . . . 0.535 ' HB2' ' O ' ' D' ' 12' ' ' VAL . 1.5 t80 -53.88 -45.44 71.06 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.538 -1.21 . . . . 0.0 110.896 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . 0.418 ' N ' HD21 ' D' ' 17' ' ' LEU . 3.9 mm? -68.64 -45.29 72.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.926 179.614 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 71.6 t -63.96 -45.27 97.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.133 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 19' ' ' CYS . . . . . . . . . . . . . 85.0 m -73.44 -19.5 60.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.291 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.61 -110.04 3.24 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.998 -0.62 . . . . 0.0 112.549 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -108.93 10.9 26.27 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.816 0.341 . . . . 0.0 111.339 -179.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 22' ' ' ARG . . . . . . . . . . . . . 66.9 mtp180 -74.77 -73.11 0.25 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.233 0.539 . . . . 0.0 110.296 179.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 23' ' ' GLY . . . . . 0.485 ' CA ' ' HD2' ' B' ' 28' ' ' PRO . . . 138.23 -176.58 20.66 Favored Glycine 0 N--CA 1.446 -0.663 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.578 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 24' ' ' PHE . . . . . 0.455 ' CZ ' ' HB ' ' D' ' 12' ' ' VAL . 2.3 p90 -161.07 170.99 19.38 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.127 0.489 . . . . 0.0 110.817 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 25' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -129.15 136.73 50.57 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 177.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 26' ' ' TYR . . . . . 0.468 ' OH ' ' HA ' ' C' ' 3' ' ' VAL . 3.2 t80 -141.16 106.57 5.04 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.147 -0.621 . . . . 0.0 111.279 -178.132 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 27' ' ' THR . . . . . 0.585 ' HB ' ' HG2' ' D' ' 29' ' ' LYS . 12.1 p -127.34 101.56 24.75 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.024 179.324 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 28' ' ' PRO . . . . . 0.701 ' HA ' HG23 ' C' ' 3' ' ' VAL . 44.9 Cg_endo -70.22 -2.94 11.33 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 123.059 2.506 . . . . 0.0 112.596 -179.515 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 29' ' ' LYS . . . . . 0.585 ' HG2' ' HB ' ' D' ' 27' ' ' THR . 0.0 OUTLIER -67.03 168.44 10.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.093 179.73 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 15.1 m . . . . . 0 C--O 1.245 0.854 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 178.799 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.631 0 N-CA-C 111.871 -0.492 . . . . 0.0 111.871 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' E' E ' 2' ' ' ILE . . . . . . . . . . . . . 7.0 tt -160.8 -45.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.315 -0.919 0 O-C-N 122.431 -0.452 . . . . 0.0 110.945 179.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 3' ' ' VAL . . . . . 0.693 HG23 ' HA ' ' F' ' 28' ' ' PRO . 21.0 t -51.69 -48.82 36.88 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.684 -179.185 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' E' E ' 4' ' ' GLU . . . . . 0.667 ' HB2' HE21 ' F' ' 4' ' ' GLN . 34.0 tt0 -99.63 -45.1 5.89 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.339 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -45.85 -50.73 13.97 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 -179.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 6' ' ' CYS . . . . . 0.541 ' O ' ' HA ' ' E' ' 10' ' ' ILE . 84.6 m -82.92 -14.94 53.2 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 -177.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' E' E ' 7' ' ' CYS . . . . . . . . . . . . . 47.3 t -97.08 -23.6 16.17 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.262 -0.575 . . . . 0.0 111.332 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 8' ' ' THR . . . . . 0.847 HG21 ' H ' ' E' ' 9' ' ' SER . 9.3 t -79.56 -67.89 0.72 Allowed 'General case' 0 C--O 1.235 0.333 0 O-C-N 121.663 -0.648 . . . . 0.0 111.545 -179.356 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' E' E ' 9' ' ' SER . . . . . 0.847 ' H ' HG21 ' E' ' 8' ' ' THR . 23.9 m -104.38 -4.88 22.28 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 117.656 0.207 . . . . 0.0 111.186 -179.435 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' E' E ' 10' ' ' ILE . . . . . 0.795 HD12 ' HB3' ' J' ' 5' ' ' HIS . 35.8 mt 76.8 138.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.286 0 CA-C-O 121.555 0.693 . . . . 0.0 112.326 179.362 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' E' E ' 11' ' ' CYS . . . . . 0.701 ' HB2' HD22 ' E' ' 16' ' ' LEU . 79.8 m -101.53 141.58 34.19 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.976 179.262 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' E' E ' 12' ' ' SER . . . . . . . . . . . . . 12.2 m -71.06 167.37 19.39 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 178.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 7.7 tt -56.43 -46.36 80.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.577 0.227 . . . . 0.0 110.44 -179.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 13.4 m-30 -63.06 -32.12 73.41 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.88 0.371 . . . . 0.0 111.315 179.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -70.73 -40.41 72.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.96 0.409 . . . . 0.0 110.213 179.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 16' ' ' LEU . . . . . 0.701 HD22 ' HB2' ' E' ' 11' ' ' CYS . 95.7 mt -63.04 -33.01 74.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.362 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' E' E ' 17' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -61.29 -21.37 63.88 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.624 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 18' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -73.52 -12.91 60.93 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.738 0.304 . . . . 0.0 110.836 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 19' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -119.62 29.5 7.56 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.546 0.688 . . . . 0.0 110.069 -179.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 20' ' ' CYS . . . . . . . . . . . . . 43.7 t -102.5 175.55 5.47 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.068 -0.969 . . . . 0.0 110.489 -179.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 21' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.525 -0.75 . . . . 0.0 110.696 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 1' ' ' PHE . . . . . 0.439 ' N ' ' HA ' ' A' ' 8' ' ' THR . 17.5 p90 . . . . . 0 N--CA 1.483 1.195 0 N-CA-C 111.665 0.246 . . . . 0.0 111.665 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 2' ' ' VAL . . . . . 0.536 HG22 ' HA ' ' A' ' 9' ' ' SER . 21.6 t -78.3 76.27 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.135 0 CA-C-O 121.545 0.688 . . . . 0.0 109.454 179.35 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' F' F ' 3' ' ' ASN . . . . . 0.749 ' HB3' ' HB3' ' F' ' 7' ' ' CYS . 77.5 m-20 -77.98 -0.65 28.57 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.503 -178.676 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' F' F ' 4' ' ' GLN . . . . . 0.667 HE21 ' HB2' ' E' ' 4' ' ' GLU . 84.3 mt-30 -65.36 -36.08 82.91 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.334 0.588 . . . . 0.0 110.637 179.442 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' F' F ' 5' ' ' HIS . . . . . 0.807 ' HB3' HD12 ' A' ' 10' ' ' ILE . 74.6 t60 -97.68 -8.0 29.7 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.763 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' F' F ' 6' ' ' LEU . . . . . 0.558 ' HB2' ' HA ' ' F' ' 3' ' ' ASN . 77.3 mt -101.35 -76.95 0.55 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.735 179.359 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' F' F ' 7' ' ' CYS . . . . . 0.749 ' HB3' ' HB3' ' F' ' 3' ' ' ASN . 0.0 OUTLIER -63.92 -33.55 75.96 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.388 178.694 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' F' F ' 8' ' ' GLY . . . . . 0.725 ' HA2' ' HG ' ' F' ' 11' ' ' LEU . . . -55.86 -31.04 57.93 Favored Glycine 0 C--N 1.336 0.549 0 C-N-CA 121.175 -0.536 . . . . 0.0 112.216 178.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' F' F ' 9' ' ' SER . . . . . 0.509 ' HB3' ' HG3' ' H' ' 13' ' ' GLU . 14.0 m -69.21 -7.73 39.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.919 0.39 . . . . 0.0 111.095 179.341 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' F' F ' 10' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 -113.54 -8.05 13.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.777 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 11' ' ' LEU . . . . . 0.725 ' HG ' ' HA2' ' F' ' 8' ' ' GLY . 68.1 mt -66.28 -33.92 76.82 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 107.616 -1.253 . . . . 0.0 107.616 177.506 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' F' F ' 12' ' ' VAL . . . . . 0.68 HG22 HG22 ' H' ' 12' ' ' VAL . 3.1 m -67.59 -32.13 55.6 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.38 0 CA-C-N 114.378 -1.283 . . . . 0.0 110.849 178.213 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' F' F ' 13' ' ' GLU . . . . . 0.519 ' HG3' ' HB3' ' H' ' 9' ' ' SER . 41.0 tt0 -62.16 -39.07 91.42 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 179.585 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' F' F ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.1 -45.59 63.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.258 178.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 15' ' ' LEU . . . . . 0.482 HD22 ' HB3' ' E' ' 16' ' ' LEU . 61.8 mt -58.89 -41.87 88.18 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.647 178.73 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' F' F ' 16' ' ' TYR . . . . . 0.528 ' HB2' ' O ' ' F' ' 12' ' ' VAL . 1.5 t80 -53.58 -46.28 70.25 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.551 -1.204 . . . . 0.0 110.787 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' F' F ' 17' ' ' LEU . . . . . 0.418 ' N ' HD21 ' F' ' 17' ' ' LEU . 3.9 mm? -68.14 -44.84 75.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.154 179.607 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 66.3 t -64.41 -44.38 97.08 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 CA-C-O 121.007 0.432 . . . . 0.0 111.203 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 19' ' ' CYS . . . . . . . . . . . . . 83.3 m -74.46 -19.23 60.46 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.192 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.43 -108.35 2.4 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 121.162 -0.542 . . . . 0.0 112.841 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 21' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -110.55 11.72 22.92 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.903 0.382 . . . . 0.0 111.288 -179.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 22' ' ' ARG . . . . . . . . . . . . . 66.8 mtp180 -76.05 -74.05 0.24 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.216 0.532 . . . . 0.0 110.047 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 23' ' ' GLY . . . . . 0.459 ' CA ' ' HD2' ' H' ' 28' ' ' PRO . . . 139.44 -176.53 21.02 Favored Glycine 0 N--CA 1.446 -0.693 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.626 -179.773 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' F' F ' 24' ' ' PHE . . . . . 0.459 ' CZ ' ' HB ' ' F' ' 12' ' ' VAL . 2.2 p90 -160.86 170.97 19.59 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.131 0.491 . . . . 0.0 110.683 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' F' F ' 25' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -129.56 135.19 48.28 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 178.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 26' ' ' TYR . . . . . 0.447 ' OH ' ' HA ' ' E' ' 3' ' ' VAL . 3.3 t80 -139.59 106.94 5.52 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 120.106 -0.638 . . . . 0.0 111.537 -177.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' F' F ' 27' ' ' THR . . . . . 0.568 ' HB ' ' HG2' ' F' ' 29' ' ' LYS . 16.8 p -127.13 101.16 25.89 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.296 179.288 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' F' F ' 28' ' ' PRO . . . . . 0.693 ' HA ' HG23 ' E' ' 3' ' ' VAL . 50.2 Cg_endo -70.3 -3.97 13.45 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.771 2.314 . . . . 0.0 112.517 -179.508 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' F' F ' 29' ' ' LYS . . . . . 0.568 ' HG2' ' HB ' ' F' ' 27' ' ' THR . 0.0 OUTLIER -65.79 168.5 7.77 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.26 179.424 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' F' F ' 30' ' ' THR . . . . . . . . . . . . . 9.6 m . . . . . 0 C--O 1.247 0.922 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 178.519 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' G' G ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.894 0 N-CA-C 111.478 -0.649 . . . . 0.0 111.478 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' G' G ' 2' ' ' ILE . . . . . . . . . . . . . 7.0 tt -160.37 -45.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 O-C-N 122.757 -0.261 . . . . 0.0 111.032 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 3' ' ' VAL . . . . . 0.683 HG23 ' HA ' ' H' ' 28' ' ' PRO . 20.6 t -52.02 -47.85 41.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 121.083 0.468 . . . . 0.0 111.931 -179.119 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' G' G ' 4' ' ' GLU . . . . . 0.662 ' HB2' HE21 ' H' ' 4' ' ' GLN . 34.6 tt0 -99.85 -46.57 5.34 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 120.591 -0.443 . . . . 0.0 109.835 179.408 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' G' G ' 5' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -44.21 -53.15 6.83 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 6' ' ' CYS . . . . . 0.531 ' O ' ' HA ' ' G' ' 10' ' ' ILE . 81.1 m -80.31 -15.05 57.81 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 -178.045 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' G' G ' 7' ' ' CYS . . . . . . . . . . . . . 49.9 t -98.18 -21.84 16.5 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.357 -0.537 . . . . 0.0 111.56 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 8' ' ' THR . . . . . 0.849 HG21 ' H ' ' G' ' 9' ' ' SER . 8.9 t -81.07 -66.52 0.88 Allowed 'General case' 0 C--N 1.329 -0.322 0 O-C-N 121.897 -0.502 . . . . 0.0 111.498 -179.259 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' G' G ' 9' ' ' SER . . . . . 0.849 ' H ' HG21 ' G' ' 8' ' ' THR . 22.6 m -105.41 -6.59 19.39 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 117.66 0.209 . . . . 0.0 111.372 -179.609 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' G' G ' 10' ' ' ILE . . . . . 0.809 HD12 ' HB3' ' D' ' 5' ' ' HIS . 34.2 mt 78.65 137.3 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 O-C-N 124.187 0.929 . . . . 0.0 112.202 179.292 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' G' G ' 11' ' ' CYS . . . . . 0.688 ' HB2' HD22 ' G' ' 16' ' ' LEU . 82.8 m -100.04 141.68 32.55 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.911 179.227 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' G' G ' 12' ' ' SER . . . . . . . . . . . . . 15.6 m -72.02 166.73 21.64 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 178.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 13' ' ' LEU . . . . . . . . . . . . . 7.5 tt -54.95 -46.73 75.03 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.678 0.275 . . . . 0.0 110.699 -179.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 13.8 m-30 -62.95 -32.0 73.22 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.413 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -70.99 -39.21 72.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.792 0.33 . . . . 0.0 110.215 179.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 16' ' ' LEU . . . . . 0.688 HD22 ' HB2' ' G' ' 11' ' ' CYS . 95.5 mt -64.06 -32.96 74.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.272 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' G' G ' 17' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -61.68 -20.18 63.15 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 111.738 0.273 . . . . 0.0 111.738 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 18' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -74.5 -12.1 60.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.785 0.326 . . . . 0.0 110.776 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 19' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -121.11 31.14 6.5 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.642 0.734 . . . . 0.0 109.8 -179.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 20' ' ' CYS . . . . . . . . . . . . . 46.6 t -104.55 174.6 5.8 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.441 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 21' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.399 -0.81 . . . . 0.0 110.583 179.668 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' H' H ' 1' ' ' PHE . . . . . 0.42 ' N ' ' HA ' ' K' ' 8' ' ' THR . 17.7 p90 . . . . . 0 N--CA 1.48 1.057 0 N-CA-C 111.608 0.225 . . . . 0.0 111.608 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 2' ' ' VAL . . . . . 0.555 HG22 ' HA ' ' K' ' 9' ' ' SER . 21.6 t -78.75 74.36 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.149 0 CA-C-O 121.57 0.7 . . . . 0.0 109.516 179.611 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' H' H ' 3' ' ' ASN . . . . . 0.758 ' HB3' ' HB3' ' H' ' 7' ' ' CYS . 79.8 m-20 -77.18 2.18 16.17 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.654 -178.333 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' H' H ' 4' ' ' GLN . . . . . 0.662 HE21 ' HB2' ' G' ' 4' ' ' GLU . 84.6 mt-30 -68.27 -35.76 78.36 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.14 0.495 . . . . 0.0 110.264 179.458 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' H' H ' 5' ' ' HIS . . . . . 0.818 ' HB3' HD12 ' K' ' 10' ' ' ILE . 73.2 t60 -97.27 -9.09 28.3 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.647 179.736 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' H' H ' 6' ' ' LEU . . . . . 0.555 ' HB2' ' HA ' ' H' ' 3' ' ' ASN . 73.9 mt -100.24 -76.69 0.55 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.146 179.438 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' H' H ' 7' ' ' CYS . . . . . 0.758 ' HB3' ' HB3' ' H' ' 3' ' ' ASN . 0.0 OUTLIER -64.47 -32.77 74.54 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.261 178.884 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' H' H ' 8' ' ' GLY . . . . . 0.716 ' HA2' ' HG ' ' H' ' 11' ' ' LEU . . . -56.38 -31.11 59.42 Favored Glycine 0 C--N 1.334 0.441 0 C-N-CA 121.115 -0.564 . . . . 0.0 112.11 178.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' H' H ' 9' ' ' SER . . . . . 0.519 ' HB3' ' HG3' ' F' ' 13' ' ' GLU . 14.2 m -69.3 -7.27 35.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.857 0.36 . . . . 0.0 111.155 179.441 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' H' H ' 10' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 -114.24 -7.67 12.96 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.663 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 11' ' ' LEU . . . . . 0.716 ' HG ' ' HA2' ' H' ' 8' ' ' GLY . 69.4 mt -66.79 -33.78 76.38 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 177.333 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' H' H ' 12' ' ' VAL . . . . . 0.68 HG22 HG22 ' F' ' 12' ' ' VAL . 2.9 m -67.75 -31.67 53.31 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.288 0 CA-C-N 114.513 -1.221 . . . . 0.0 110.71 178.241 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' H' H ' 13' ' ' GLU . . . . . 0.509 ' HG3' ' HB3' ' F' ' 9' ' ' SER . 40.9 tt0 -62.59 -38.75 91.34 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 179.634 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' H' H ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.28 -46.42 60.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.934 178.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 15' ' ' LEU . . . . . 0.471 HD22 ' HB3' ' G' ' 16' ' ' LEU . 62.4 mt -58.28 -41.7 84.93 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.592 0.71 . . . . 0.0 109.823 178.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' H' H ' 16' ' ' TYR . . . . . 0.526 ' HB2' ' O ' ' H' ' 12' ' ' VAL . 1.5 t80 -53.74 -46.13 70.78 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 114.476 -1.238 . . . . 0.0 110.752 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' H' H ' 17' ' ' LEU . . . . . 0.419 ' N ' HD21 ' H' ' 17' ' ' LEU . 3.9 mm? -67.81 -45.19 75.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.163 179.535 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 61.4 t -63.74 -46.55 94.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.144 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 19' ' ' CYS . . . . . . . . . . . . . 82.2 m -72.4 -19.13 61.66 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.388 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.18 -108.97 2.65 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.885 179.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 21' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -110.44 12.64 22.94 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.796 0.332 . . . . 0.0 111.43 -179.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 22' ' ' ARG . . . . . . . . . . . . . 67.0 mtp180 -77.24 -73.77 0.28 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.944 179.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 23' ' ' GLY . . . . . 0.476 ' CA ' ' HD2' ' F' ' 28' ' ' PRO . . . 139.24 -176.45 21.0 Favored Glycine 0 N--CA 1.445 -0.729 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.546 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' H' H ' 24' ' ' PHE . . . . . 0.451 ' CZ ' ' HB ' ' H' ' 12' ' ' VAL . 2.3 p90 -161.29 170.36 20.35 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.25 0.547 . . . . 0.0 110.601 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' H' H ' 25' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -128.78 136.98 51.27 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 177.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 26' ' ' TYR . . . . . 0.447 ' OH ' ' HA ' ' G' ' 3' ' ' VAL . 3.2 t80 -141.45 106.61 4.98 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.212 -0.595 . . . . 0.0 111.385 -177.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' H' H ' 27' ' ' THR . . . . . 0.575 ' HB ' ' HG2' ' H' ' 29' ' ' LYS . 10.1 p -127.04 100.75 26.77 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.264 179.595 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' H' H ' 28' ' ' PRO . . . . . 0.683 ' HA ' HG23 ' G' ' 3' ' ' VAL . 52.8 Cg_endo -70.09 -1.22 8.38 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.688 2.259 . . . . 0.0 112.645 -179.602 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' H' H ' 29' ' ' LYS . . . . . 0.575 ' HG2' ' HB ' ' H' ' 27' ' ' THR . 0.0 OUTLIER -69.28 164.85 21.87 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.316 179.831 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' H' H ' 30' ' ' THR . . . . . . . . . . . . . 9.0 m . . . . . 0 C--O 1.245 0.861 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 178.535 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' I' I ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.688 0 N-CA-C 111.294 -0.722 . . . . 0.0 111.294 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' I' I ' 2' ' ' ILE . . . . . . . . . . . . . 6.6 tt -160.05 -45.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.315 -0.916 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.051 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 3' ' ' VAL . . . . . 0.672 HG23 ' HA ' ' J' ' 28' ' ' PRO . 20.0 t -51.78 -50.32 32.66 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.099 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.463 -179.434 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' I' I ' 4' ' ' GLU . . . . . 0.665 ' HB2' HE21 ' J' ' 4' ' ' GLN . 32.7 tt0 -97.84 -45.93 6.13 Favored 'General case' 0 N--CA 1.443 -0.819 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.03 179.274 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' I' I ' 5' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -44.46 -52.77 7.56 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -179.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 6' ' ' CYS . . . . . 0.538 ' O ' ' HA ' ' I' ' 10' ' ' ILE . 81.5 m -80.75 -15.12 57.29 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 113.191 0.811 . . . . 0.0 113.191 -177.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' I' I ' 7' ' ' CYS . . . . . . . . . . . . . 45.8 t -97.58 -22.47 16.49 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.452 -0.499 . . . . 0.0 111.327 -179.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 8' ' ' THR . . . . . 0.844 HG21 ' H ' ' I' ' 9' ' ' SER . 10.6 t -80.48 -66.96 0.82 Allowed 'General case' 0 CA--C 1.534 0.349 0 O-C-N 121.789 -0.569 . . . . 0.0 111.472 -179.138 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' I' I ' 9' ' ' SER . . . . . 0.844 ' H ' HG21 ' I' ' 8' ' ' THR . 19.9 m -105.34 -6.01 19.98 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.566 0.222 . . . . 0.0 111.242 -179.446 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' I' I ' 10' ' ' ILE . . . . . 0.821 HD12 ' HB3' ' B' ' 5' ' ' HIS . 35.0 mt 77.81 136.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-N 115.626 -0.716 . . . . 0.0 112.22 179.322 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' I' I ' 11' ' ' CYS . . . . . 0.692 ' HB2' HD22 ' I' ' 16' ' ' LEU . 80.3 m -99.53 142.34 31.13 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.432 -0.803 . . . . 0.0 109.842 179.193 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' I' I ' 12' ' ' SER . . . . . . . . . . . . . 19.9 m -72.4 167.39 20.63 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 178.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 13' ' ' LEU . . . . . . . . . . . . . 7.7 tt -56.14 -46.47 79.21 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.599 0.238 . . . . 0.0 110.563 -179.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 13.8 m-30 -63.11 -32.2 73.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.764 0.316 . . . . 0.0 111.261 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 15' ' ' GLN . . . . . 0.415 ' OE1' ' HA ' ' I' ' 15' ' ' GLN . 12.1 mm100 -70.62 -39.82 73.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.89 0.376 . . . . 0.0 110.326 179.136 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' I' I ' 16' ' ' LEU . . . . . 0.692 HD22 ' HB2' ' I' ' 11' ' ' CYS . 95.8 mt -63.59 -32.53 74.03 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.19 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' I' I ' 17' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -62.19 -18.89 62.32 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.703 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 18' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -76.18 -10.73 59.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.076 0.465 . . . . 0.0 110.774 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 19' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -122.35 31.64 6.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.5 0.666 . . . . 0.0 109.716 -179.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 20' ' ' CYS . . . . . . . . . . . . . 49.6 t -105.21 175.26 5.55 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.447 -179.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 21' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.251 1.153 0 CA-C-O 118.591 -0.718 . . . . 0.0 110.676 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 1' ' ' PHE . . . . . 0.443 ' N ' ' HA ' ' E' ' 8' ' ' THR . 17.2 p90 . . . . . 0 N--CA 1.479 0.988 0 N-CA-C 111.61 0.226 . . . . 0.0 111.61 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 2' ' ' VAL . . . . . 0.533 HG22 ' HA ' ' E' ' 9' ' ' SER . 21.5 t -77.74 74.22 0.57 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.128 0 CA-C-O 121.558 0.694 . . . . 0.0 109.982 179.502 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' J' J ' 3' ' ' ASN . . . . . 0.762 ' HB3' ' HB3' ' J' ' 7' ' ' CYS . 78.4 m-20 -76.12 0.35 19.18 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.761 -178.75 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' J' J ' 4' ' ' GLN . . . . . 0.665 HE21 ' HB2' ' I' ' 4' ' ' GLU . 85.1 mt-30 -66.98 -35.46 80.01 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.224 0.535 . . . . 0.0 110.442 179.319 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' J' J ' 5' ' ' HIS . . . . . 0.795 ' HB3' HD12 ' E' ' 10' ' ' ILE . 73.6 t60 -98.01 -8.34 28.11 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.802 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' J' J ' 6' ' ' LEU . . . . . 0.576 ' HB2' ' HA ' ' J' ' 3' ' ' ASN . 74.8 mt -101.02 -76.76 0.55 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.916 179.608 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' J' J ' 7' ' ' CYS . . . . . 0.762 ' HB3' ' HB3' ' J' ' 3' ' ' ASN . 0.0 OUTLIER -64.29 -33.17 75.22 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.329 -0.851 . . . . 0.0 110.336 178.718 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' J' J ' 8' ' ' GLY . . . . . 0.735 ' HA2' ' HG ' ' J' ' 11' ' ' LEU . . . -56.13 -31.01 58.63 Favored Glycine 0 C--N 1.335 0.523 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.255 178.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' J' J ' 9' ' ' SER . . . . . 0.536 ' HB3' ' HG3' ' L' ' 13' ' ' GLU . 14.1 m -69.21 -7.54 37.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.005 0.431 . . . . 0.0 111.043 179.385 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' J' J ' 10' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -113.85 -7.95 13.18 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.762 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 11' ' ' LEU . . . . . 0.735 ' HG ' ' HA2' ' J' ' 8' ' ' GLY . 69.9 mt -66.42 -33.86 76.64 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 177.521 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' J' J ' 12' ' ' VAL . . . . . 0.664 HG22 HG22 ' L' ' 12' ' ' VAL . 3.1 m -67.65 -31.85 54.25 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.433 0 CA-C-N 114.465 -1.243 . . . . 0.0 110.755 178.391 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' J' J ' 13' ' ' GLU . . . . . 0.502 ' HG3' ' HB3' ' L' ' 9' ' ' SER . 43.2 tt0 -62.56 -38.5 90.32 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 179.67 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' J' J ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.26 -46.11 61.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.034 178.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 15' ' ' LEU . . . . . 0.52 HD22 ' HB3' ' I' ' 16' ' ' LEU . 59.6 mt -58.87 -41.65 87.55 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 121.563 0.697 . . . . 0.0 109.706 178.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' J' J ' 16' ' ' TYR . . . . . 0.522 ' HB2' ' O ' ' J' ' 12' ' ' VAL . 1.6 t80 -54.04 -45.17 71.55 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 114.565 -1.198 . . . . 0.0 110.715 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' J' J ' 17' ' ' LEU . . . . . 0.434 ' N ' HD21 ' J' ' 17' ' ' LEU . 3.9 mm? -68.75 -44.73 73.13 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.113 179.594 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 66.6 t -64.43 -44.34 97.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.333 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 19' ' ' CYS . . . . . . . . . . . . . 79.5 m -74.91 -19.27 60.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.188 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.9 -106.74 1.8 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 121.057 -0.592 . . . . 0.0 113.143 179.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 21' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -113.34 13.23 19.01 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.952 0.406 . . . . 0.0 111.102 -179.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 22' ' ' ARG . . . . . . . . . . . . . 67.0 mtp180 -76.98 -74.5 0.24 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.627 178.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 23' ' ' GLY . . . . . 0.473 ' CA ' ' HD2' ' L' ' 28' ' ' PRO . . . 139.86 -175.99 21.49 Favored Glycine 0 N--CA 1.444 -0.784 0 N-CA-C 111.39 -0.684 . . . . 0.0 111.39 179.732 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' J' J ' 24' ' ' PHE . . . . . 0.456 ' CZ ' ' HB ' ' J' ' 12' ' ' VAL . 2.3 p90 -161.16 170.72 19.8 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.153 0.501 . . . . 0.0 110.67 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' J' J ' 25' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -129.15 136.39 50.12 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 178.045 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 26' ' ' TYR . . . . . 0.456 ' OH ' ' HA ' ' I' ' 3' ' ' VAL . 3.2 t80 -140.77 106.41 5.11 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.095 -0.642 . . . . 0.0 111.277 -178.054 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' J' J ' 27' ' ' THR . . . . . 0.572 ' HB ' ' HG2' ' J' ' 29' ' ' LYS . 15.8 p -126.75 101.48 26.7 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.306 179.112 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' J' J ' 28' ' ' PRO . . . . . 0.672 ' HA ' HG23 ' I' ' 3' ' ' VAL . 45.5 Cg_endo -70.06 -3.63 12.6 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.809 2.339 . . . . 0.0 112.771 -179.386 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' J' J ' 29' ' ' LYS . . . . . 0.572 ' HG2' ' HB ' ' J' ' 27' ' ' THR . 0.0 OUTLIER -66.05 169.57 6.73 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.941 179.391 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' J' J ' 30' ' ' THR . . . . . . . . . . . . . 13.9 m . . . . . 0 C--O 1.248 0.985 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 178.488 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.275 0 N-CA-C 110.769 -0.932 . . . . 0.0 110.769 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' K' K ' 2' ' ' ILE . . . . . . . . . . . . . 7.4 tt -160.81 -45.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-N 116.613 0.207 . . . . 0.0 111.212 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' K' K ' 3' ' ' VAL . . . . . 0.688 HG23 ' HA ' ' L' ' 28' ' ' PRO . 19.6 t -51.31 -49.11 31.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.08 -0.509 . . . . 0.0 112.062 -179.118 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' K' K ' 4' ' ' GLU . . . . . 0.699 ' HB2' HE21 ' L' ' 4' ' ' GLN . 33.7 tt0 -99.56 -45.42 5.81 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 179.304 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' K' K ' 5' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -44.92 -52.47 8.66 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' K' K ' 6' ' ' CYS . . . . . 0.54 ' O ' ' HA ' ' K' ' 10' ' ' ILE . 85.1 m -81.22 -15.18 56.41 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -177.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' K' K ' 7' ' ' CYS . . . . . . . . . . . . . 46.2 t -97.05 -22.9 16.53 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.508 -0.477 . . . . 0.0 111.428 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' K' K ' 8' ' ' THR . . . . . 0.821 HG21 ' H ' ' K' ' 9' ' ' SER . 9.8 t -80.08 -67.22 0.79 Allowed 'General case' 0 C--O 1.235 0.298 0 O-C-N 121.568 -0.708 . . . . 0.0 111.621 -179.345 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' K' K ' 9' ' ' SER . . . . . 0.821 ' H ' HG21 ' K' ' 8' ' ' THR . 16.9 m -105.5 -4.55 21.15 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.687 0.28 . . . . 0.0 111.295 -179.192 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' K' K ' 10' ' ' ILE . . . . . 0.818 HD12 ' HB3' ' H' ' 5' ' ' HIS . 33.4 mt 76.53 137.37 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 CA-C-N 115.416 -0.811 . . . . 0.0 112.487 179.045 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' K' K ' 11' ' ' CYS . . . . . 0.697 ' HB2' HD22 ' K' ' 16' ' ' LEU . 80.3 m -100.11 140.89 33.69 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.107 179.242 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' K' K ' 12' ' ' SER . . . . . . . . . . . . . 22.4 m -71.0 166.74 20.67 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 178.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' K' K ' 13' ' ' LEU . . . . . . . . . . . . . 7.6 tt -55.13 -46.74 75.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.633 0.254 . . . . 0.0 110.624 -179.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 13.7 m-30 -63.25 -30.56 71.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.864 0.364 . . . . 0.0 111.48 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -72.7 -39.34 67.09 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.1 179.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' K' K ' 16' ' ' LEU . . . . . 0.697 HD22 ' HB2' ' K' ' 11' ' ' CYS . 96.0 mt -63.84 -32.35 73.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.258 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' K' K ' 17' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -62.27 -18.59 61.68 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.63 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' K' K ' 18' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -76.92 -9.88 58.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.916 0.389 . . . . 0.0 110.721 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' K' K ' 19' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -122.54 30.01 6.68 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.47 0.653 . . . . 0.0 109.768 -179.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' K' K ' 20' ' ' CYS . . . . . . . . . . . . . 46.0 t -103.63 176.22 5.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.398 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' K' K ' 21' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.463 -0.78 . . . . 0.0 110.189 179.764 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' L' L ' 1' ' ' PHE . . . . . 0.423 ' N ' ' HA ' ' C' ' 8' ' ' THR . 18.7 p90 . . . . . 0 N--CA 1.48 1.066 0 N-CA-C 111.32 0.119 . . . . 0.0 111.32 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' L' L ' 2' ' ' VAL . . . . . 0.553 HG22 ' HA ' ' C' ' 9' ' ' SER . 21.5 t -79.48 75.31 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.103 0 CA-C-O 121.683 0.754 . . . . 0.0 109.393 179.317 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' L' L ' 3' ' ' ASN . . . . . 0.766 ' HB3' ' HB3' ' L' ' 7' ' ' CYS . 78.8 m-20 -77.25 -0.5 25.56 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.629 -178.742 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' L' L ' 4' ' ' GLN . . . . . 0.699 HE21 ' HB2' ' K' ' 4' ' ' GLU . 83.5 mt-30 -66.23 -35.5 80.6 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.264 0.554 . . . . 0.0 110.466 179.402 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' L' L ' 5' ' ' HIS . . . . . 0.793 ' HB3' HD12 ' C' ' 10' ' ' ILE . 73.1 t60 -98.5 -7.59 28.15 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.729 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' L' L ' 6' ' ' LEU . . . . . 0.566 ' HB2' ' HA ' ' L' ' 3' ' ' ASN . 75.3 mt -101.81 -76.3 0.57 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.828 179.325 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' L' L ' 7' ' ' CYS . . . . . 0.766 ' HB3' ' HB3' ' L' ' 3' ' ' ASN . 0.0 OUTLIER -64.26 -33.37 75.67 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.388 178.717 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' L' L ' 8' ' ' GLY . . . . . 0.746 ' HA2' ' HG ' ' L' ' 11' ' ' LEU . . . -56.48 -30.47 58.82 Favored Glycine 0 C--N 1.336 0.539 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.213 178.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' L' L ' 9' ' ' SER . . . . . 0.502 ' HB3' ' HG3' ' J' ' 13' ' ' GLU . 13.3 m -69.56 -7.27 37.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.055 0.455 . . . . 0.0 111.087 179.36 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' L' L ' 10' ' ' HIS . . . . . . . . . . . . . 86.5 m-70 -114.11 -7.88 13.03 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 120.942 0.401 . . . . 0.0 110.775 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' L' L ' 11' ' ' LEU . . . . . 0.746 ' HG ' ' HA2' ' L' ' 8' ' ' GLY . 71.4 mt -66.41 -34.09 77.18 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 107.479 -1.304 . . . . 0.0 107.479 177.433 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' L' L ' 12' ' ' VAL . . . . . 0.664 HG22 HG22 ' J' ' 12' ' ' VAL . 3.0 m -67.37 -31.86 54.76 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.327 0 CA-C-N 114.528 -1.214 . . . . 0.0 110.86 178.255 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' L' L ' 13' ' ' GLU . . . . . 0.536 ' HG3' ' HB3' ' J' ' 9' ' ' SER . 41.9 tt0 -62.75 -38.73 91.72 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 179.655 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' L' L ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.98 -46.19 62.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.05 178.012 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' L' L ' 15' ' ' LEU . . . . . 0.507 HD22 ' HB3' ' K' ' 16' ' ' LEU . 59.6 mt -58.55 -41.95 86.77 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.626 0.727 . . . . 0.0 109.854 178.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' L' L ' 16' ' ' TYR . . . . . 0.531 ' HB2' ' O ' ' L' ' 12' ' ' VAL . 1.5 t80 -53.64 -45.08 70.07 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.496 -1.229 . . . . 0.0 111.113 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' L' L ' 17' ' ' LEU . . . . . 0.417 ' N ' HD21 ' L' ' 17' ' ' LEU . 3.9 mm? -69.44 -43.98 72.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.012 179.676 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 64.8 t -65.29 -44.42 94.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.113 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' L' L ' 19' ' ' CYS . . . . . . . . . . . . . 84.4 m -73.99 -19.59 60.61 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.252 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' L' L ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.9 -108.13 2.33 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.917 179.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' L' L ' 21' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -111.71 11.96 21.05 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.767 0.318 . . . . 0.0 111.283 -179.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' L' L ' 22' ' ' ARG . . . . . . . . . . . . . 66.9 mtp180 -76.09 -73.55 0.27 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.985 179.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' L' L ' 23' ' ' GLY . . . . . 0.477 ' CA ' ' HD2' ' J' ' 28' ' ' PRO . . . 138.92 -176.57 20.83 Favored Glycine 0 N--CA 1.444 -0.809 0 N-CA-C 111.552 -0.619 . . . . 0.0 111.552 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' L' L ' 24' ' ' PHE . . . . . 0.449 ' CZ ' ' HB ' ' L' ' 12' ' ' VAL . 2.4 p90 -160.76 170.92 19.78 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.901 0.381 . . . . 0.0 110.787 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' L' L ' 25' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -129.28 135.77 49.2 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 178.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' L' L ' 26' ' ' TYR . . . . . 0.456 ' OH ' ' HA ' ' K' ' 3' ' ' VAL . 3.2 t80 -140.33 106.6 5.25 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.207 -0.597 . . . . 0.0 111.48 -178.006 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' L' L ' 27' ' ' THR . . . . . 0.57 ' HB ' ' HG2' ' L' ' 29' ' ' LYS . 14.8 p -127.03 101.38 25.94 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.317 179.18 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' L' L ' 28' ' ' PRO . . . . . 0.688 ' HA ' HG23 ' K' ' 3' ' ' VAL . 49.1 Cg_endo -70.29 -2.74 11.05 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 122.828 2.352 . . . . 0.0 112.618 -179.507 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' L' L ' 29' ' ' LYS . . . . . 0.57 ' HG2' ' HB ' ' L' ' 27' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.066 179.496 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.387 0 N-CA-C 111.66 -0.576 . . . . 0.0 111.66 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.8 tt -142.18 -35.85 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.76 0.314 . . . . 0.0 111.111 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.594 HG12 ' HA ' ' B' ' 28' ' ' PRO . 29.5 m -63.0 -36.45 75.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 -179.23 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -83.4 -2.51 55.97 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.251 0.548 . . . . 0.0 111.516 -179.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.434 ' HG2' ' SG ' ' A' ' 11' ' ' CYS . 36.9 tt0 -108.28 -39.89 5.33 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.176 0.512 . . . . 0.0 110.695 179.665 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 72.9 m -90.08 -34.46 15.91 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -178.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.625 ' HB2' HD13 ' B' ' 11' ' ' LEU . 15.0 t -91.43 26.97 2.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.059 0.457 . . . . 0.0 111.34 -179.282 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.1 p -126.97 -64.2 1.02 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.0 0.428 . . . . 0.0 110.667 179.1 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.6 m -124.93 12.19 8.39 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.291 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 mp 70.35 140.28 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-O 121.644 0.735 . . . . 0.0 110.908 -179.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.434 ' SG ' ' HG2' ' A' ' 5' ' ' GLN . 92.6 m -93.86 147.91 22.63 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.779 -178.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.4 t -76.4 162.58 27.75 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.278 178.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.8 tt -56.32 -44.04 79.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.931 0.396 . . . . 0.0 110.582 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 -67.2 -32.87 74.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.052 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.503 ' HA ' ' ND2' ' A' ' 18' ' ' ASN . 86.6 mt-30 -70.41 -39.79 74.27 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 178.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 94.0 mt -63.83 -38.56 91.55 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.71 179.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -65.39 -21.48 66.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.433 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.503 ' ND2' ' HA ' ' A' ' 15' ' ' GLN . 86.4 m-20 -66.23 -31.5 72.35 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.168 0.509 . . . . 0.0 109.761 178.726 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -93.48 -10.93 33.3 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.508 179.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.582 ' HA ' ' HB3' ' B' ' 24' ' ' PHE . 23.1 t -77.14 161.17 28.44 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.634 -179.686 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.243 0.749 0 CA-C-O 118.498 -0.763 . . . . 0.0 110.16 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 35.5 t80 . . . . . 0 N--CA 1.478 0.94 0 CA-C-O 120.745 0.307 . . . . 0.0 110.329 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . 0.448 HG23 ' H ' ' B' ' 3' ' ' ASN . 4.4 p -73.1 -175.97 0.19 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 109.849 179.674 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . 0.46 ' O ' ' HB3' ' B' ' 7' ' ' CYS . 25.6 t-20 73.67 -73.7 0.09 Allowed 'General case' 0 C--O 1.212 -0.904 0 C-N-CA 123.055 0.542 . . . . 0.0 109.792 -179.592 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -57.75 -44.5 86.13 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.729 0.3 . . . . 0.0 111.429 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -70.15 -9.32 55.26 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.858 -179.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.41 ' HA ' HD21 ' B' ' 6' ' ' LEU . 30.2 mt -112.77 -31.11 6.84 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.725 0.774 . . . . 0.0 110.025 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . 0.46 ' HB3' ' O ' ' B' ' 3' ' ' ASN . 0.0 OUTLIER -74.88 -41.68 59.33 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.631 -1.168 . . . . 0.0 110.616 -179.476 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . 0.57 ' HA2' ' HG ' ' B' ' 11' ' ' LEU . . . -60.55 -26.84 65.12 Favored Glycine 0 C--N 1.332 0.346 0 C-N-CA 121.007 -0.616 . . . . 0.0 111.773 179.284 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' SER . . . . . 0.495 ' O ' ' HG2' ' D' ' 13' ' ' GLU . 8.6 m -64.33 -19.12 65.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.973 0.416 . . . . 0.0 111.032 179.589 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . 0.467 ' HA ' ' HG3' ' B' ' 13' ' ' GLU . 98.8 m-70 -108.38 -15.32 14.49 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.737 0.303 . . . . 0.0 111.378 -179.094 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.625 HD13 ' HB2' ' A' ' 7' ' ' CYS . 36.1 mt -68.18 -34.27 75.98 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 177.803 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.892 HG22 HG22 ' D' ' 12' ' ' VAL . 2.1 m -68.02 -28.62 41.84 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 CA-C-N 114.924 -1.034 . . . . 0.0 112.133 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.491 ' HG2' ' O ' ' D' ' 9' ' ' SER . 27.0 mt-10 -61.09 -53.52 56.03 Favored 'General case' 0 CA--C 1.519 -0.232 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 179.444 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.05 -27.61 64.79 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.21 -0.904 . . . . 0.0 110.668 179.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.644 ' HB2' ' HA ' ' B' ' 12' ' ' VAL . 1.7 mt -56.34 -60.33 3.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.63 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . 0.8 ' HB3' ' HE2' ' B' ' 24' ' ' PHE . 0.9 OUTLIER -76.34 -15.62 59.93 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 119.908 -0.717 . . . . 0.0 110.613 -179.324 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 9.0 tt -67.19 -42.08 84.77 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 178.073 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 53.9 t -68.55 -35.97 72.63 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.446 178.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . 1.043 ' HB3' ' HB2' ' B' ' 22' ' ' ARG . 74.4 m -73.81 -16.59 61.14 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.236 -0.893 . . . . 0.0 111.683 179.724 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.95 -96.1 0.85 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.994 -0.622 . . . . 0.0 111.72 -179.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -108.78 2.9 22.02 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.89 0.376 . . . . 0.0 110.231 178.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . 1.043 ' HB2' ' HB3' ' B' ' 19' ' ' CYS . 76.2 mtt180 -79.39 163.72 24.59 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.277 178.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . 0.769 ' HA3' HG21 ' D' ' 27' ' ' THR . . . -108.78 -162.19 20.28 Favored Glycine 0 N--CA 1.442 -0.923 0 N-CA-C 110.423 -1.071 . . . . 0.0 110.423 177.65 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . 0.8 ' HE2' ' HB3' ' B' ' 16' ' ' TYR . 5.1 p90 -172.48 170.51 4.9 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 117.427 0.613 . . . . 0.0 111.557 179.372 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -115.04 111.14 20.64 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 177.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 81.9 t80 -110.68 118.69 36.87 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.059 -177.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' THR . . . . . 0.798 HG21 ' HA3' ' D' ' 23' ' ' GLY . 3.1 p -123.47 96.63 43.49 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-O 121.241 0.543 . . . . 0.0 110.584 179.654 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . 0.594 ' HA ' HG12 ' A' ' 3' ' ' VAL . 85.5 Cg_endo -84.56 45.58 1.73 Allowed 'Trans proline' 0 C--O 1.238 0.522 0 C-N-CA 123.18 2.586 . . . . 0.0 113.311 -179.151 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -91.65 135.3 33.98 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.055 0.455 . . . . 0.0 110.475 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 19.6 m . . . . . 0 C--O 1.251 1.181 0 CA-C-O 118.143 -0.932 . . . . 0.0 109.024 179.824 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.525 0 N-CA-C 111.722 -0.551 . . . . 0.0 111.722 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 7.2 tt -140.7 -36.89 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.741 0.305 . . . . 0.0 111.078 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 3' ' ' VAL . . . . . 0.617 HG12 ' HA ' ' D' ' 28' ' ' PRO . 23.4 m -60.68 -38.98 80.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -179.348 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -81.48 -2.93 51.54 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.116 0.484 . . . . 0.0 111.626 -179.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 5' ' ' GLN . . . . . 0.413 ' HG2' ' SG ' ' C' ' 11' ' ' CYS . 36.9 tt0 -107.91 -39.67 5.48 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.127 0.489 . . . . 0.0 110.666 179.727 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 72.7 m -90.57 -34.22 15.59 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -178.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 7' ' ' CYS . . . . . 0.618 ' HB2' HD13 ' D' ' 11' ' ' LEU . 13.4 t -91.3 27.18 1.99 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.054 0.454 . . . . 0.0 111.257 -179.416 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 11.0 p -127.48 -64.33 0.99 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.999 0.428 . . . . 0.0 110.862 178.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 9' ' ' SER . . . . . 0.422 ' O ' ' HB ' ' C' ' 10' ' ' ILE . 45.5 m -124.23 10.23 8.66 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.213 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . 0.422 ' HB ' ' O ' ' C' ' 9' ' ' SER . 2.3 mp 72.66 140.97 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-O 121.352 0.596 . . . . 0.0 110.556 -179.68 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 11' ' ' CYS . . . . . 0.413 ' SG ' ' HG2' ' C' ' 5' ' ' GLN . 86.4 m -94.84 148.09 22.67 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.794 -0.639 . . . . 0.0 112.06 -178.796 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 29.1 t -76.34 161.48 28.68 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.566 178.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 9.6 tt -55.22 -44.68 75.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.888 0.375 . . . . 0.0 110.74 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -66.92 -32.75 74.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.23 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . 0.531 ' HA ' ' ND2' ' C' ' 18' ' ' ASN . 88.3 mt-30 -70.55 -39.94 73.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.11 0.481 . . . . 0.0 109.778 178.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 94.0 mt -63.83 -37.75 88.54 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.873 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -66.77 -19.93 65.85 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.694 -0.23 . . . . 0.0 111.316 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 18' ' ' ASN . . . . . 0.531 ' ND2' ' HA ' ' C' ' 15' ' ' GLN . 85.2 m-20 -66.92 -31.75 72.54 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 121.243 0.544 . . . . 0.0 109.719 178.552 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -93.28 -10.77 34.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.641 179.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 20' ' ' CYS . . . . . 0.576 ' HA ' ' HB3' ' D' ' 24' ' ' PHE . 24.6 t -77.52 160.6 28.52 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.115 -0.948 . . . . 0.0 110.717 -179.753 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 21' ' ' ASN . . . . . 0.41 HD21 ' HA ' ' C' ' 21' ' ' ASN . 0.8 OUTLIER . . . . . 0 C--O 1.243 0.72 0 CA-C-O 118.372 -0.823 . . . . 0.0 110.588 -179.573 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 39.6 t80 . . . . . 0 N--CA 1.48 1.033 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' D' D ' 2' ' ' VAL . . . . . 0.487 HG23 ' H ' ' D' ' 3' ' ' ASN . 4.9 p -73.19 -176.36 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 179.593 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 3' ' ' ASN . . . . . 0.487 ' H ' HG23 ' D' ' 2' ' ' VAL . 23.8 t-20 73.98 -73.59 0.1 Allowed 'General case' 0 C--O 1.211 -0.969 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 -179.695 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -57.67 -45.08 86.05 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.743 0.306 . . . . 0.0 111.576 179.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 5' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -69.86 -8.94 52.7 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 116.314 -0.403 . . . . 0.0 112.044 -179.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 29.6 mt -112.98 -31.79 6.58 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.723 0.773 . . . . 0.0 109.903 179.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 7' ' ' CYS . . . . . 0.461 ' HB3' ' O ' ' D' ' 3' ' ' ASN . 0.0 OUTLIER -74.33 -41.36 61.23 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.712 -179.534 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' D' D ' 8' ' ' GLY . . . . . 0.554 ' HA2' ' HG ' ' D' ' 11' ' ' LEU . . . -60.54 -26.82 65.08 Favored Glycine 0 C--N 1.333 0.386 0 C-N-CA 121.185 -0.531 . . . . 0.0 111.878 179.236 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 9' ' ' SER . . . . . 0.492 ' HA ' ' HE2' ' B' ' 16' ' ' TYR . 9.1 m -64.72 -19.33 65.71 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.093 0.473 . . . . 0.0 111.097 179.48 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 10' ' ' HIS . . . . . 0.477 ' HA ' ' HG3' ' D' ' 13' ' ' GLU . 98.7 m-70 -108.05 -15.47 14.51 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.427 -179.174 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 11' ' ' LEU . . . . . 0.618 HD13 ' HB2' ' C' ' 7' ' ' CYS . 35.7 mt -68.14 -34.21 75.91 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 177.768 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 12' ' ' VAL . . . . . 0.892 HG22 HG22 ' B' ' 12' ' ' VAL . 2.0 m -68.0 -28.85 42.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 115.079 -0.964 . . . . 0.0 112.118 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 13' ' ' GLU . . . . . 0.495 ' HG2' ' O ' ' B' ' 9' ' ' SER . 26.2 mt-10 -60.85 -53.72 53.94 Favored 'General case' 0 CA--C 1.52 -0.204 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 179.344 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.0 -27.42 64.68 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.615 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 15' ' ' LEU . . . . . 0.641 ' HB2' ' HA ' ' D' ' 12' ' ' VAL . 1.7 mt -56.59 -60.19 3.91 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.637 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 16' ' ' TYR . . . . . 0.809 ' HB3' ' HE2' ' D' ' 24' ' ' PHE . 0.9 OUTLIER -76.43 -15.7 59.86 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 119.973 -0.691 . . . . 0.0 110.707 -179.233 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 9.0 tt -67.19 -42.82 83.56 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 178.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 54.3 t -67.38 -36.45 76.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.428 -0.805 . . . . 0.0 109.498 178.084 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 19' ' ' CYS . . . . . 1.084 ' HB3' ' HB2' ' D' ' 22' ' ' ARG . 76.3 m -73.66 -15.81 61.23 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.687 179.776 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.39 -97.41 0.86 Allowed Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.984 -0.627 . . . . 0.0 111.771 -179.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -107.52 1.33 23.32 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.93 0.395 . . . . 0.0 110.389 178.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 22' ' ' ARG . . . . . 1.084 ' HB2' ' HB3' ' D' ' 19' ' ' CYS . 74.5 mtt180 -77.11 165.1 25.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.232 178.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 23' ' ' GLY . . . . . 0.798 ' HA3' HG21 ' B' ' 27' ' ' THR . . . -110.09 -162.02 18.75 Favored Glycine 0 N--CA 1.442 -0.935 0 N-CA-C 110.35 -1.1 . . . . 0.0 110.35 177.343 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 24' ' ' PHE . . . . . 0.809 ' HE2' ' HB3' ' D' ' 16' ' ' TYR . 5.2 p90 -172.77 169.91 4.79 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 117.28 0.54 . . . . 0.0 111.567 179.34 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 25' ' ' PHE . . . . . . . . . . . . . 7.4 p90 -114.49 110.55 20.0 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 177.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 26' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -109.65 119.69 40.17 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.919 -178.059 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 27' ' ' THR . . . . . 0.769 HG21 ' HA3' ' B' ' 23' ' ' GLY . 2.9 p -124.67 96.91 39.97 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-O 121.193 0.52 . . . . 0.0 110.343 179.622 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 28' ' ' PRO . . . . . 0.617 ' HA ' HG12 ' C' ' 3' ' ' VAL . 97.3 Cg_endo -84.43 41.16 0.95 Allowed 'Trans proline' 0 C--O 1.237 0.451 0 C-N-CA 123.393 2.728 . . . . 0.0 113.502 -178.662 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -87.48 136.79 32.8 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.826 0.346 . . . . 0.0 110.449 179.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 28.6 m . . . . . 0 C--O 1.252 1.199 0 CA-C-O 118.199 -0.905 . . . . 0.0 109.603 179.529 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.585 0 N-CA-C 111.959 -0.456 . . . . 0.0 111.959 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' E' E ' 2' ' ' ILE . . . . . . . . . . . . . 6.2 tt -142.81 -36.06 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.912 0.387 . . . . 0.0 110.992 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 3' ' ' VAL . . . . . 0.589 HG12 ' HA ' ' F' ' 28' ' ' PRO . 27.3 m -61.83 -37.57 78.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -179.312 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' E' E ' 4' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -82.46 -3.01 55.02 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.126 0.488 . . . . 0.0 111.552 -179.085 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 5' ' ' GLN . . . . . 0.429 ' HG2' ' SG ' ' E' ' 11' ' ' CYS . 37.9 tt0 -107.95 -39.2 5.6 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.335 0.588 . . . . 0.0 110.87 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' E' E ' 6' ' ' CYS . . . . . . . . . . . . . 75.2 m -91.22 -34.17 15.09 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 112.335 0.494 . . . . 0.0 112.335 -178.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 7' ' ' CYS . . . . . 0.61 ' HB2' HD13 ' F' ' 11' ' ' LEU . 14.1 t -91.29 26.59 2.17 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.081 0.467 . . . . 0.0 111.091 -179.409 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 7.1 p -127.13 -64.82 0.98 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.713 179.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 9' ' ' SER . . . . . . . . . . . . . 41.9 m -125.08 14.04 8.42 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.015 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 10' ' ' ILE . . . . . . . . . . . . . 2.2 mp 69.33 141.48 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 CA-C-O 121.595 0.712 . . . . 0.0 111.037 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 11' ' ' CYS . . . . . 0.429 ' SG ' ' HG2' ' E' ' 5' ' ' GLN . 93.6 m -95.03 146.98 23.89 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.896 -179.033 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' E' E ' 12' ' ' SER . . . . . 0.413 ' HB3' ' HG3' ' E' ' 15' ' ' GLN . 26.7 t -74.7 162.79 28.39 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.482 178.78 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 9.8 tt -57.3 -43.83 83.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.995 0.426 . . . . 0.0 110.724 179.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -67.01 -32.9 74.43 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.042 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 15' ' ' GLN . . . . . 0.562 ' HA ' ' ND2' ' E' ' 18' ' ' ASN . 86.8 mt-30 -70.24 -40.7 74.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.054 0.454 . . . . 0.0 109.932 179.045 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' E' E ' 16' ' ' LEU . . . . . . . . . . . . . 95.0 mt -62.95 -37.47 87.21 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.774 179.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 17' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -66.82 -20.48 65.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.396 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 18' ' ' ASN . . . . . 0.562 ' ND2' ' HA ' ' E' ' 15' ' ' GLN . 84.1 m-20 -66.85 -30.8 71.06 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.298 0.571 . . . . 0.0 109.779 178.472 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' E' E ' 19' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -94.44 -9.66 34.88 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.668 179.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 20' ' ' CYS . . . . . 0.585 ' HA ' ' HB3' ' F' ' 24' ' ' PHE . 24.2 t -78.4 161.06 27.42 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.675 -179.718 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' E' E ' 21' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.247 0.952 0 CA-C-O 118.503 -0.761 . . . . 0.0 110.41 -179.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 1' ' ' PHE . . . . . . . . . . . . . 38.1 t80 . . . . . 0 N--CA 1.477 0.899 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' F' F ' 2' ' ' VAL . . . . . 0.452 HG23 ' H ' ' F' ' 3' ' ' ASN . 4.3 p -73.95 -176.34 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 109.865 -0.421 . . . . 0.0 109.865 179.747 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' F' F ' 3' ' ' ASN . . . . . 0.462 ' O ' ' HB3' ' F' ' 7' ' ' CYS . 27.1 t-20 74.05 -73.76 0.09 Allowed 'General case' 0 C--O 1.212 -0.868 0 C-N-CA 122.882 0.473 . . . . 0.0 109.728 -179.708 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' F' F ' 4' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -57.45 -45.83 84.28 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.573 0.225 . . . . 0.0 111.259 179.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 5' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -69.11 -8.8 48.74 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -179.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 6' ' ' LEU . . . . . . . . . . . . . 30.4 mt -113.18 -31.14 6.72 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.698 0.761 . . . . 0.0 110.012 179.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 7' ' ' CYS . . . . . 0.462 ' HB3' ' O ' ' F' ' 3' ' ' ASN . 0.0 OUTLIER -75.09 -41.56 58.45 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.746 -1.116 . . . . 0.0 110.62 -179.509 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' F' F ' 8' ' ' GLY . . . . . 0.554 ' HA2' ' HG ' ' F' ' 11' ' ' LEU . . . -60.37 -26.58 64.33 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.996 -0.621 . . . . 0.0 111.957 179.041 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' F' F ' 9' ' ' SER . . . . . 0.493 ' HA ' ' HE2' ' H' ' 16' ' ' TYR . 9.3 m -64.72 -19.21 65.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.059 0.457 . . . . 0.0 111.042 179.566 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' F' F ' 10' ' ' HIS . . . . . 0.479 ' HA ' ' HG3' ' F' ' 13' ' ' GLU . 99.0 m-70 -108.36 -15.55 14.44 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.443 -179.144 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' F' F ' 11' ' ' LEU . . . . . 0.61 HD13 ' HB2' ' E' ' 7' ' ' CYS . 36.1 mt -67.86 -34.42 76.67 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 177.601 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' F' F ' 12' ' ' VAL . . . . . 0.899 HG22 HG22 ' H' ' 12' ' ' VAL . 1.9 m -67.82 -28.47 41.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-N 115.046 -0.979 . . . . 0.0 112.296 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' F' F ' 13' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' H' ' 9' ' ' SER . 25.7 mt-10 -61.24 -53.45 56.67 Favored 'General case' 0 CA--C 1.519 -0.236 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 179.382 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' F' F ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.13 -27.38 64.52 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.635 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 15' ' ' LEU . . . . . 0.625 ' HB2' ' HA ' ' F' ' 12' ' ' VAL . 1.6 mt -57.0 -60.3 3.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.455 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' F' F ' 16' ' ' TYR . . . . . 0.823 ' HB3' ' HE2' ' F' ' 24' ' ' PHE . 0.8 OUTLIER -76.43 -15.51 59.91 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 119.845 -0.742 . . . . 0.0 110.68 -179.337 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 9.0 tt -67.19 -42.05 84.86 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 178.109 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 53.7 t -68.14 -37.19 77.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.362 178.256 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 19' ' ' CYS . . . . . 1.124 ' HB3' ' HB2' ' F' ' 22' ' ' ARG . 74.1 m -72.7 -16.58 61.67 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.395 -0.821 . . . . 0.0 111.785 179.696 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' F' F ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.6 -95.28 0.88 Allowed Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.975 -0.631 . . . . 0.0 111.802 -179.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 21' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -110.01 2.39 19.6 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.903 0.382 . . . . 0.0 110.226 178.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 22' ' ' ARG . . . . . 1.124 ' HB2' ' HB3' ' F' ' 19' ' ' CYS . 75.6 mtt180 -77.9 164.59 25.01 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.083 178.697 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' F' F ' 23' ' ' GLY . . . . . 0.731 ' HA3' HG21 ' H' ' 27' ' ' THR . . . -110.09 -162.13 18.8 Favored Glycine 0 N--CA 1.441 -0.976 0 N-CA-C 110.192 -1.163 . . . . 0.0 110.192 177.551 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' F' F ' 24' ' ' PHE . . . . . 0.823 ' HE2' ' HB3' ' F' ' 16' ' ' TYR . 5.3 p90 -172.3 170.39 5.09 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 117.517 0.659 . . . . 0.0 111.549 179.425 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' F' F ' 25' ' ' PHE . . . . . . . . . . . . . 7.6 p90 -114.98 110.28 19.38 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 177.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 26' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -109.58 119.32 39.04 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.974 -177.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 27' ' ' THR . . . . . 0.78 HG21 ' HA3' ' H' ' 23' ' ' GLY . 3.1 p -124.21 96.65 41.6 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-O 121.114 0.483 . . . . 0.0 110.527 179.574 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' F' F ' 28' ' ' PRO . . . . . 0.589 ' HA ' HG12 ' E' ' 3' ' ' VAL . 89.8 Cg_endo -84.36 45.16 1.66 Allowed 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 123.406 2.737 . . . . 0.0 113.13 -179.276 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' F' F ' 29' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -91.56 134.69 34.45 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.86 0.362 . . . . 0.0 110.475 179.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 30' ' ' THR . . . . . . . . . . . . . 23.2 m . . . . . 0 C--O 1.25 1.128 0 CA-C-O 117.964 -1.017 . . . . 0.0 109.275 179.684 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' G' G ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.037 0 N-CA-C 112.016 -0.434 . . . . 0.0 112.016 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' G' G ' 2' ' ' ILE . . . . . . . . . . . . . 6.7 tt -138.51 -36.62 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 O-C-N 122.77 -0.253 . . . . 0.0 111.163 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' G' G ' 3' ' ' VAL . . . . . 0.608 HG12 ' HA ' ' H' ' 28' ' ' PRO . 25.4 m -60.77 -38.43 78.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -179.37 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' G' G ' 4' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -82.04 -1.99 50.27 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.944 0.402 . . . . 0.0 111.55 -179.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' G' G ' 5' ' ' GLN . . . . . 0.427 ' HG2' ' SG ' ' G' ' 11' ' ' CYS . 37.4 tt0 -108.82 -40.11 5.14 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 120.986 0.422 . . . . 0.0 110.663 179.564 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' G' G ' 6' ' ' CYS . . . . . . . . . . . . . 75.7 m -90.18 -33.98 16.0 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -178.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' G' G ' 7' ' ' CYS . . . . . 0.626 ' HB2' HD13 ' H' ' 11' ' ' LEU . 14.2 t -91.38 26.0 2.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.139 0.495 . . . . 0.0 111.472 -179.408 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' G' G ' 8' ' ' THR . . . . . . . . . . . . . 6.6 p -126.42 -63.96 1.06 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.969 0.414 . . . . 0.0 110.65 179.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' G' G ' 9' ' ' SER . . . . . . . . . . . . . 42.7 m -125.89 14.02 7.96 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.356 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' G' G ' 10' ' ' ILE . . . . . . . . . . . . . 2.2 mp 69.36 140.53 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 CA-C-O 121.697 0.761 . . . . 0.0 110.991 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' G' G ' 11' ' ' CYS . . . . . 0.427 ' SG ' ' HG2' ' G' ' 5' ' ' GLN . 94.6 m -94.56 146.85 23.83 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.831 -179.032 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' G' G ' 12' ' ' SER . . . . . . . . . . . . . 30.3 t -75.39 161.45 29.23 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.47 -0.787 . . . . 0.0 109.461 178.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' G' G ' 13' ' ' LEU . . . . . . . . . . . . . 10.0 tt -55.85 -43.97 77.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.949 0.404 . . . . 0.0 110.697 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -67.31 -32.19 72.99 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.074 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' G' G ' 15' ' ' GLN . . . . . 0.521 ' HA ' ' ND2' ' G' ' 18' ' ' ASN . 86.3 mt-30 -71.06 -39.5 72.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.895 0.379 . . . . 0.0 110.094 178.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' G' G ' 16' ' ' LEU . . . . . . . . . . . . . 94.3 mt -63.97 -38.08 89.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.676 179.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' G' G ' 17' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -65.83 -21.45 66.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.415 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' G' G ' 18' ' ' ASN . . . . . 0.521 ' ND2' ' HA ' ' G' ' 15' ' ' GLN . 83.9 m-20 -66.2 -31.99 73.15 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.339 0.59 . . . . 0.0 109.781 178.527 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' G' G ' 19' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -93.03 -10.6 35.62 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.782 179.346 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' G' G ' 20' ' ' CYS . . . . . 0.573 ' HA ' ' HB3' ' H' ' 24' ' ' PHE . 23.0 t -77.07 162.65 27.33 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.208 -0.906 . . . . 0.0 110.667 -179.803 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' G' G ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.245 0.834 0 CA-C-O 118.577 -0.725 . . . . 0.0 110.263 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' H' H ' 1' ' ' PHE . . . . . . . . . . . . . 42.5 t80 . . . . . 0 N--CA 1.479 1.009 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' H' H ' 2' ' ' VAL . . . . . 0.463 HG23 ' H ' ' H' ' 3' ' ' ASN . 4.6 p -72.68 -176.91 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 179.628 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' H' H ' 3' ' ' ASN . . . . . 0.472 ' O ' ' HB3' ' H' ' 7' ' ' CYS . 27.5 t-20 74.59 -73.57 0.09 Allowed 'General case' 0 C--O 1.213 -0.84 0 C-N-CA 123.055 0.542 . . . . 0.0 109.561 -179.553 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' H' H ' 4' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -58.14 -44.46 87.85 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.76 0.314 . . . . 0.0 111.545 179.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' H' H ' 5' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -70.13 -8.99 54.13 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -179.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' H' H ' 6' ' ' LEU . . . . . . . . . . . . . 30.0 mt -113.06 -31.7 6.58 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.67 0.747 . . . . 0.0 110.011 179.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' H' H ' 7' ' ' CYS . . . . . 0.472 ' HB3' ' O ' ' H' ' 3' ' ' ASN . 0.0 OUTLIER -74.16 -41.9 60.76 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 114.889 -1.051 . . . . 0.0 110.621 -179.528 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' H' H ' 8' ' ' GLY . . . . . 0.567 ' HA2' ' HG ' ' H' ' 11' ' ' LEU . . . -60.22 -27.17 64.83 Favored Glycine 0 C--N 1.333 0.372 0 C-N-CA 121.06 -0.591 . . . . 0.0 111.939 179.329 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' H' H ' 9' ' ' SER . . . . . 0.484 ' O ' ' HG2' ' F' ' 13' ' ' GLU . 8.9 m -64.19 -19.0 65.03 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.113 0.482 . . . . 0.0 110.897 179.592 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' H' H ' 10' ' ' HIS . . . . . 0.478 ' HA ' ' HG3' ' H' ' 13' ' ' GLU . 98.7 m-70 -108.51 -15.08 14.52 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.49 -179.232 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' H' H ' 11' ' ' LEU . . . . . 0.626 HD13 ' HB2' ' G' ' 7' ' ' CYS . 36.3 mt -68.45 -34.31 75.73 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 177.797 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' H' H ' 12' ' ' VAL . . . . . 0.899 HG22 HG22 ' F' ' 12' ' ' VAL . 2.2 m -67.51 -29.18 44.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 114.92 -1.037 . . . . 0.0 112.169 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' H' H ' 13' ' ' GLU . . . . . 0.486 ' HG2' ' O ' ' F' ' 9' ' ' SER . 25.8 mt-10 -60.62 -53.98 50.92 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-O 121.392 0.615 . . . . 0.0 109.486 179.33 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' H' H ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.83 -27.64 65.03 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.21 -0.904 . . . . 0.0 110.662 179.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' H' H ' 15' ' ' LEU . . . . . 0.623 ' HB2' ' HA ' ' H' ' 12' ' ' VAL . 1.7 mt -56.62 -60.11 4.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.753 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' H' H ' 16' ' ' TYR . . . . . 0.821 ' HB3' ' HE2' ' H' ' 24' ' ' PHE . 0.9 OUTLIER -76.46 -15.8 59.82 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 119.914 -0.715 . . . . 0.0 110.538 -179.347 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 9.0 tt -66.56 -43.62 84.52 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 177.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 54.8 t -66.65 -38.1 80.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.468 178.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' H' H ' 19' ' ' CYS . . . . . 1.02 ' HB3' ' HB2' ' H' ' 22' ' ' ARG . 74.7 m -71.68 -16.68 62.26 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.756 179.568 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' H' H ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.09 -97.38 0.93 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 121.053 -0.594 . . . . 0.0 111.626 -179.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' H' H ' 21' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -108.24 3.76 23.96 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.846 0.355 . . . . 0.0 110.447 178.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' H' H ' 22' ' ' ARG . . . . . 1.02 ' HB2' ' HB3' ' H' ' 19' ' ' CYS . 74.9 mtt180 -79.08 165.47 23.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.037 178.661 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' H' H ' 23' ' ' GLY . . . . . 0.78 ' HA3' HG21 ' F' ' 27' ' ' THR . . . -110.67 -162.27 18.18 Favored Glycine 0 N--CA 1.444 -0.807 0 N-CA-C 110.338 -1.105 . . . . 0.0 110.338 177.349 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' H' H ' 24' ' ' PHE . . . . . 0.821 ' HE2' ' HB3' ' H' ' 16' ' ' TYR . 5.1 p90 -172.42 170.34 4.99 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 117.562 0.681 . . . . 0.0 111.567 179.395 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' H' H ' 25' ' ' PHE . . . . . . . . . . . . . 6.9 p90 -114.88 110.6 19.91 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 177.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' H' H ' 26' ' ' TYR . . . . . . . . . . . . . 81.9 t80 -109.88 118.72 37.22 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.061 -177.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' H' H ' 27' ' ' THR . . . . . 0.731 HG21 ' HA3' ' F' ' 23' ' ' GLY . 3.4 p -123.14 96.49 44.5 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-O 121.058 0.456 . . . . 0.0 110.422 179.465 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' H' H ' 28' ' ' PRO . . . . . 0.608 ' HA ' HG12 ' G' ' 3' ' ' VAL . 95.0 Cg_endo -84.24 44.36 1.52 Allowed 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 123.273 2.648 . . . . 0.0 113.208 -179.24 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' H' H ' 29' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -90.79 135.86 33.44 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.879 0.371 . . . . 0.0 110.3 179.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' H' H ' 30' ' ' THR . . . . . . . . . . . . . 25.9 m . . . . . 0 C--O 1.249 1.035 0 CA-C-O 117.97 -1.014 . . . . 0.0 109.136 179.586 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' I' I ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.766 0 N-CA-C 111.485 -0.646 . . . . 0.0 111.485 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' I' I ' 2' ' ' ILE . . . . . . . . . . . . . 6.5 tt -139.88 -35.94 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.627 0.251 . . . . 0.0 111.073 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' I' I ' 3' ' ' VAL . . . . . 0.623 HG12 ' HA ' ' J' ' 28' ' ' PRO . 23.0 m -61.3 -39.08 81.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -179.278 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' I' I ' 4' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -81.06 -3.06 50.61 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.156 0.503 . . . . 0.0 111.687 -179.047 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' I' I ' 5' ' ' GLN . . . . . 0.411 ' HG2' ' SG ' ' I' ' 11' ' ' CYS . 37.9 tt0 -107.83 -40.04 5.38 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.22 0.533 . . . . 0.0 110.715 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' I' I ' 6' ' ' CYS . . . . . . . . . . . . . 74.6 m -90.29 -34.24 15.82 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -178.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' I' I ' 7' ' ' CYS . . . . . 0.609 ' HB2' HD13 ' J' ' 11' ' ' LEU . 13.7 t -91.21 26.51 2.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.192 0.52 . . . . 0.0 111.224 -179.36 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' I' I ' 8' ' ' THR . . . . . . . . . . . . . 9.7 p -126.99 -64.31 1.01 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.928 0.394 . . . . 0.0 110.594 179.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' I' I ' 9' ' ' SER . . . . . . . . . . . . . 49.8 m -125.41 13.2 8.19 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.379 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' I' I ' 10' ' ' ILE . . . . . . . . . . . . . 2.2 mp 70.18 140.62 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-O 121.662 0.744 . . . . 0.0 111.042 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' I' I ' 11' ' ' CYS . . . . . 0.411 ' SG ' ' HG2' ' I' ' 5' ' ' GLN . 87.1 m -94.51 146.07 24.35 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.926 -178.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' I' I ' 12' ' ' SER . . . . . . . . . . . . . 35.9 t -74.76 162.23 28.88 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.52 178.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' I' I ' 13' ' ' LEU . . . . . . . . . . . . . 9.8 tt -55.85 -44.49 78.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.875 0.369 . . . . 0.0 110.746 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -67.05 -31.47 72.0 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.352 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' I' I ' 15' ' ' GLN . . . . . 0.53 ' HA ' ' ND2' ' I' ' 18' ' ' ASN . 86.3 mt-30 -71.79 -39.95 69.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.002 0.429 . . . . 0.0 109.915 178.747 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' I' I ' 16' ' ' LEU . . . . . . . . . . . . . 94.7 mt -63.31 -38.34 90.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.678 179.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' I' I ' 17' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -65.83 -20.12 66.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.492 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' I' I ' 18' ' ' ASN . . . . . 0.53 ' ND2' ' HA ' ' I' ' 15' ' ' GLN . 84.9 m-20 -66.99 -32.53 73.83 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 121.284 0.564 . . . . 0.0 109.524 178.568 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' I' I ' 19' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -92.85 -10.25 37.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.82 179.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' I' I ' 20' ' ' CYS . . . . . 0.576 ' HA ' ' HB3' ' J' ' 24' ' ' PHE . 24.7 t -77.31 162.87 26.97 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.164 -0.926 . . . . 0.0 110.5 -179.633 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' I' I ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.615 -0.707 . . . . 0.0 110.466 -179.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' J' J ' 1' ' ' PHE . . . . . . . . . . . . . 39.3 t80 . . . . . 0 N--CA 1.479 1.014 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' J' J ' 2' ' ' VAL . . . . . 0.47 HG23 ' H ' ' J' ' 3' ' ' ASN . 4.3 p -73.0 -176.56 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 179.631 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' J' J ' 3' ' ' ASN . . . . . 0.476 ' O ' ' HB3' ' J' ' 7' ' ' CYS . 24.5 t-20 73.86 -73.41 0.1 Allowed 'General case' 0 C--O 1.212 -0.89 0 C-N-CA 123.053 0.541 . . . . 0.0 109.729 -179.615 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' J' J ' 4' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -57.93 -44.84 87.13 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.697 0.284 . . . . 0.0 111.49 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' J' J ' 5' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -69.88 -8.87 52.18 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.895 -179.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' J' J ' 6' ' ' LEU . . . . . . . . . . . . . 30.0 mt -113.43 -30.59 6.83 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.772 0.796 . . . . 0.0 110.029 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' J' J ' 7' ' ' CYS . . . . . 0.476 ' HB3' ' O ' ' J' ' 3' ' ' ASN . 0.0 OUTLIER -75.57 -41.24 55.22 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 114.776 -1.102 . . . . 0.0 110.655 -179.439 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' J' J ' 8' ' ' GLY . . . . . 0.604 ' HA2' ' HG ' ' J' ' 11' ' ' LEU . . . -61.07 -26.09 65.25 Favored Glycine 0 C--N 1.331 0.282 0 C-N-CA 121.055 -0.593 . . . . 0.0 111.885 179.202 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' J' J ' 9' ' ' SER . . . . . 0.498 ' O ' ' HG2' ' L' ' 13' ' ' GLU . 9.1 m -64.96 -18.94 65.7 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.072 0.463 . . . . 0.0 110.884 179.539 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' J' J ' 10' ' ' HIS . . . . . 0.472 ' HA ' ' HG3' ' J' ' 13' ' ' GLU . 99.0 m-70 -108.6 -15.21 14.48 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 120.844 -0.342 . . . . 0.0 111.513 -179.271 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' J' J ' 11' ' ' LEU . . . . . 0.609 HD13 ' HB2' ' I' ' 7' ' ' CYS . 37.8 mt -68.33 -34.01 75.33 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 177.83 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' J' J ' 12' ' ' VAL . . . . . 0.896 HG22 HG22 ' L' ' 12' ' ' VAL . 2.0 m -68.01 -28.68 42.07 Favored 'Isoleucine or valine' 0 C--O 1.232 0.147 0 CA-C-N 115.031 -0.986 . . . . 0.0 112.129 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' J' J ' 13' ' ' GLU . . . . . 0.483 ' HG2' ' O ' ' L' ' 9' ' ' SER . 26.0 mt-10 -61.0 -53.52 56.25 Favored 'General case' 0 CA--C 1.517 -0.323 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 179.342 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' J' J ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.35 -27.11 64.09 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.62 179.436 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' J' J ' 15' ' ' LEU . . . . . 0.628 ' HB2' ' HA ' ' J' ' 12' ' ' VAL . 1.7 mt -57.0 -60.46 3.55 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.598 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' J' J ' 16' ' ' TYR . . . . . 0.784 ' HB3' ' HE2' ' J' ' 24' ' ' PHE . 0.9 OUTLIER -76.26 -15.38 60.02 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 119.78 -0.768 . . . . 0.0 110.651 -179.275 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 9.1 tt -67.37 -41.92 84.26 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 178.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 53.2 t -68.57 -36.17 73.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.264 178.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' J' J ' 19' ' ' CYS . . . . . 1.091 ' HB3' ' HB2' ' J' ' 22' ' ' ARG . 75.9 m -74.07 -14.85 61.06 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.76 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' J' J ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.84 -95.48 0.72 Allowed Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 121.038 -0.601 . . . . 0.0 111.685 -179.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' J' J ' 21' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -109.34 1.76 20.27 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.856 0.36 . . . . 0.0 110.276 178.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' J' J ' 22' ' ' ARG . . . . . 1.091 ' HB2' ' HB3' ' J' ' 19' ' ' CYS . 73.2 mtt180 -77.51 164.61 25.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.225 178.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' J' J ' 23' ' ' GLY . . . . . 0.766 ' HA3' HG21 ' L' ' 27' ' ' THR . . . -109.68 -162.24 19.31 Favored Glycine 0 N--CA 1.442 -0.943 0 N-CA-C 110.251 -1.14 . . . . 0.0 110.251 177.485 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' J' J ' 24' ' ' PHE . . . . . 0.784 ' HE2' ' HB3' ' J' ' 16' ' ' TYR . 5.2 p90 -172.42 170.15 5.05 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 117.428 0.614 . . . . 0.0 111.441 179.271 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' J' J ' 25' ' ' PHE . . . . . . . . . . . . . 7.5 p90 -115.08 109.67 18.4 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 177.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' J' J ' 26' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -108.85 118.74 37.59 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.017 -177.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' J' J ' 27' ' ' THR . . . . . 0.787 HG21 ' HA3' ' L' ' 23' ' ' GLY . 2.5 p -123.54 97.4 42.2 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-O 121.114 0.483 . . . . 0.0 110.293 179.415 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' J' J ' 28' ' ' PRO . . . . . 0.623 ' HA ' HG12 ' I' ' 3' ' ' VAL . 97.2 Cg_endo -85.22 43.43 1.25 Allowed 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 123.191 2.594 . . . . 0.0 113.377 -178.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' J' J ' 29' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -89.85 135.91 33.36 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.956 0.408 . . . . 0.0 110.31 179.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' J' J ' 30' ' ' THR . . . . . . . . . . . . . 31.5 m . . . . . 0 C--O 1.251 1.16 0 CA-C-O 118.567 -0.73 . . . . 0.0 109.927 179.784 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.822 0 N-CA-C 111.721 -0.552 . . . . 0.0 111.721 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' K' K ' 2' ' ' ILE . . . . . . . . . . . . . 7.3 tt -140.45 -36.27 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.812 0.339 . . . . 0.0 111.311 -179.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' K' K ' 3' ' ' VAL . . . . . 0.601 HG12 ' HA ' ' L' ' 28' ' ' PRO . 23.8 m -61.4 -39.09 81.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 112.559 0.578 . . . . 0.0 112.559 -179.081 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' K' K ' 4' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -81.95 -0.78 45.53 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.025 0.44 . . . . 0.0 111.527 -179.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' K' K ' 5' ' ' GLN . . . . . 0.427 ' HG2' ' SG ' ' K' ' 11' ' ' CYS . 37.8 tt0 -109.69 -39.57 5.08 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 121.171 0.51 . . . . 0.0 110.383 179.782 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' K' K ' 6' ' ' CYS . . . . . . . . . . . . . 72.8 m -90.65 -34.43 15.44 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.355 -178.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' K' K ' 7' ' ' CYS . . . . . 0.608 ' HB2' HD13 ' L' ' 11' ' ' LEU . 13.3 t -91.07 26.75 2.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.183 0.516 . . . . 0.0 111.226 -179.462 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' K' K ' 8' ' ' THR . . . . . . . . . . . . . 6.8 p -126.9 -63.9 1.04 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.715 179.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' K' K ' 9' ' ' SER . . . . . . . . . . . . . 51.0 m -126.89 14.98 7.44 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.259 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' K' K ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 mp 68.85 141.0 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 CA-C-O 121.715 0.769 . . . . 0.0 111.13 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' K' K ' 11' ' ' CYS . . . . . 0.427 ' SG ' ' HG2' ' K' ' 5' ' ' GLN . 88.3 m -95.11 146.67 24.13 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.807 -178.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' K' K ' 12' ' ' SER . . . . . . . . . . . . . 45.1 t -75.35 163.46 27.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.628 178.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' K' K ' 13' ' ' LEU . . . . . . . . . . . . . 9.6 tt -56.88 -44.45 82.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.928 0.394 . . . . 0.0 110.67 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -67.33 -31.18 71.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.255 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' K' K ' 15' ' ' GLN . . . . . 0.528 ' HA ' ' ND2' ' K' ' 18' ' ' ASN . 86.4 mt-30 -71.65 -40.51 69.64 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 178.78 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' K' K ' 16' ' ' LEU . . . . . . . . . . . . . 94.5 mt -63.21 -37.63 87.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.841 179.405 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' K' K ' 17' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -66.41 -21.03 66.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.139 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' K' K ' 18' ' ' ASN . . . . . 0.528 ' ND2' ' HA ' ' K' ' 15' ' ' GLN . 85.7 m-20 -66.3 -32.38 73.75 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 178.613 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' K' K ' 19' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -92.88 -10.84 35.17 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.738 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' K' K ' 20' ' ' CYS . . . . . 0.571 ' HA ' ' HB3' ' L' ' 24' ' ' PHE . 25.2 t -77.36 161.34 28.11 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.517 -179.777 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' K' K ' 21' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.246 0.918 0 CA-C-O 118.634 -0.698 . . . . 0.0 110.57 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' L' L ' 1' ' ' PHE . . . . . . . . . . . . . 37.5 t80 . . . . . 0 N--CA 1.48 1.032 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' L' L ' 2' ' ' VAL . . . . . 0.448 HG23 ' H ' ' L' ' 3' ' ' ASN . 4.5 p -73.95 -176.28 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 179.52 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' L' L ' 3' ' ' ASN . . . . . 0.477 ' O ' ' HB3' ' L' ' 7' ' ' CYS . 24.3 t-20 74.05 -73.29 0.1 Allowed 'General case' 0 C--O 1.213 -0.838 0 C-N-CA 123.108 0.563 . . . . 0.0 109.897 -179.672 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' L' L ' 4' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -58.06 -44.59 87.58 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.847 0.356 . . . . 0.0 111.509 179.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' L' L ' 5' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -70.43 -8.8 53.72 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.749 -179.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' L' L ' 6' ' ' LEU . . . . . 0.401 ' HA ' HD21 ' L' ' 6' ' ' LEU . 29.7 mt -113.24 -30.32 6.97 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.664 0.745 . . . . 0.0 110.15 179.525 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' L' L ' 7' ' ' CYS . . . . . 0.477 ' HB3' ' O ' ' L' ' 3' ' ' ASN . 0.0 OUTLIER -75.64 -41.87 52.97 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.857 -1.065 . . . . 0.0 110.617 -179.389 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' L' L ' 8' ' ' GLY . . . . . 0.578 ' HA2' ' HG ' ' L' ' 11' ' ' LEU . . . -60.17 -27.14 64.65 Favored Glycine 0 C--N 1.331 0.299 0 C-N-CA 121.115 -0.564 . . . . 0.0 112.01 179.197 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' L' L ' 9' ' ' SER . . . . . 0.491 ' HA ' ' HE2' ' J' ' 16' ' ' TYR . 7.5 m -64.07 -19.21 65.07 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.09 0.471 . . . . 0.0 110.932 179.413 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' L' L ' 10' ' ' HIS . . . . . 0.467 ' HA ' ' HG3' ' L' ' 13' ' ' GLU . 98.7 m-70 -108.35 -15.35 14.49 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.484 -179.195 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' L' L ' 11' ' ' LEU . . . . . 0.608 HD13 ' HB2' ' K' ' 7' ' ' CYS . 38.4 mt -68.32 -34.13 75.57 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 177.76 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' L' L ' 12' ' ' VAL . . . . . 0.896 HG22 HG22 ' J' ' 12' ' ' VAL . 2.1 m -68.12 -28.69 41.91 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-N 115.06 -0.973 . . . . 0.0 112.214 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' L' L ' 13' ' ' GLU . . . . . 0.498 ' HG2' ' O ' ' J' ' 9' ' ' SER . 25.9 mt-10 -60.7 -53.69 54.35 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.283 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' L' L ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.13 -27.25 64.42 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.743 179.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' L' L ' 15' ' ' LEU . . . . . 0.618 ' HB2' ' HA ' ' L' ' 12' ' ' VAL . 1.7 mt -56.99 -60.62 3.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.496 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' L' L ' 16' ' ' TYR . . . . . 0.796 ' HB3' ' HE2' ' L' ' 24' ' ' PHE . 0.8 OUTLIER -75.91 -15.5 60.18 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 120.0 -0.68 . . . . 0.0 110.717 -179.289 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 9.1 tt -67.1 -43.32 82.81 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 178.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 53.6 t -66.75 -37.78 80.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.495 178.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' L' L ' 19' ' ' CYS . . . . . 1.084 ' HB3' ' HB2' ' L' ' 22' ' ' ARG . 74.2 m -71.74 -17.65 62.18 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.662 179.528 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' L' L ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.31 -95.44 0.96 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 121.014 -0.612 . . . . 0.0 111.606 -179.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' L' L ' 21' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -110.32 3.56 19.97 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-O 120.952 0.406 . . . . 0.0 110.319 178.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' L' L ' 22' ' ' ARG . . . . . 1.084 ' HB2' ' HB3' ' L' ' 19' ' ' CYS . 73.0 mtt180 -79.52 163.9 24.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.938 -0.573 . . . . 0.0 109.898 178.675 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' L' L ' 23' ' ' GLY . . . . . 0.787 ' HA3' HG21 ' J' ' 27' ' ' THR . . . -109.14 -162.4 19.96 Favored Glycine 0 N--CA 1.442 -0.915 0 N-CA-C 110.548 -1.021 . . . . 0.0 110.548 177.466 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' L' L ' 24' ' ' PHE . . . . . 0.796 ' HE2' ' HB3' ' L' ' 16' ' ' TYR . 5.3 p90 -171.87 170.75 5.36 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 117.477 0.638 . . . . 0.0 111.424 179.423 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' L' L ' 25' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -115.25 110.6 19.69 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 177.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' L' L ' 26' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -109.8 118.79 37.43 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.063 -177.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' L' L ' 27' ' ' THR . . . . . 0.766 HG21 ' HA3' ' J' ' 23' ' ' GLY . 4.1 p -123.64 97.09 42.39 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-O 121.265 0.555 . . . . 0.0 110.677 179.436 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' L' L ' 28' ' ' PRO . . . . . 0.601 ' HA ' HG12 ' K' ' 3' ' ' VAL . 97.6 Cg_endo -84.92 44.38 1.45 Allowed 'Trans proline' 0 C--O 1.236 0.419 0 C-N-CA 123.31 2.673 . . . . 0.0 113.297 -178.833 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' L' L ' 29' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm . . . . . 0 C--N 1.323 -0.579 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.075 179.41 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . 0.534 ' H2 ' ' C ' ' B' ' 30' ' ' THR . . . . . . . . 0 N--CA 1.478 1.48 0 N-CA-C 111.651 -0.58 . . . . 0.0 111.651 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.537 HG22 HG21 ' A' ' 3' ' ' VAL . 14.6 tt 43.18 -78.99 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 C-N-CA 125.006 1.322 . . . . 0.0 114.407 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.633 HG22 ' HB3' ' B' ' 28' ' ' PRO . 6.7 t -53.09 -78.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.074 0.464 . . . . 0.0 111.801 -179.471 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -82.84 44.77 0.94 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 122.017 0.913 . . . . 0.0 110.704 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.419 ' H ' ' C ' ' A' ' 3' ' ' VAL . 22.7 tt0 -128.72 -32.81 2.1 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 113.574 -1.648 . . . . 0.0 107.196 178.513 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.462 ' HA ' ' O ' ' A' ' 9' ' ' SER . 70.1 m -107.9 -22.18 12.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 114.335 -1.302 . . . . 0.0 111.136 -179.617 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 50.5 t -81.41 -36.82 29.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.22 0.533 . . . . 0.0 109.844 179.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.8 p -82.11 -12.89 57.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.388 179.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.475 ' HA ' HG13 ' F' ' 2' ' ' VAL . 6.0 p -167.37 110.53 0.67 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.161 -0.927 . . . . 0.0 108.946 179.761 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.598 HD12 ' HA ' ' F' ' 2' ' ' VAL . 1.8 mp -48.07 124.63 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 123.813 0.695 . . . . 0.0 111.938 -178.31 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.458 ' HB2' HD22 ' A' ' 16' ' ' LEU . 84.6 m -87.43 153.92 21.06 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.486 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.7 t -71.83 155.27 40.6 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 178.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.8 tt -56.11 -36.13 67.85 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.92 0.391 . . . . 0.0 110.444 -179.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -67.5 -34.08 76.4 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.867 179.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.433 ' HA ' ' ND2' ' A' ' 18' ' ' ASN . 84.4 mt-30 -69.93 -42.03 73.82 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 178.534 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.458 HD22 ' HB2' ' A' ' 11' ' ' CYS . 82.4 mt -67.56 -33.67 75.51 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.944 178.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -62.43 -23.18 66.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.014 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.433 ' ND2' ' HA ' ' A' ' 15' ' ' GLN . 76.9 m-20 -65.42 -20.95 66.59 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.986 0.422 . . . . 0.0 110.759 178.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.434 ' HA ' ' CZ ' ' B' ' 25' ' ' PHE . 32.5 m-85 -106.12 12.33 30.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.413 -179.729 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 48.9 t -95.88 106.18 18.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.208 -179.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.457 ' H ' ' HA ' ' B' ' 24' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--O 1.252 1.199 0 CA-C-O 118.073 -0.965 . . . . 0.0 112.416 179.091 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 5.3 t80 . . . . . 0 N--CA 1.48 1.052 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . 0.634 ' O ' ' HG ' ' B' ' 6' ' ' LEU . 18.0 m -65.98 -48.89 80.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -177.123 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . 0.562 ' N ' HG21 ' B' ' 2' ' ' VAL . 3.4 m120 -65.22 -23.87 67.19 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 121.96 -0.462 . . . . 0.0 110.52 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . 0.611 ' HG3' HG13 ' A' ' 3' ' ' VAL . 38.1 tt0 -64.28 -35.87 82.24 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.329 0.585 . . . . 0.0 110.048 178.54 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 68.4 t60 -89.59 -22.15 22.49 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.386 -179.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.634 ' HG ' ' O ' ' B' ' 2' ' ' VAL . 21.8 mt -97.1 -70.82 0.7 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.318 0.58 . . . . 0.0 110.744 -179.6 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 32.3 t -60.89 -35.36 76.45 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.053 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.97 -30.87 64.0 Favored Glycine 0 N--CA 1.45 -0.382 0 CA-C-N 116.076 -0.511 . . . . 0.0 112.95 179.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' SER . . . . . 0.424 ' HB3' ' HG2' ' D' ' 13' ' ' GLU . 15.2 m -72.51 -3.01 21.92 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.692 0.282 . . . . 0.0 111.55 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 -117.19 -11.09 10.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.766 0.317 . . . . 0.0 111.098 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.48 HD11 ' HA ' ' A' ' 3' ' ' VAL . 46.0 mt -70.2 -23.48 62.95 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 178.284 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.553 HG22 HG22 ' D' ' 12' ' ' VAL . 3.5 m -64.44 -37.89 81.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 114.803 -1.09 . . . . 0.0 111.042 178.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.464 ' O ' ' HG ' ' B' ' 17' ' ' LEU . 29.2 mt-10 -61.75 -37.83 85.7 Favored 'General case' 0 C--O 1.232 0.156 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 179.741 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.85 -47.05 85.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.051 178.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 54.7 mt -64.68 -44.7 89.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.512 0.673 . . . . 0.0 109.997 178.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . 0.42 ' HB2' ' O ' ' B' ' 12' ' ' VAL . 0.7 OUTLIER -54.11 -45.56 71.91 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.659 -1.155 . . . . 0.0 111.993 -179.033 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' B' ' 13' ' ' GLU . 75.3 mt -67.87 -33.39 74.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.132 -179.735 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 72.3 t -71.11 -44.89 74.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.002 178.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . 0.852 ' HB3' ' HB3' ' B' ' 22' ' ' ARG . 77.7 m -67.69 -52.4 38.33 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.986 -179.49 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . 0.473 ' C ' ' H ' ' B' ' 22' ' ' ARG . . . 68.29 86.39 0.09 OUTLIER Glycine 0 CA--C 1.517 0.214 0 C-N-CA 120.721 -0.752 . . . . 0.0 111.907 -179.74 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.465 ' HB2' ' O ' ' B' ' 20' ' ' GLY . 45.2 mt-10 74.99 -26.41 0.19 Allowed 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.533 0.733 . . . . 0.0 111.315 -178.695 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . 0.852 ' HB3' ' HB3' ' B' ' 19' ' ' CYS . 52.5 ttt180 -69.07 126.63 30.4 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 178.575 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . 0.727 ' HA3' ' HA ' ' D' ' 27' ' ' THR . . . -72.84 150.26 44.25 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.179 -1.01 . . . . 0.0 111.868 -179.679 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . 0.457 ' HA ' ' H ' ' A' ' 21' ' ' ASN . 3.9 p90 -123.97 166.09 16.31 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 120.989 0.423 . . . . 0.0 110.447 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . 0.434 ' CZ ' ' HA ' ' A' ' 19' ' ' TYR . 36.4 p90 -114.81 128.97 56.6 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.369 -0.975 . . . . 0.0 108.369 178.533 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -126.6 93.11 3.7 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.663 -178.363 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' THR . . . . . 0.744 ' HA ' ' HA3' ' D' ' 23' ' ' GLY . 16.9 m -126.2 106.34 24.81 Favored Pre-proline 0 C--N 1.317 -0.814 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.629 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . 0.633 ' HB3' HG22 ' A' ' 3' ' ' VAL . 6.5 Cg_exo -74.08 45.32 1.13 Allowed 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 123.505 2.803 . . . . 0.0 111.533 179.67 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.438 ' HB2' HG23 ' B' ' 27' ' ' THR . 28.4 tttp -110.99 4.77 19.81 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.161 -178.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' THR . . . . . 0.534 ' C ' ' H2 ' ' A' ' 1' ' ' GLY . 26.8 m . . . . . 0 C--O 1.247 0.937 0 CA-C-O 117.855 -1.069 . . . . 0.0 108.833 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 1' ' ' GLY . . . . . 0.532 ' H2 ' ' C ' ' D' ' 30' ' ' THR . . . . . . . . 0 N--CA 1.475 1.28 0 N-CA-C 111.796 -0.522 . . . . 0.0 111.796 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 2' ' ' ILE . . . . . 0.524 HG22 HG21 ' C' ' 3' ' ' VAL . 14.4 tt 43.33 -79.5 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 125.033 1.333 . . . . 0.0 114.241 -179.679 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 3' ' ' VAL . . . . . 0.669 HG22 ' HB3' ' D' ' 28' ' ' PRO . 5.6 t -52.2 -78.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 121.149 0.5 . . . . 0.0 111.839 -179.491 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -83.04 44.3 0.92 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 122.143 0.973 . . . . 0.0 110.662 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 5' ' ' GLN . . . . . 0.415 ' H ' ' C ' ' C' ' 3' ' ' VAL . 21.9 tt0 -128.71 -31.27 2.22 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 113.696 -1.593 . . . . 0.0 107.347 178.527 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 6' ' ' CYS . . . . . 0.462 ' HA ' ' O ' ' C' ' 9' ' ' SER . 67.0 m -109.38 -22.06 12.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.33 -1.304 . . . . 0.0 110.99 -179.717 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 7' ' ' CYS . . . . . . . . . . . . . 46.8 t -81.15 -37.43 28.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.256 0.55 . . . . 0.0 109.784 179.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 4.3 p -82.16 -12.33 58.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.55 179.37 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 9' ' ' SER . . . . . 0.498 ' HA ' HG13 ' L' ' 2' ' ' VAL . 11.9 p -167.2 110.37 0.69 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.071 179.533 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . 0.61 HD12 ' HA ' ' L' ' 2' ' ' VAL . 1.8 mp -48.07 124.61 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 123.55 0.531 . . . . 0.0 111.803 -178.42 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 11' ' ' CYS . . . . . 0.455 ' HB2' HD22 ' C' ' 16' ' ' LEU . 84.4 m -87.3 153.49 21.43 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.553 179.686 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 35.7 t -71.07 155.54 40.68 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 178.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 9.8 tt -56.36 -36.37 68.73 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.988 0.423 . . . . 0.0 110.204 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -67.3 -34.33 77.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.831 179.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -69.53 -42.45 74.65 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 178.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 16' ' ' LEU . . . . . 0.455 HD22 ' HB2' ' C' ' 11' ' ' CYS . 83.5 mt -67.49 -33.23 74.68 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.143 179.045 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -62.89 -22.89 67.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.035 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -66.4 -19.51 65.82 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.85 0.357 . . . . 0.0 110.59 179.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -107.22 12.4 28.33 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.094 0.473 . . . . 0.0 109.998 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 48.7 t -96.3 105.62 17.72 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.1 -179.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 21' ' ' ASN . . . . . 0.452 ' H ' ' HA ' ' D' ' 24' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--O 1.248 1.01 0 CA-C-O 117.945 -1.026 . . . . 0.0 112.45 179.2 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 5.3 t80 . . . . . 0 N--CA 1.477 0.901 0 CA-C-O 120.87 0.367 . . . . 0.0 111.796 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' D' D ' 2' ' ' VAL . . . . . 0.631 ' O ' ' HG ' ' D' ' 6' ' ' LEU . 18.5 m -67.04 -48.91 77.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 -177.315 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 3' ' ' ASN . . . . . 0.578 ' N ' HG21 ' D' ' 2' ' ' VAL . 3.0 m120 -65.65 -23.29 66.76 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 122.111 -0.368 . . . . 0.0 110.404 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 4' ' ' GLN . . . . . 0.614 ' HG3' HG13 ' C' ' 3' ' ' VAL . 38.1 tt0 -64.43 -35.65 81.59 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.397 0.618 . . . . 0.0 110.053 178.543 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 5' ' ' HIS . . . . . . . . . . . . . 69.0 t60 -90.2 -21.92 21.93 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.442 -179.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 6' ' ' LEU . . . . . 0.631 ' HG ' ' O ' ' D' ' 2' ' ' VAL . 23.2 mt -96.9 -70.49 0.72 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.249 0.547 . . . . 0.0 110.761 -179.62 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 7' ' ' CYS . . . . . . . . . . . . . 28.6 t -61.25 -34.95 75.99 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.316 -0.856 . . . . 0.0 111.175 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 8' ' ' GLY . . . . . . . . . . . . . . . -58.4 -31.27 66.09 Favored Glycine 0 C--N 1.329 0.193 0 CA-C-N 116.14 -0.482 . . . . 0.0 112.811 179.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 9' ' ' SER . . . . . 0.413 ' HB3' ' HG2' ' B' ' 13' ' ' GLU . 15.1 m -71.82 -3.47 22.41 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.754 0.311 . . . . 0.0 111.507 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 10' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 -116.74 -11.16 10.98 Favored 'General case' 0 CA--C 1.517 -0.309 0 O-C-N 122.115 -0.365 . . . . 0.0 111.33 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 11' ' ' LEU . . . . . 0.48 HD11 ' HA ' ' C' ' 3' ' ' VAL . 44.0 mt -70.12 -23.41 63.02 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 178.2 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 12' ' ' VAL . . . . . 0.553 HG22 HG22 ' B' ' 12' ' ' VAL . 3.4 m -64.72 -37.72 80.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 114.781 -1.099 . . . . 0.0 110.959 178.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 13' ' ' GLU . . . . . 0.445 ' O ' ' HG ' ' D' ' 17' ' ' LEU . 29.3 mt-10 -61.76 -38.02 86.45 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 179.749 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.8 -46.49 87.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.011 178.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 55.3 mt -65.16 -44.59 88.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.583 0.706 . . . . 0.0 110.05 178.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 16' ' ' TYR . . . . . 0.428 ' HB2' ' O ' ' D' ' 12' ' ' VAL . 0.8 OUTLIER -53.93 -46.24 71.45 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.515 -1.221 . . . . 0.0 111.84 -179.13 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' D' ' 13' ' ' GLU . 77.2 mt -67.77 -31.66 71.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.234 -179.539 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 69.0 t -73.28 -44.49 55.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.375 0.607 . . . . 0.0 109.771 179.188 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 19' ' ' CYS . . . . . 0.866 ' HB3' ' HB3' ' D' ' 22' ' ' ARG . 78.1 m -67.7 -52.44 37.75 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.797 -179.687 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 20' ' ' GLY . . . . . 0.474 ' C ' ' H ' ' D' ' 22' ' ' ARG . . . 68.15 86.18 0.1 OUTLIER Glycine 0 CA--C 1.518 0.278 0 C-N-CA 120.719 -0.753 . . . . 0.0 111.928 -179.754 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 21' ' ' GLU . . . . . 0.465 ' HB2' ' O ' ' D' ' 20' ' ' GLY . 44.3 mt-10 75.87 -27.78 0.18 Allowed 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.522 0.729 . . . . 0.0 111.008 -178.631 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 22' ' ' ARG . . . . . 0.866 ' HB3' ' HB3' ' D' ' 19' ' ' CYS . 52.4 ttt180 -68.23 125.78 27.48 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 178.679 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 23' ' ' GLY . . . . . 0.744 ' HA3' ' HA ' ' B' ' 27' ' ' THR . . . -72.03 150.69 46.25 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.144 -1.027 . . . . 0.0 111.791 -179.704 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 24' ' ' PHE . . . . . 0.452 ' HA ' ' H ' ' C' ' 21' ' ' ASN . 3.7 p90 -124.23 166.06 16.53 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 120.959 0.409 . . . . 0.0 110.511 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 25' ' ' PHE . . . . . . . . . . . . . 37.1 p90 -115.06 128.17 56.07 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 178.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 26' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -126.12 92.46 3.59 Favored 'General case' 0 C--N 1.319 -0.732 0 C-N-CA 120.257 -0.577 . . . . 0.0 110.724 -178.186 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 27' ' ' THR . . . . . 0.727 ' HA ' ' HA3' ' B' ' 23' ' ' GLY . 23.3 m -125.7 106.39 26.45 Favored Pre-proline 0 C--N 1.32 -0.711 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.613 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 28' ' ' PRO . . . . . 0.669 ' HB3' HG22 ' C' ' 3' ' ' VAL . 6.0 Cg_exo -74.64 48.48 1.91 Allowed 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 123.412 2.741 . . . . 0.0 111.098 179.479 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 29' ' ' LYS . . . . . 0.453 ' HB2' HG23 ' D' ' 27' ' ' THR . 29.0 tttp -113.28 2.55 15.58 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.451 0.643 . . . . 0.0 109.681 -179.067 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 30' ' ' THR . . . . . 0.532 ' C ' ' H2 ' ' C' ' 1' ' ' GLY . 44.9 m . . . . . 0 C--O 1.248 0.982 0 CA-C-O 118.507 -0.759 . . . . 0.0 109.512 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 1' ' ' GLY . . . . . 0.543 ' H2 ' ' C ' ' F' ' 30' ' ' THR . . . . . . . . 0 N--CA 1.474 1.21 0 N-CA-C 111.403 -0.679 . . . . 0.0 111.403 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 2' ' ' ILE . . . . . 0.512 HG22 HG21 ' E' ' 3' ' ' VAL . 14.4 tt 42.58 -78.93 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 N-CA-C 114.617 1.34 . . . . 0.0 114.617 -179.721 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' E' E ' 3' ' ' VAL . . . . . 0.644 HG22 ' HB3' ' F' ' 28' ' ' PRO . 5.5 t -52.79 -79.14 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-O 121.133 0.492 . . . . 0.0 111.721 -179.528 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' E' E ' 4' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -82.31 44.84 0.9 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 122.197 0.999 . . . . 0.0 110.819 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 5' ' ' GLN . . . . . 0.42 ' H ' ' C ' ' E' ' 3' ' ' VAL . 22.1 tt0 -128.98 -32.26 2.08 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 113.649 -1.614 . . . . 0.0 107.162 178.4 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' E' E ' 6' ' ' CYS . . . . . 0.474 ' HA ' ' O ' ' E' ' 9' ' ' SER . 68.7 m -108.57 -22.24 12.36 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.246 -1.343 . . . . 0.0 111.264 -179.524 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' E' E ' 7' ' ' CYS . . . . . . . . . . . . . 48.3 t -81.01 -37.87 28.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.367 0.603 . . . . 0.0 109.687 179.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 4.0 p -81.03 -13.88 58.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.541 179.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 9' ' ' SER . . . . . 0.485 ' HA ' HG13 ' J' ' 2' ' ' VAL . 12.2 p -166.22 111.02 0.81 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.085 179.423 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' E' E ' 10' ' ' ILE . . . . . 0.578 HD12 ' HA ' ' J' ' 2' ' ' VAL . 1.8 mp -48.15 125.93 2.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 O-C-N 123.729 0.643 . . . . 0.0 111.639 -178.314 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' E' E ' 11' ' ' CYS . . . . . 0.452 ' HB2' HD22 ' E' ' 16' ' ' LEU . 84.8 m -89.14 153.33 21.04 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.396 179.73 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' E' E ' 12' ' ' SER . . . . . . . . . . . . . 42.7 t -70.4 154.94 41.34 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.009 -0.738 . . . . 0.0 109.009 178.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 9.9 tt -56.2 -35.58 67.43 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.002 0.429 . . . . 0.0 110.097 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -68.22 -34.62 76.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.902 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -69.42 -42.38 75.11 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 178.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 16' ' ' LEU . . . . . 0.452 HD22 ' HB2' ' E' ' 11' ' ' CYS . 81.2 mt -67.32 -33.57 75.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.997 178.771 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' E' E ' 17' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -62.43 -22.83 66.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.098 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 18' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -66.59 -19.43 65.77 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.972 0.415 . . . . 0.0 110.691 179.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 19' ' ' TYR . . . . . 0.404 ' HA ' ' CZ ' ' F' ' 25' ' ' PHE . 29.8 m-85 -106.66 11.49 30.33 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.103 0.478 . . . . 0.0 110.259 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' E' E ' 20' ' ' CYS . . . . . . . . . . . . . 48.9 t -95.35 106.36 18.41 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.205 -179.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 21' ' ' ASN . . . . . 0.451 ' H ' ' HA ' ' F' ' 24' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--O 1.248 0.978 0 CA-C-O 117.877 -1.058 . . . . 0.0 112.299 179.013 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' F' F ' 1' ' ' PHE . . . . . . . . . . . . . 5.2 t80 . . . . . 0 N--CA 1.48 1.063 0 CA-C-O 120.822 0.344 . . . . 0.0 111.684 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' F' F ' 2' ' ' VAL . . . . . 0.635 ' O ' ' HG ' ' F' ' 6' ' ' LEU . 17.6 m -66.48 -48.55 80.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 113.32 0.859 . . . . 0.0 113.32 -177.441 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' F' F ' 3' ' ' ASN . . . . . 0.559 ' N ' HG21 ' F' ' 2' ' ' VAL . 2.7 m120 -65.4 -23.23 66.91 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 122.004 -0.435 . . . . 0.0 110.665 179.711 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' F' F ' 4' ' ' GLN . . . . . 0.582 ' HG3' HG13 ' E' ' 3' ' ' VAL . 37.9 tt0 -64.62 -36.14 83.28 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.212 0.529 . . . . 0.0 110.208 178.323 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' F' F ' 5' ' ' HIS . . . . . . . . . . . . . 69.9 t60 -89.76 -22.07 22.34 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.326 -179.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 6' ' ' LEU . . . . . 0.635 ' HG ' ' O ' ' F' ' 2' ' ' VAL . 22.9 mt -96.59 -70.96 0.7 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.321 0.581 . . . . 0.0 110.717 -179.733 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' F' F ' 7' ' ' CYS . . . . . . . . . . . . . 29.1 t -60.82 -35.39 76.38 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.13 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.94 -30.87 63.93 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 121.375 -0.441 . . . . 0.0 112.913 179.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 9' ' ' SER . . . . . 0.442 ' HB3' ' HG2' ' H' ' 13' ' ' GLU . 15.3 m -72.18 -3.77 25.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.591 0.234 . . . . 0.0 111.582 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' F' F ' 10' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 -116.33 -11.22 11.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.892 0.377 . . . . 0.0 111.221 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 11' ' ' LEU . . . . . 0.481 HD11 ' HA ' ' E' ' 3' ' ' VAL . 44.6 mt -70.06 -23.39 63.08 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 178.239 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' F' F ' 12' ' ' VAL . . . . . 0.576 HG22 HG22 ' H' ' 12' ' ' VAL . 3.5 m -64.7 -38.0 81.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 114.805 -1.089 . . . . 0.0 111.075 178.705 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' F' F ' 13' ' ' GLU . . . . . 0.445 ' O ' ' HG ' ' F' ' 17' ' ' LEU . 29.2 mt-10 -61.4 -38.16 86.06 Favored 'General case' 0 CA--C 1.52 -0.204 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 179.784 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' F' F ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.86 -46.53 87.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.039 178.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 15' ' ' LEU . . . . . . . . . . . . . 56.3 mt -65.08 -44.74 87.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.684 0.754 . . . . 0.0 109.952 178.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 16' ' ' TYR . . . . . 0.428 ' HB2' ' O ' ' F' ' 12' ' ' VAL . 0.7 OUTLIER -53.75 -46.12 70.8 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.369 -1.287 . . . . 0.0 111.874 -179.105 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' F' F ' 17' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' F' ' 13' ' ' GLU . 79.3 mt -67.8 -33.31 74.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.971 -179.589 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 73.6 t -70.72 -45.53 73.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 121.053 0.454 . . . . 0.0 110.068 178.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 19' ' ' CYS . . . . . 0.875 ' HB3' ' HB3' ' F' ' 22' ' ' ARG . 75.7 m -66.81 -52.92 38.21 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.011 -179.581 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' F' F ' 20' ' ' GLY . . . . . 0.472 ' O ' ' HB2' ' F' ' 21' ' ' GLU . . . 68.64 85.38 0.11 Allowed Glycine 0 CA--C 1.52 0.355 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.022 -179.746 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' F' F ' 21' ' ' GLU . . . . . 0.472 ' HB2' ' O ' ' F' ' 20' ' ' GLY . 42.1 mt-10 76.39 -25.83 0.2 Allowed 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.588 0.755 . . . . 0.0 111.071 -178.809 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' F' F ' 22' ' ' ARG . . . . . 0.875 ' HB3' ' HB3' ' F' ' 19' ' ' CYS . 54.2 ttt180 -69.94 126.32 29.36 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 178.749 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' F' F ' 23' ' ' GLY . . . . . 0.736 ' HA3' ' HA ' ' H' ' 27' ' ' THR . . . -72.59 149.86 44.07 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.133 -1.032 . . . . 0.0 111.833 -179.587 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' F' F ' 24' ' ' PHE . . . . . 0.451 ' HA ' ' H ' ' E' ' 21' ' ' ASN . 4.0 p90 -123.49 166.86 14.68 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.005 0.431 . . . . 0.0 110.442 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' F' F ' 25' ' ' PHE . . . . . 0.404 ' CZ ' ' HA ' ' E' ' 19' ' ' TYR . 37.5 p90 -115.76 128.29 55.75 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 178.537 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' F' F ' 26' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -126.26 92.32 3.55 Favored 'General case' 0 C--N 1.318 -0.798 0 C-N-CA 120.298 -0.561 . . . . 0.0 110.844 -178.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 27' ' ' THR . . . . . 0.749 ' HA ' ' HA3' ' H' ' 23' ' ' GLY . 19.8 m -125.52 106.31 27.06 Favored Pre-proline 0 C--N 1.317 -0.833 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.515 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' F' F ' 28' ' ' PRO . . . . . 0.644 ' HB3' HG22 ' E' ' 3' ' ' VAL . 6.5 Cg_exo -74.06 44.76 1.04 Allowed 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 123.504 2.802 . . . . 0.0 111.567 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' F' F ' 29' ' ' LYS . . . . . 0.453 ' HB2' HG23 ' F' ' 27' ' ' THR . 28.1 tttp -109.9 3.54 20.68 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.166 -179.002 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' F' F ' 30' ' ' THR . . . . . 0.543 ' C ' ' H2 ' ' E' ' 1' ' ' GLY . 33.0 m . . . . . 0 C--O 1.247 0.937 0 CA-C-O 118.148 -0.93 . . . . 0.0 108.923 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' G' G ' 1' ' ' GLY . . . . . 0.579 ' H2 ' ' C ' ' H' ' 30' ' ' THR . . . . . . . . 0 N--CA 1.48 1.581 0 CA-C-O 119.96 -0.355 . . . . 0.0 112.459 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' G' G ' 2' ' ' ILE . . . . . 0.526 HG22 HG21 ' G' ' 3' ' ' VAL . 14.8 tt 43.1 -80.32 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 N-CA-C 114.376 1.25 . . . . 0.0 114.376 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' G' G ' 3' ' ' VAL . . . . . 0.658 HG22 ' HB3' ' H' ' 28' ' ' PRO . 5.9 t -51.48 -77.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-O 121.311 0.577 . . . . 0.0 111.697 -179.243 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' G' G ' 4' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -83.45 45.56 1.06 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 122.043 0.925 . . . . 0.0 110.486 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' G' G ' 5' ' ' GLN . . . . . 0.403 ' H ' ' C ' ' G' ' 3' ' ' VAL . 21.4 tt0 -130.69 -31.81 1.74 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 113.681 -1.599 . . . . 0.0 107.324 178.566 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' G' G ' 6' ' ' CYS . . . . . 0.461 ' HA ' ' O ' ' G' ' 9' ' ' SER . 72.2 m -108.76 -22.32 12.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 114.238 -1.346 . . . . 0.0 111.038 -179.578 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' G' G ' 7' ' ' CYS . . . . . . . . . . . . . 48.9 t -81.24 -37.41 28.63 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.218 0.532 . . . . 0.0 109.684 179.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' G' G ' 8' ' ' THR . . . . . . . . . . . . . 3.3 p -81.29 -13.85 58.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.516 179.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' G' G ' 9' ' ' SER . . . . . 0.485 ' HA ' HG13 ' D' ' 2' ' ' VAL . 10.8 p -166.37 110.72 0.79 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.216 -0.902 . . . . 0.0 109.002 179.574 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' G' G ' 10' ' ' ILE . . . . . 0.591 HD12 ' HA ' ' D' ' 2' ' ' VAL . 1.8 mp -48.03 124.49 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 O-C-N 123.608 0.567 . . . . 0.0 111.902 -178.086 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' G' G ' 11' ' ' CYS . . . . . 0.46 ' HB2' HD22 ' G' ' 16' ' ' LEU . 87.1 m -87.14 154.13 20.98 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.586 179.789 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' G' G ' 12' ' ' SER . . . . . . . . . . . . . 41.6 t -71.71 155.14 40.81 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 178.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' G' G ' 13' ' ' LEU . . . . . . . . . . . . . 9.9 tt -56.54 -34.7 67.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.014 0.435 . . . . 0.0 110.356 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -69.12 -33.25 73.17 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.809 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' G' G ' 15' ' ' GLN . . . . . 0.405 ' HA ' ' ND2' ' G' ' 18' ' ' ASN . 84.1 mt-30 -70.52 -42.93 70.6 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 178.508 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' G' G ' 16' ' ' LEU . . . . . 0.46 HD22 ' HB2' ' G' ' 11' ' ' CYS . 81.2 mt -67.02 -32.76 74.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.115 178.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' G' G ' 17' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -62.93 -23.58 67.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.993 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' G' G ' 18' ' ' ASN . . . . . 0.405 ' ND2' ' HA ' ' G' ' 15' ' ' GLN . 80.7 m-20 -65.39 -21.82 66.72 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.874 0.369 . . . . 0.0 110.684 179.284 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' G' G ' 19' ' ' TYR . . . . . 0.409 ' HA ' ' CZ ' ' H' ' 25' ' ' PHE . 33.2 m-85 -104.76 11.89 33.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.481 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' G' G ' 20' ' ' CYS . . . . . . . . . . . . . 48.8 t -95.61 106.14 18.2 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.281 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' G' G ' 21' ' ' ASN . . . . . 0.45 ' H ' ' HA ' ' H' ' 24' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.065 0 CA-C-O 117.9 -1.048 . . . . 0.0 112.286 179.131 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' H' H ' 1' ' ' PHE . . . . . . . . . . . . . 5.1 t80 . . . . . 0 N--CA 1.482 1.139 0 CA-C-O 120.812 0.339 . . . . 0.0 111.397 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' H' H ' 2' ' ' VAL . . . . . 0.657 ' O ' ' HG ' ' H' ' 6' ' ' LEU . 18.7 m -66.25 -48.26 81.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 -177.272 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' H' H ' 3' ' ' ASN . . . . . 0.576 ' N ' HG21 ' H' ' 2' ' ' VAL . 2.8 m120 -65.91 -22.65 66.51 Favored 'General case' 0 CA--C 1.516 -0.337 0 O-C-N 122.029 -0.42 . . . . 0.0 110.528 179.781 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' H' H ' 4' ' ' GLN . . . . . 0.632 ' HG3' HG13 ' G' ' 3' ' ' VAL . 38.6 tt0 -65.19 -35.25 80.48 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.176 0.512 . . . . 0.0 110.069 178.418 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' H' H ' 5' ' ' HIS . . . . . . . . . . . . . 70.2 t60 -90.55 -21.53 21.73 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.247 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' H' H ' 6' ' ' LEU . . . . . 0.657 ' HG ' ' O ' ' H' ' 2' ' ' VAL . 22.4 mt -97.41 -70.45 0.72 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.282 0.563 . . . . 0.0 110.736 -179.537 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' H' H ' 7' ' ' CYS . . . . . . . . . . . . . 30.5 t -61.15 -35.77 77.99 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.131 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' H' H ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.59 -31.4 63.51 Favored Glycine 0 C--N 1.331 0.254 0 CA-C-N 116.133 -0.485 . . . . 0.0 112.813 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' H' H ' 9' ' ' SER . . . . . 0.412 ' HB3' ' HG2' ' F' ' 13' ' ' GLU . 15.3 m -71.57 -3.82 23.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.725 0.298 . . . . 0.0 111.785 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' H' H ' 10' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 -116.55 -11.25 11.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.809 0.338 . . . . 0.0 111.154 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' H' H ' 11' ' ' LEU . . . . . 0.477 HD11 ' HA ' ' G' ' 3' ' ' VAL . 44.9 mt -69.94 -23.28 63.17 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 178.352 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' H' H ' 12' ' ' VAL . . . . . 0.576 HG22 HG22 ' F' ' 12' ' ' VAL . 3.6 m -64.99 -37.74 81.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 114.822 -1.081 . . . . 0.0 111.014 178.767 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' H' H ' 13' ' ' GLU . . . . . 0.458 ' O ' ' HG ' ' H' ' 17' ' ' LEU . 29.7 mt-10 -61.83 -37.9 86.15 Favored 'General case' 0 CA--C 1.522 -0.13 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' H' H ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.72 -46.66 87.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.033 178.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' H' H ' 15' ' ' LEU . . . . . . . . . . . . . 53.8 mt -65.0 -44.92 87.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.614 0.721 . . . . 0.0 109.971 178.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' H' H ' 16' ' ' TYR . . . . . 0.426 ' HB2' ' O ' ' H' ' 12' ' ' VAL . 0.7 OUTLIER -53.79 -45.78 70.84 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.47 -1.241 . . . . 0.0 111.895 -179.038 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' H' H ' 17' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' H' ' 13' ' ' GLU . 79.4 mt -68.02 -32.8 73.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.996 -179.594 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 73.3 t -71.66 -44.39 69.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.056 0.455 . . . . 0.0 110.039 179.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' H' H ' 19' ' ' CYS . . . . . 0.854 ' HB3' ' HB3' ' H' ' 22' ' ' ARG . 74.7 m -68.19 -51.63 43.55 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.014 -179.595 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' H' H ' 20' ' ' GLY . . . . . 0.468 ' C ' ' H ' ' H' ' 22' ' ' ARG . . . 67.3 86.52 0.08 OUTLIER Glycine 0 CA--C 1.52 0.358 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.052 -179.708 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' H' H ' 21' ' ' GLU . . . . . 0.463 ' HB2' ' O ' ' H' ' 20' ' ' GLY . 42.2 mt-10 75.45 -26.35 0.19 Allowed 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.623 0.769 . . . . 0.0 111.085 -178.62 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' H' H ' 22' ' ' ARG . . . . . 0.854 ' HB3' ' HB3' ' H' ' 19' ' ' CYS . 53.6 ttt180 -69.51 126.22 29.08 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 178.795 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' H' H ' 23' ' ' GLY . . . . . 0.749 ' HA3' ' HA ' ' F' ' 27' ' ' THR . . . -72.19 151.07 46.52 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.197 -1.002 . . . . 0.0 111.766 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' H' H ' 24' ' ' PHE . . . . . 0.45 ' HA ' ' H ' ' G' ' 21' ' ' ASN . 3.8 p90 -124.94 166.24 16.65 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.025 0.441 . . . . 0.0 110.325 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' H' H ' 25' ' ' PHE . . . . . 0.409 ' CZ ' ' HA ' ' G' ' 19' ' ' TYR . 37.3 p90 -115.24 128.17 55.97 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 178.532 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' H' H ' 26' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -125.88 92.18 3.54 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.854 -178.353 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' H' H ' 27' ' ' THR . . . . . 0.736 ' HA ' ' HA3' ' F' ' 23' ' ' GLY . 22.4 m -125.72 106.2 26.46 Favored Pre-proline 0 C--N 1.315 -0.908 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.505 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' H' H ' 28' ' ' PRO . . . . . 0.658 ' HB3' HG22 ' G' ' 3' ' ' VAL . 6.4 Cg_exo -74.24 46.93 1.46 Allowed 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 123.491 2.794 . . . . 0.0 111.231 179.709 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' H' H ' 29' ' ' LYS . . . . . 0.436 ' HB2' HG23 ' H' ' 27' ' ' THR . 29.4 tttp -112.29 4.63 17.83 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.04 -179.056 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' H' H ' 30' ' ' THR . . . . . 0.579 ' C ' ' H2 ' ' G' ' 1' ' ' GLY . 34.6 m . . . . . 0 C--O 1.246 0.905 0 CA-C-O 117.987 -1.006 . . . . 0.0 108.848 179.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' I' I ' 1' ' ' GLY . . . . . 0.558 ' H2 ' ' C ' ' J' ' 30' ' ' THR . . . . . . . . 0 N--CA 1.474 1.177 0 N-CA-C 111.618 -0.593 . . . . 0.0 111.618 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' I' I ' 2' ' ' ILE . . . . . 0.54 HG22 HG21 ' I' ' 3' ' ' VAL . 14.5 tt 43.51 -79.06 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 125.059 1.344 . . . . 0.0 114.233 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' I' I ' 3' ' ' VAL . . . . . 0.64 HG22 ' HB3' ' J' ' 28' ' ' PRO . 5.0 t -52.85 -78.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.3 0 CA-C-O 120.977 0.417 . . . . 0.0 111.729 -179.497 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' I' I ' 4' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -83.02 45.94 1.06 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 122.377 1.085 . . . . 0.0 110.718 179.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' I' I ' 5' ' ' GLN . . . . . 0.408 ' H ' ' C ' ' I' ' 3' ' ' VAL . 22.5 tt0 -130.05 -32.2 1.85 Allowed 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 113.462 -1.699 . . . . 0.0 107.332 178.325 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' I' I ' 6' ' ' CYS . . . . . 0.471 ' HA ' ' O ' ' I' ' 9' ' ' SER . 69.0 m -108.14 -23.17 12.08 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 114.339 -1.3 . . . . 0.0 111.074 -179.802 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' I' I ' 7' ' ' CYS . . . . . . . . . . . . . 47.1 t -80.27 -38.23 31.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.304 0.574 . . . . 0.0 109.749 179.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' I' I ' 8' ' ' THR . . . . . . . . . . . . . 3.6 p -81.01 -13.12 59.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.623 179.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' I' I ' 9' ' ' SER . . . . . 0.493 ' HA ' HG13 ' B' ' 2' ' ' VAL . 10.2 p -166.87 110.93 0.74 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.26 -0.882 . . . . 0.0 108.92 179.604 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' I' I ' 10' ' ' ILE . . . . . 0.601 HD12 ' HA ' ' B' ' 2' ' ' VAL . 1.8 mp -48.45 125.01 2.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.249 0.547 . . . . 0.0 111.749 -178.182 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' I' I ' 11' ' ' CYS . . . . . 0.462 ' HB2' HD22 ' I' ' 16' ' ' LEU . 85.2 m -87.57 153.13 21.64 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.218 179.747 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' I' I ' 12' ' ' SER . . . . . . . . . . . . . 44.4 t -70.86 155.85 40.3 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 178.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' I' I ' 13' ' ' LEU . . . . . . . . . . . . . 9.9 tt -56.63 -35.96 68.93 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.025 0.441 . . . . 0.0 110.242 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -67.89 -33.13 74.13 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.989 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' I' I ' 15' ' ' GLN . . . . . 0.424 ' HA ' ' ND2' ' I' ' 18' ' ' ASN . 83.0 mt-30 -70.83 -42.11 70.62 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 178.494 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' I' I ' 16' ' ' LEU . . . . . 0.462 HD22 ' HB2' ' I' ' 11' ' ' CYS . 80.4 mt -67.51 -33.93 76.08 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.02 178.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' I' I ' 17' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -61.87 -23.27 66.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.192 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' I' I ' 18' ' ' ASN . . . . . 0.424 ' ND2' ' HA ' ' I' ' 15' ' ' GLN . 80.0 m-20 -65.83 -21.29 66.47 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.952 0.406 . . . . 0.0 110.679 179.241 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' I' I ' 19' ' ' TYR . . . . . 0.412 ' HA ' ' CZ ' ' J' ' 25' ' ' PHE . 30.3 m-85 -105.7 12.45 31.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.402 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' I' I ' 20' ' ' CYS . . . . . . . . . . . . . 48.7 t -95.7 106.54 18.66 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.893 -179.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' I' I ' 21' ' ' ASN . . . . . 0.457 ' H ' ' HA ' ' J' ' 24' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--O 1.248 1.002 0 CA-C-O 117.957 -1.02 . . . . 0.0 112.567 179.313 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' J' J ' 1' ' ' PHE . . . . . . . . . . . . . 5.2 t80 . . . . . 0 N--CA 1.481 1.112 0 CA-C-O 120.814 0.34 . . . . 0.0 111.593 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' J' J ' 2' ' ' VAL . . . . . 0.641 ' O ' ' HG ' ' J' ' 6' ' ' LEU . 17.0 m -66.84 -48.87 78.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 113.164 0.802 . . . . 0.0 113.164 -177.372 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' J' J ' 3' ' ' ASN . . . . . 0.573 ' N ' HG21 ' J' ' 2' ' ' VAL . 2.8 m120 -65.0 -23.51 67.24 Favored 'General case' 0 C--N 1.328 -0.341 0 O-C-N 122.033 -0.417 . . . . 0.0 110.562 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' J' J ' 4' ' ' GLN . . . . . 0.592 ' HG3' HG13 ' I' ' 3' ' ' VAL . 37.5 tt0 -64.38 -36.07 82.95 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.213 0.53 . . . . 0.0 110.223 178.33 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' J' J ' 5' ' ' HIS . . . . . . . . . . . . . 69.4 t60 -89.76 -22.18 22.29 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.376 -179.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' J' J ' 6' ' ' LEU . . . . . 0.641 ' HG ' ' O ' ' J' ' 2' ' ' VAL . 21.9 mt -96.72 -70.5 0.71 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.386 0.612 . . . . 0.0 110.816 -179.582 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' J' J ' 7' ' ' CYS . . . . . . . . . . . . . 31.5 t -61.15 -35.59 77.52 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.069 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' J' J ' 8' ' ' GLY . . . . . . . . . . . . . . . -58.25 -30.39 64.25 Favored Glycine 0 N--CA 1.453 -0.217 0 CA-C-N 116.055 -0.52 . . . . 0.0 112.949 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' J' J ' 9' ' ' SER . . . . . 0.418 ' HB3' ' HG2' ' L' ' 13' ' ' GLU . 15.1 m -72.73 -2.87 22.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.705 0.288 . . . . 0.0 111.511 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' J' J ' 10' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -117.14 -11.0 10.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.809 0.338 . . . . 0.0 111.32 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' J' J ' 11' ' ' LEU . . . . . 0.471 HD11 ' HA ' ' I' ' 3' ' ' VAL . 45.5 mt -70.3 -23.78 62.91 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 178.044 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' J' J ' 12' ' ' VAL . . . . . 0.577 HG22 HG22 ' L' ' 12' ' ' VAL . 3.5 m -64.22 -37.75 80.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 114.842 -1.072 . . . . 0.0 111.082 178.707 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' J' J ' 13' ' ' GLU . . . . . 0.468 ' O ' ' HG ' ' J' ' 17' ' ' LEU . 29.2 mt-10 -61.85 -37.76 85.68 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-O 121.239 0.542 . . . . 0.0 109.54 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' J' J ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.19 -46.57 86.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.327 -0.852 . . . . 0.0 110.037 178.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' J' J ' 15' ' ' LEU . . . . . . . . . . . . . 53.5 mt -64.94 -44.56 89.07 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.557 0.694 . . . . 0.0 109.986 178.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' J' J ' 16' ' ' TYR . . . . . 0.425 ' HB2' ' O ' ' J' ' 12' ' ' VAL . 0.8 OUTLIER -53.99 -45.71 71.51 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.513 -1.221 . . . . 0.0 112.076 -178.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' J' J ' 17' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' J' ' 13' ' ' GLU . 74.8 mt -68.47 -31.97 71.64 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.056 -179.627 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 73.7 t -72.39 -43.93 63.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.211 0.529 . . . . 0.0 109.944 178.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' J' J ' 19' ' ' CYS . . . . . 0.831 ' HB3' ' HB3' ' J' ' 22' ' ' ARG . 78.2 m -68.35 -51.53 43.3 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.896 -179.587 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' J' J ' 20' ' ' GLY . . . . . 0.467 ' O ' ' HB2' ' J' ' 21' ' ' GLU . . . 67.3 86.15 0.09 OUTLIER Glycine 0 CA--C 1.518 0.245 0 C-N-CA 120.831 -0.7 . . . . 0.0 111.958 -179.74 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' J' J ' 21' ' ' GLU . . . . . 0.467 ' HB2' ' O ' ' J' ' 20' ' ' GLY . 44.2 mt-10 75.84 -27.45 0.18 Allowed 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.493 0.717 . . . . 0.0 111.069 -178.56 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' J' J ' 22' ' ' ARG . . . . . 0.831 ' HB3' ' HB3' ' J' ' 19' ' ' CYS . 52.9 ttt180 -68.57 125.86 27.84 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 178.739 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' J' J ' 23' ' ' GLY . . . . . 0.729 ' HA3' ' HA ' ' L' ' 27' ' ' THR . . . -72.08 150.58 46.0 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.186 -1.006 . . . . 0.0 111.821 -179.62 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' J' J ' 24' ' ' PHE . . . . . 0.457 ' HA ' ' H ' ' I' ' 21' ' ' ASN . 4.1 p90 -124.17 166.5 15.72 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.943 0.402 . . . . 0.0 110.483 179.789 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' J' J ' 25' ' ' PHE . . . . . 0.412 ' CZ ' ' HA ' ' I' ' 19' ' ' TYR . 37.5 p90 -115.62 127.47 55.23 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 178.536 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' J' J ' 26' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -125.57 93.33 3.82 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.158 0.504 . . . . 0.0 110.802 -178.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' J' J ' 27' ' ' THR . . . . . 0.744 ' HA ' ' HA3' ' L' ' 23' ' ' GLY . 19.8 m -126.25 105.48 24.92 Favored Pre-proline 0 C--N 1.316 -0.86 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.55 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' J' J ' 28' ' ' PRO . . . . . 0.64 ' HB3' HG22 ' I' ' 3' ' ' VAL . 6.2 Cg_exo -74.07 48.34 1.71 Allowed 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 123.405 2.737 . . . . 0.0 111.165 179.445 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' J' J ' 29' ' ' LYS . . . . . 0.454 ' HB2' HG23 ' J' ' 27' ' ' THR . 28.5 tttp -113.08 2.21 15.61 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.821 -179.183 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' J' J ' 30' ' ' THR . . . . . 0.558 ' C ' ' H2 ' ' I' ' 1' ' ' GLY . 36.9 m . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.175 -0.917 . . . . 0.0 109.137 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.143 0 N-CA-C 111.136 -0.785 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' K' K ' 2' ' ' ILE . . . . . 0.522 HG22 HG21 ' K' ' 3' ' ' VAL . 14.0 tt 41.24 -79.29 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 125.45 1.5 . . . . 0.0 114.082 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' K' K ' 3' ' ' VAL . . . . . 0.638 HG22 ' HB3' ' L' ' 28' ' ' PRO . 5.5 t -52.57 -78.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.142 0.496 . . . . 0.0 111.822 -179.554 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' K' K ' 4' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -83.27 45.12 1.0 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 122.165 0.983 . . . . 0.0 110.668 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' K' K ' 5' ' ' GLN . . . . . 0.416 ' H ' ' C ' ' K' ' 3' ' ' VAL . 22.4 tt0 -128.96 -32.56 2.06 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 113.561 -1.654 . . . . 0.0 107.095 178.507 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' K' K ' 6' ' ' CYS . . . . . 0.473 ' HA ' ' O ' ' K' ' 9' ' ' SER . 65.4 m -108.45 -21.56 12.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.255 -1.339 . . . . 0.0 111.244 -179.589 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' K' K ' 7' ' ' CYS . . . . . . . . . . . . . 50.0 t -81.79 -36.53 28.32 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.403 0.621 . . . . 0.0 109.683 179.173 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' K' K ' 8' ' ' THR . . . . . . . . . . . . . 4.4 p -82.27 -13.51 56.9 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.364 179.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' K' K ' 9' ' ' SER . . . . . 0.495 ' HA ' HG13 ' H' ' 2' ' ' VAL . 11.0 p -166.39 110.69 0.78 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.096 -0.956 . . . . 0.0 108.906 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' K' K ' 10' ' ' ILE . . . . . 0.578 HD12 ' HA ' ' H' ' 2' ' ' VAL . 1.8 mp -48.02 126.04 2.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.396 0.617 . . . . 0.0 111.421 -178.319 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' K' K ' 11' ' ' CYS . . . . . 0.451 ' HB2' HD22 ' K' ' 16' ' ' LEU . 85.4 m -89.3 152.99 21.24 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.221 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' K' K ' 12' ' ' SER . . . . . . . . . . . . . 42.7 t -70.41 155.22 40.98 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 178.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' K' K ' 13' ' ' LEU . . . . . . . . . . . . . 9.9 tt -56.38 -35.91 68.25 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.925 0.393 . . . . 0.0 110.276 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -67.96 -34.41 76.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.84 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' K' K ' 15' ' ' GLN . . . . . 0.411 ' HA ' ' ND2' ' K' ' 18' ' ' ASN . 82.4 mt-30 -68.93 -43.21 75.57 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 178.394 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' K' K ' 16' ' ' LEU . . . . . 0.451 HD22 ' HB2' ' K' ' 11' ' ' CYS . 82.7 mt -66.76 -33.3 75.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.065 178.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' K' K ' 17' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -62.52 -23.14 66.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.152 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' K' K ' 18' ' ' ASN . . . . . 0.411 ' ND2' ' HA ' ' K' ' 15' ' ' GLN . 78.8 m-20 -65.72 -21.9 66.56 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.006 0.431 . . . . 0.0 110.499 179.299 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' K' K ' 19' ' ' TYR . . . . . 0.424 ' HA ' ' CZ ' ' L' ' 25' ' ' PHE . 26.9 m-85 -104.79 12.36 32.77 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.446 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' K' K ' 20' ' ' CYS . . . . . . . . . . . . . 48.5 t -95.96 106.04 18.15 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.24 -179.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' K' K ' 21' ' ' ASN . . . . . 0.434 ' H ' ' HA ' ' L' ' 24' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--O 1.247 0.956 0 CA-C-O 117.974 -1.013 . . . . 0.0 112.427 179.167 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' L' L ' 1' ' ' PHE . . . . . . . . . . . . . 5.6 t80 . . . . . 0 N--CA 1.48 1.072 0 CA-C-O 120.771 0.319 . . . . 0.0 111.309 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' L' L ' 2' ' ' VAL . . . . . 0.661 ' O ' ' HG ' ' L' ' 6' ' ' LEU . 18.1 m -66.27 -48.51 80.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 -177.497 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' L' L ' 3' ' ' ASN . . . . . 0.565 ' N ' HG21 ' L' ' 2' ' ' VAL . 2.3 m120 -66.07 -22.62 66.43 Favored 'General case' 0 C--O 1.223 -0.292 0 O-C-N 122.046 -0.409 . . . . 0.0 110.57 179.625 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' L' L ' 4' ' ' GLN . . . . . 0.615 ' HG3' HG13 ' K' ' 3' ' ' VAL . 37.5 tt0 -65.36 -35.06 79.84 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.232 0.539 . . . . 0.0 110.073 178.417 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' L' L ' 5' ' ' HIS . . . . . . . . . . . . . 70.3 t60 -90.55 -21.82 21.59 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.314 -179.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' L' L ' 6' ' ' LEU . . . . . 0.661 ' HG ' ' O ' ' L' ' 2' ' ' VAL . 22.4 mt -96.72 -70.95 0.7 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.325 0.583 . . . . 0.0 110.669 -179.75 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' L' L ' 7' ' ' CYS . . . . . . . . . . . . . 33.3 t -60.88 -35.57 76.96 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.16 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' L' L ' 8' ' ' GLY . . . . . . . . . . . . . . . -58.22 -30.66 64.54 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 121.149 -0.548 . . . . 0.0 112.822 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' L' L ' 9' ' ' SER . . . . . 0.421 ' HB3' ' HG2' ' J' ' 13' ' ' GLU . 15.3 m -72.02 -3.79 24.92 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.683 0.278 . . . . 0.0 111.582 179.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' L' L ' 10' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 -116.32 -11.39 11.24 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 120.87 0.367 . . . . 0.0 111.291 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' L' L ' 11' ' ' LEU . . . . . 0.462 HD11 ' HA ' ' K' ' 3' ' ' VAL . 46.6 mt -70.02 -23.26 63.1 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 178.3 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' L' L ' 12' ' ' VAL . . . . . 0.577 HG22 HG22 ' J' ' 12' ' ' VAL . 3.4 m -64.71 -37.72 80.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 114.851 -1.068 . . . . 0.0 110.988 178.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' L' L ' 13' ' ' GLU . . . . . 0.452 ' O ' ' HG ' ' L' ' 17' ' ' LEU . 29.3 mt-10 -61.93 -37.72 85.74 Favored 'General case' 0 CA--C 1.52 -0.195 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 179.693 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' L' L ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.01 -46.66 86.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.021 178.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' L' L ' 15' ' ' LEU . . . . . . . . . . . . . 51.1 mt -65.12 -44.65 88.02 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.596 0.712 . . . . 0.0 110.056 178.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' L' L ' 16' ' ' TYR . . . . . 0.411 ' HB2' ' O ' ' L' ' 12' ' ' VAL . 0.7 OUTLIER -53.91 -45.61 71.21 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.476 -1.238 . . . . 0.0 112.02 -179.139 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' L' L ' 17' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' L' ' 13' ' ' GLU . 78.9 mt -67.9 -33.49 74.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.939 -179.539 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 79.4 t -70.99 -45.64 71.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.117 0.484 . . . . 0.0 109.966 178.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' L' L ' 19' ' ' CYS . . . . . 0.836 ' HB3' ' HB3' ' L' ' 22' ' ' ARG . 77.2 m -66.59 -52.62 43.41 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.88 -179.687 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' L' L ' 20' ' ' GLY . . . . . 0.488 ' O ' ' HB2' ' L' ' 21' ' ' GLU . . . 68.53 85.12 0.11 Allowed Glycine 0 C--N 1.333 0.374 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.164 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' L' L ' 21' ' ' GLU . . . . . 0.488 ' HB2' ' O ' ' L' ' 20' ' ' GLY . 41.4 mt-10 76.29 -26.32 0.19 Allowed 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.519 0.728 . . . . 0.0 111.151 -178.602 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' L' L ' 22' ' ' ARG . . . . . 0.836 ' HB3' ' HB3' ' L' ' 19' ' ' CYS . 54.3 ttt180 -69.53 126.5 29.95 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 178.71 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' L' L ' 23' ' ' GLY . . . . . 0.744 ' HA3' ' HA ' ' J' ' 27' ' ' THR . . . -72.62 151.17 45.94 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 119.958 -1.115 . . . . 0.0 111.844 -179.485 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' L' L ' 24' ' ' PHE . . . . . 0.434 ' HA ' ' H ' ' K' ' 21' ' ' ASN . 3.7 p90 -124.69 166.09 16.77 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 120.826 0.346 . . . . 0.0 110.543 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' L' L ' 25' ' ' PHE . . . . . 0.424 ' CZ ' ' HA ' ' K' ' 19' ' ' TYR . 37.5 p90 -114.9 128.62 56.4 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 178.442 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' L' L ' 26' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -126.44 93.2 3.73 Favored 'General case' 0 C--N 1.317 -0.81 0 C-N-CA 120.321 -0.552 . . . . 0.0 110.747 -178.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' L' L ' 27' ' ' THR . . . . . 0.729 ' HA ' ' HA3' ' J' ' 23' ' ' GLY . 18.8 m -126.5 106.41 23.83 Favored Pre-proline 0 C--N 1.317 -0.843 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.544 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' L' L ' 28' ' ' PRO . . . . . 0.638 ' HB3' HG22 ' K' ' 3' ' ' VAL . 5.9 Cg_exo -74.13 45.73 1.22 Allowed 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 123.531 2.82 . . . . 0.0 111.441 179.557 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' L' L ' 29' ' ' LYS . . . . . 0.451 ' HB2' HG23 ' L' ' 27' ' ' THR . 28.7 tttp . . . . . 0 C--N 1.324 -0.523 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.935 -179.02 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.257 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 11.5 tt -81.78 -36.49 14.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-O 120.698 0.285 . . . . 0.0 111.259 -178.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 96.3 t -61.77 -59.84 3.66 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 CA-C-O 120.884 0.373 . . . . 0.0 110.637 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -79.44 61.58 3.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.427 0.632 . . . . 0.0 110.757 179.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.444 ' HG2' ' SG ' ' A' ' 11' ' ' CYS . 32.2 tt0 -172.34 -43.73 0.02 OUTLIER 'General case' 0 C--N 1.312 -1.035 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.423 ' HB2' HD12 ' B' ' 11' ' ' LEU . 95.4 m -89.14 -39.55 13.51 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.745 -1.116 . . . . 0.0 111.226 179.713 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 79.8 m -91.45 18.28 7.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.25 0.548 . . . . 0.0 109.891 178.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.2 m -104.83 -45.21 4.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.44 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.2 p -156.83 21.86 0.32 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.663 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 mp 70.34 125.29 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 CA-C-N 115.476 -0.783 . . . . 0.0 111.617 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.444 ' SG ' ' HG2' ' A' ' 5' ' ' GLN . 85.9 m -81.51 145.17 30.84 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.137 179.787 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.421 ' HB2' ' HG3' ' A' ' 15' ' ' GLN . 17.3 m -73.99 152.15 40.12 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 178.387 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.93 HD12 HD12 ' G' ' 13' ' ' LEU . 7.3 tt -52.73 -48.15 66.89 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -178.361 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -65.65 -22.91 66.69 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -178.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.421 ' HG3' ' HB2' ' A' ' 12' ' ' SER . 26.3 mt-30 -75.54 -27.99 58.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.182 0.515 . . . . 0.0 110.047 178.752 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.414 ' HB3' ' CD2' ' B' ' 15' ' ' LEU . 86.1 mt -78.23 -23.94 47.19 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.34 -179.646 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -61.8 -21.93 65.02 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.832 -179.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 -81.83 -4.89 57.56 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.319 -179.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.467 ' HB2' HD23 ' B' ' 15' ' ' LEU . 18.0 m-30 -105.07 13.79 30.28 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.94 0.4 . . . . 0.0 111.365 -178.413 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 72.7 m -84.89 154.18 22.4 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.778 179.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 . . . . . 0 C--O 1.252 1.197 0 CA-C-O 118.317 -0.849 . . . . 0.0 109.438 179.58 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 26.6 t80 . . . . . 0 N--CA 1.481 1.119 0 CA-C-O 120.557 0.218 . . . . 0.0 111.077 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . 0.506 ' O ' ' HG ' ' B' ' 6' ' ' LEU . 16.8 m -68.93 -31.81 52.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -178.412 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . 0.411 ' HA ' ' HB2' ' B' ' 6' ' ' LEU . 9.5 m-20 -62.97 -19.32 64.2 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-O 121.113 0.483 . . . . 0.0 110.911 179.761 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -68.2 -17.17 64.25 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.254 0.549 . . . . 0.0 109.952 178.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -118.67 11.5 12.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.387 0.613 . . . . 0.0 109.515 179.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' B' ' 2' ' ' VAL . 55.3 mt -126.23 -64.48 1.04 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.446 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . 0.465 ' SG ' HD23 ' F' ' 6' ' ' LEU . 2.8 t -62.45 -46.45 88.47 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.719 -1.128 . . . . 0.0 109.381 178.435 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . 0.667 ' HA2' ' HG ' ' B' ' 11' ' ' LEU . . . -58.89 -30.2 65.99 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.297 178.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' SER . . . . . 0.667 ' HB3' ' HG2' ' D' ' 13' ' ' GLU . 7.7 m -71.5 -1.1 12.15 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.755 0.312 . . . . 0.0 111.365 179.656 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 70.2 m-70 -120.56 -11.21 9.11 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-O 120.803 0.335 . . . . 0.0 111.25 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.667 ' HG ' ' HA2' ' B' ' 8' ' ' GLY . 13.9 mt -69.71 -21.82 63.45 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 176.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.527 HG22 HG22 ' D' ' 12' ' ' VAL . 11.2 m -67.94 -46.33 82.16 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 CA-C-N 114.654 -1.157 . . . . 0.0 111.561 179.308 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.684 ' HG2' ' HB3' ' D' ' 9' ' ' SER . 18.9 mt-10 -63.1 -29.54 70.88 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 108.92 -0.771 . . . . 0.0 108.92 178.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . 0.624 ' HB3' ' HG ' ' H' ' 17' ' ' LEU . . . -69.39 -52.83 23.26 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.463 177.333 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.467 HD23 ' HB2' ' A' ' 19' ' ' TYR . 91.2 mt -58.05 -39.2 77.84 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.986 178.553 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . 0.474 ' CD2' ' HE2' ' B' ' 24' ' ' PHE . 0.4 OUTLIER -54.87 -37.85 66.77 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.937 -1.029 . . . . 0.0 110.745 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.626 ' HG ' ' HB3' ' H' ' 14' ' ' ALA . 4.0 mm? -80.84 -43.55 19.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.646 179.307 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 88.8 t -59.06 -48.34 87.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.522 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . 0.597 ' HB3' ' HB2' ' B' ' 22' ' ' ARG . 66.6 m -72.22 -28.36 63.12 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.877 178.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.96 -98.34 0.29 Allowed Glycine 0 N--CA 1.452 -0.297 0 CA-C-N 115.718 -0.674 . . . . 0.0 113.951 178.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -93.34 5.64 50.86 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.257 0.551 . . . . 0.0 110.761 -178.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . 0.597 ' HB2' ' HB3' ' B' ' 19' ' ' CYS . 47.4 mtt85 -103.4 174.38 5.89 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.097 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . 0.706 ' HA2' ' HD2' ' D' ' 28' ' ' PRO . . . -99.61 -171.84 30.53 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.382 -0.914 . . . . 0.0 111.22 178.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . 0.474 ' HE2' ' CD2' ' B' ' 16' ' ' TYR . 5.0 p90 -156.65 149.23 23.54 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.217 0.532 . . . . 0.0 110.252 178.731 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 8.1 p90 -114.92 116.71 28.95 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 179.206 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -105.11 120.77 42.32 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.222 -179.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' THR . . . . . 0.406 ' C ' ' H ' ' B' ' 29' ' ' LYS . 3.0 p -123.68 88.89 51.74 Favored Pre-proline 0 C--N 1.32 -0.684 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -178.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . 0.681 ' HD2' ' HA2' ' D' ' 23' ' ' GLY . 86.5 Cg_endo -83.07 13.32 2.68 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 122.906 2.404 . . . . 0.0 109.829 177.363 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.406 ' H ' ' C ' ' B' ' 27' ' ' THR . 69.8 tttt -110.74 128.9 55.91 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 114.028 -1.442 . . . . 0.0 109.339 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 11.4 t . . . . . 0 C--O 1.245 0.862 0 CA-C-O 118.628 -0.701 . . . . 0.0 109.831 179.891 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.828 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 12.4 tt -82.96 -35.81 12.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 120.925 0.393 . . . . 0.0 111.224 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 3' ' ' VAL . . . . . 0.405 HG12 ' HG3' ' D' ' 4' ' ' GLN . 93.5 t -62.65 -59.91 3.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.753 0.311 . . . . 0.0 110.778 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -79.19 61.05 3.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.6 0.714 . . . . 0.0 111.124 179.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 5' ' ' GLN . . . . . 0.459 ' HG2' ' SG ' ' C' ' 11' ' ' CYS . 32.3 tt0 -171.54 -44.27 0.02 OUTLIER 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 114.337 -1.301 . . . . 0.0 107.658 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 6' ' ' CYS . . . . . 0.407 ' HB2' HD12 ' D' ' 11' ' ' LEU . 90.9 m -88.39 -39.64 14.14 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.573 -1.194 . . . . 0.0 111.33 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 7' ' ' CYS . . . . . . . . . . . . . 80.1 m -91.08 16.01 10.52 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.153 0.501 . . . . 0.0 110.082 178.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 23.5 m -102.08 -46.59 4.81 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.497 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 5.2 p -155.79 22.88 0.39 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.684 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 mp 69.78 127.01 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 CA-C-N 115.283 -0.871 . . . . 0.0 111.384 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 11' ' ' CYS . . . . . 0.459 ' SG ' ' HG2' ' C' ' 5' ' ' GLN . 84.1 m -82.85 146.7 28.75 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.056 179.718 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 12' ' ' SER . . . . . 0.433 ' HB2' ' HG3' ' C' ' 15' ' ' GLN . 19.5 m -75.77 151.35 37.58 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 178.502 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 13' ' ' LEU . . . . . 0.939 HD12 HD12 ' I' ' 13' ' ' LEU . 7.3 tt -51.84 -48.09 64.12 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -178.333 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -65.4 -22.74 66.82 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 -179.009 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . 0.433 ' HG3' ' HB2' ' C' ' 12' ' ' SER . 26.2 mt-30 -75.73 -29.17 58.81 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.293 0.568 . . . . 0.0 109.976 178.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 16' ' ' LEU . . . . . 0.456 ' HA ' HD21 ' C' ' 16' ' ' LEU . 85.1 mt -76.62 -24.5 53.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.389 -179.668 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -60.99 -23.72 65.59 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 112.022 0.378 . . . . 0.0 112.022 -179.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 67.1 m-20 -80.61 -3.63 51.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.52 -179.206 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 19' ' ' TYR . . . . . 0.491 ' HB2' HD23 ' D' ' 15' ' ' LEU . 18.1 m-30 -105.77 13.71 29.25 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.946 0.403 . . . . 0.0 111.062 -178.571 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 76.7 m -84.79 154.8 22.13 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.962 179.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.394 -0.812 . . . . 0.0 109.381 179.476 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 25.7 t80 . . . . . 0 N--CA 1.479 0.996 0 CA-C-O 120.468 0.175 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' D' D ' 2' ' ' VAL . . . . . 0.503 ' O ' ' HG ' ' D' ' 6' ' ' LEU . 16.5 m -68.76 -32.59 55.49 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 -178.675 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 3' ' ' ASN . . . . . 0.4 ' HA ' ' HB2' ' D' ' 6' ' ' LEU . 9.8 m-20 -62.43 -18.84 62.65 Favored 'General case' 0 C--O 1.223 -0.303 0 CA-C-O 120.948 0.404 . . . . 0.0 110.802 179.661 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 4' ' ' GLN . . . . . 0.405 ' HG3' HG12 ' C' ' 3' ' ' VAL . 8.9 tt0 -68.36 -17.8 64.33 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.05 0.452 . . . . 0.0 109.806 178.49 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 5' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -117.59 10.53 13.47 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.51 0.672 . . . . 0.0 109.752 179.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 6' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' D' ' 2' ' ' VAL . 50.6 mt -125.23 -64.14 1.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.558 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 7' ' ' CYS . . . . . 0.459 ' SG ' HD23 ' L' ' 6' ' ' LEU . 3.1 t -62.22 -46.95 86.6 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.711 -1.131 . . . . 0.0 109.289 178.521 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 8' ' ' GLY . . . . . 0.678 ' HA2' ' HG ' ' D' ' 11' ' ' LEU . . . -58.94 -29.63 65.27 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.339 179.079 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 9' ' ' SER . . . . . 0.684 ' HB3' ' HG2' ' B' ' 13' ' ' GLU . 7.4 m -71.77 -1.02 12.53 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.689 0.281 . . . . 0.0 111.259 179.609 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 10' ' ' HIS . . . . . . . . . . . . . 69.7 m-70 -120.69 -11.06 9.08 Favored 'General case' 0 CA--C 1.51 -0.562 0 CA-C-O 120.801 0.334 . . . . 0.0 111.29 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 11' ' ' LEU . . . . . 0.678 ' HG ' ' HA2' ' D' ' 8' ' ' GLY . 13.9 mt -69.42 -22.2 63.7 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 107.294 -1.373 . . . . 0.0 107.294 176.698 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 12' ' ' VAL . . . . . 0.527 HG22 HG22 ' B' ' 12' ' ' VAL . 12.0 m -67.76 -46.42 82.52 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 CA-C-N 114.707 -1.133 . . . . 0.0 111.588 179.275 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 13' ' ' GLU . . . . . 0.667 ' HG2' ' HB3' ' B' ' 9' ' ' SER . 19.0 mt-10 -62.94 -29.61 70.93 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 178.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 14' ' ' ALA . . . . . 0.607 ' HB3' ' HG ' ' J' ' 17' ' ' LEU . . . -69.26 -52.61 25.92 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.477 177.36 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 15' ' ' LEU . . . . . 0.491 HD23 ' HB2' ' C' ' 19' ' ' TYR . 91.7 mt -58.36 -39.16 78.79 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.833 178.691 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 16' ' ' TYR . . . . . 0.497 ' CD2' ' HE2' ' D' ' 24' ' ' PHE . 0.4 OUTLIER -54.88 -37.98 66.96 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.982 -1.008 . . . . 0.0 110.741 179.833 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . 0.604 ' HG ' ' HB3' ' J' ' 14' ' ' ALA . 4.0 mm? -80.82 -43.82 19.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.525 179.128 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 85.2 t -58.79 -48.34 86.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.558 179.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 19' ' ' CYS . . . . . 0.623 ' HB3' ' HB2' ' D' ' 22' ' ' ARG . 71.4 m -72.32 -28.12 62.87 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.918 179.107 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.39 -99.21 0.31 Allowed Glycine 0 C--N 1.33 0.231 0 CA-C-N 115.492 -0.776 . . . . 0.0 113.78 178.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -91.56 4.26 53.04 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.293 0.568 . . . . 0.0 110.92 -178.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 22' ' ' ARG . . . . . 0.623 ' HB2' ' HB3' ' D' ' 19' ' ' CYS . 47.0 mtt85 -102.21 173.97 6.13 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.04 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 23' ' ' GLY . . . . . 0.681 ' HA2' ' HD2' ' B' ' 28' ' ' PRO . . . -99.97 -171.7 30.04 Favored Glycine 0 N--CA 1.443 -0.846 0 C-N-CA 120.394 -0.907 . . . . 0.0 111.102 178.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 24' ' ' PHE . . . . . 0.497 ' HE2' ' CD2' ' D' ' 16' ' ' TYR . 5.1 p90 -156.66 149.14 23.43 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.274 0.559 . . . . 0.0 110.351 178.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 25' ' ' PHE . . . . . . . . . . . . . 7.4 p90 -114.44 117.76 31.91 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 179.137 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 26' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -106.14 120.17 41.11 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.077 0.465 . . . . 0.0 110.089 -179.145 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 27' ' ' THR . . . . . 0.412 ' C ' ' H ' ' D' ' 29' ' ' LYS . 3.0 p -123.0 88.23 50.89 Favored Pre-proline 0 C--N 1.321 -0.648 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -178.716 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 28' ' ' PRO . . . . . 0.706 ' HD2' ' HA2' ' B' ' 23' ' ' GLY . 87.7 Cg_endo -82.15 11.36 3.18 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.615 2.21 . . . . 0.0 109.646 177.388 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 29' ' ' LYS . . . . . 0.412 ' H ' ' C ' ' D' ' 27' ' ' THR . 68.3 tttt -108.83 126.97 53.61 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.097 -1.41 . . . . 0.0 109.822 -179.737 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 12.9 t . . . . . 0 C--O 1.246 0.875 0 CA-C-O 118.655 -0.688 . . . . 0.0 109.705 179.718 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.961 0 N-CA-C 111.987 -0.445 . . . . 0.0 111.987 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' E' E ' 2' ' ' ILE . . . . . . . . . . . . . 11.9 tt -81.35 -36.55 14.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-O 120.683 0.278 . . . . 0.0 111.197 -179.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 93.9 t -61.78 -59.74 3.83 Favored 'Isoleucine or valine' 0 C--O 1.238 0.457 0 CA-C-O 120.783 0.325 . . . . 0.0 110.96 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 4' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -79.12 59.23 2.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.753 0.787 . . . . 0.0 111.177 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 5' ' ' GLN . . . . . 0.455 ' HG2' ' SG ' ' E' ' 11' ' ' CYS . 31.7 tt0 -170.12 -42.13 0.02 OUTLIER 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 114.432 -1.258 . . . . 0.0 107.878 179.778 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' E' E ' 6' ' ' CYS . . . . . 0.42 ' HB2' HD12 ' F' ' 11' ' ' LEU . 89.5 m -90.22 -39.89 12.52 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.649 -1.16 . . . . 0.0 110.91 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' E' E ' 7' ' ' CYS . . . . . . . . . . . . . 80.6 m -91.1 16.82 8.97 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.138 0.494 . . . . 0.0 110.097 178.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 25.4 m -103.55 -45.76 4.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.528 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 9' ' ' SER . . . . . . . . . . . . . 7.6 p -156.25 23.1 0.36 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.568 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 mp 69.17 125.43 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.704 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 11' ' ' CYS . . . . . 0.455 ' SG ' ' HG2' ' E' ' 5' ' ' GLN . 84.4 m -81.29 146.02 30.62 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.95 179.588 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' E' E ' 12' ' ' SER . . . . . 0.423 ' HB2' ' HG3' ' E' ' 15' ' ' GLN . 19.7 m -75.58 150.5 38.04 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 178.383 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' E' E ' 13' ' ' LEU . . . . . 0.918 HD12 HD12 ' K' ' 13' ' ' LEU . 7.1 tt -51.0 -48.05 61.44 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -178.308 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -65.68 -22.51 66.64 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -179.044 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 15' ' ' GLN . . . . . 0.423 ' HG3' ' HB2' ' E' ' 12' ' ' SER . 26.1 mt-30 -76.03 -28.65 57.8 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 178.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' E' E ' 16' ' ' LEU . . . . . 0.46 ' HA ' HD21 ' E' ' 16' ' ' LEU . 86.2 mt -77.7 -24.5 49.23 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.525 -179.631 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' E' E ' 17' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -61.32 -22.4 64.86 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 111.914 0.339 . . . . 0.0 111.914 -179.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 18' ' ' ASN . . . . . . . . . . . . . 67.3 m-20 -81.17 -6.04 58.39 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.812 0.339 . . . . 0.0 111.265 -179.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 19' ' ' TYR . . . . . 0.506 ' HB2' HD23 ' F' ' 15' ' ' LEU . 17.4 m-30 -103.32 13.3 34.07 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.037 0.446 . . . . 0.0 111.435 -178.623 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' E' E ' 20' ' ' CYS . . . . . . . . . . . . . 76.2 m -84.4 153.41 23.44 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.752 179.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 21' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 . . . . . 0 C--O 1.253 1.287 0 CA-C-O 118.476 -0.773 . . . . 0.0 109.895 179.807 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' F' F ' 1' ' ' PHE . . . . . . . . . . . . . 30.5 t80 . . . . . 0 N--CA 1.481 1.092 0 CA-C-O 120.727 0.299 . . . . 0.0 111.471 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' F' F ' 2' ' ' VAL . . . . . 0.529 ' O ' ' HG ' ' F' ' 6' ' ' LEU . 15.6 m -69.2 -31.1 48.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -178.146 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' F' F ' 3' ' ' ASN . . . . . 0.414 ' HA ' ' HB2' ' F' ' 6' ' ' LEU . 10.1 m-20 -63.19 -19.1 64.2 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-O 120.994 0.426 . . . . 0.0 110.799 179.486 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' F' F ' 4' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -68.08 -17.4 64.37 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.31 0.576 . . . . 0.0 109.991 178.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 5' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -118.31 10.88 12.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.412 0.625 . . . . 0.0 109.717 179.171 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 6' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' F' ' 2' ' ' VAL . 54.0 mt -125.79 -63.68 1.11 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.673 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' F' F ' 7' ' ' CYS . . . . . 0.475 ' SG ' HD23 ' J' ' 6' ' ' LEU . 2.6 t -63.2 -46.53 86.61 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.777 -1.102 . . . . 0.0 109.157 178.428 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' F' F ' 8' ' ' GLY . . . . . 0.667 ' HA2' ' HG ' ' F' ' 11' ' ' LEU . . . -58.72 -29.77 64.81 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.653 -0.785 . . . . 0.0 112.343 178.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' F' F ' 9' ' ' SER . . . . . 0.653 ' HB3' ' HG2' ' H' ' 13' ' ' GLU . 7.4 m -71.75 -1.38 13.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.664 0.268 . . . . 0.0 111.438 179.732 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' F' F ' 10' ' ' HIS . . . . . . . . . . . . . 72.7 m-70 -120.39 -10.79 9.24 Favored 'General case' 0 CA--C 1.513 -0.472 0 CA-C-O 120.759 0.314 . . . . 0.0 111.227 179.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 11' ' ' LEU . . . . . 0.667 ' HG ' ' HA2' ' F' ' 8' ' ' GLY . 14.4 mt -69.74 -21.92 63.41 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 107.209 -1.404 . . . . 0.0 107.209 176.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' F' F ' 12' ' ' VAL . . . . . 0.518 HG22 HG22 ' H' ' 12' ' ' VAL . 11.9 m -68.0 -46.36 81.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 CA-C-N 114.546 -1.206 . . . . 0.0 111.461 179.328 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' F' F ' 13' ' ' GLU . . . . . 0.656 ' HG2' ' HB3' ' H' ' 9' ' ' SER . 18.8 mt-10 -63.21 -29.48 70.81 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 178.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' F' F ' 14' ' ' ALA . . . . . 0.629 ' HB3' ' HG ' ' L' ' 17' ' ' LEU . . . -69.25 -52.84 23.63 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.429 177.388 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' F' F ' 15' ' ' LEU . . . . . 0.506 HD23 ' HB2' ' E' ' 19' ' ' TYR . 91.1 mt -58.12 -39.12 77.89 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.97 178.537 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' F' F ' 16' ' ' TYR . . . . . 0.489 ' CD2' ' HE2' ' F' ' 24' ' ' PHE . 0.4 OUTLIER -54.78 -37.97 66.67 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.019 -0.991 . . . . 0.0 110.851 179.895 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' F' F ' 17' ' ' LEU . . . . . 0.617 ' HG ' ' HB3' ' L' ' 14' ' ' ALA . 4.0 mm? -80.72 -44.17 19.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.501 179.196 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 89.3 t -58.61 -48.15 86.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.487 179.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 19' ' ' CYS . . . . . 0.601 ' HB3' ' HB2' ' F' ' 22' ' ' ARG . 69.4 m -72.44 -28.02 62.68 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.979 179.077 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' F' F ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.39 -99.37 0.33 Allowed Glycine 0 N--CA 1.452 -0.273 0 CA-C-N 115.563 -0.744 . . . . 0.0 113.763 178.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 21' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -92.44 6.81 45.68 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.115 0.483 . . . . 0.0 110.743 -178.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 22' ' ' ARG . . . . . 0.601 ' HB2' ' HB3' ' F' ' 19' ' ' CYS . 46.6 mtt85 -104.44 173.84 6.13 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.751 -0.658 . . . . 0.0 109.857 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' F' F ' 23' ' ' GLY . . . . . 0.689 ' HA2' ' HD2' ' H' ' 28' ' ' PRO . . . -99.27 -172.29 31.06 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.385 -0.912 . . . . 0.0 111.051 178.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' F' F ' 24' ' ' PHE . . . . . 0.489 ' HE2' ' CD2' ' F' ' 16' ' ' TYR . 4.9 p90 -156.37 149.01 23.73 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.213 0.53 . . . . 0.0 110.473 178.787 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' F' F ' 25' ' ' PHE . . . . . . . . . . . . . 8.0 p90 -114.44 117.78 31.96 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 179.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 26' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -106.31 120.24 41.35 Favored 'General case' 0 N--CA 1.445 -0.687 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.175 -179.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 27' ' ' THR . . . . . 0.403 ' C ' ' H ' ' F' ' 29' ' ' LYS . 2.8 p -123.2 88.51 51.19 Favored Pre-proline 0 C--N 1.318 -0.77 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 -178.653 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' F' F ' 28' ' ' PRO . . . . . 0.669 ' HD2' ' HA2' ' H' ' 23' ' ' GLY . 93.5 Cg_endo -82.39 11.53 3.15 Favored 'Trans proline' 0 N--CA 1.46 -0.487 0 C-N-CA 122.614 2.209 . . . . 0.0 109.676 177.418 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' F' F ' 29' ' ' LYS . . . . . 0.403 ' H ' ' C ' ' F' ' 27' ' ' THR . 68.3 tttt -109.41 126.87 53.91 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 114.049 -1.432 . . . . 0.0 109.819 -179.664 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' F' F ' 30' ' ' THR . . . . . . . . . . . . . 9.2 t . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.625 -0.702 . . . . 0.0 109.566 179.742 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' G' G ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.887 0 N-CA-C 111.507 -0.637 . . . . 0.0 111.507 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' G' G ' 2' ' ' ILE . . . . . . . . . . . . . 11.6 tt -82.25 -36.17 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 120.736 0.303 . . . . 0.0 111.332 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 87.6 t -62.31 -58.84 5.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.856 0.36 . . . . 0.0 110.697 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 4' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -79.98 61.6 3.92 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.706 0.765 . . . . 0.0 110.847 179.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 5' ' ' GLN . . . . . 0.463 ' HG2' ' SG ' ' G' ' 11' ' ' CYS . 32.6 tt0 -172.19 -44.84 0.02 OUTLIER 'General case' 0 C--N 1.31 -1.146 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' G' G ' 6' ' ' CYS . . . . . 0.415 ' HB2' HD12 ' H' ' 11' ' ' LEU . 95.5 m -87.99 -39.64 14.52 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.653 -1.158 . . . . 0.0 111.109 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' G' G ' 7' ' ' CYS . . . . . . . . . . . . . 79.4 m -91.05 17.2 8.31 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.165 0.507 . . . . 0.0 110.107 178.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 8' ' ' THR . . . . . . . . . . . . . 22.8 m -103.82 -45.89 4.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.435 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 9' ' ' SER . . . . . . . . . . . . . 3.6 p -156.43 22.78 0.35 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.802 179.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 mp 70.1 125.84 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.726 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 11' ' ' CYS . . . . . 0.463 ' SG ' ' HG2' ' G' ' 5' ' ' GLN . 81.1 m -81.77 146.93 29.69 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.071 179.691 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' G' G ' 12' ' ' SER . . . . . 0.438 ' HB2' ' HG3' ' G' ' 15' ' ' GLN . 14.7 m -75.58 151.77 37.81 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 178.372 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' G' G ' 13' ' ' LEU . . . . . 0.93 HD12 HD12 ' A' ' 13' ' ' LEU . 7.3 tt -52.4 -47.37 66.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 123.378 0.424 . . . . 0.0 112.039 -178.667 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -66.11 -22.15 66.38 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 -179.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 15' ' ' GLN . . . . . 0.438 ' HG3' ' HB2' ' G' ' 12' ' ' SER . 25.7 mt-30 -77.18 -27.23 53.58 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.188 0.518 . . . . 0.0 109.868 178.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' G' G ' 16' ' ' LEU . . . . . 0.442 HD21 ' HA ' ' G' ' 16' ' ' LEU . 85.6 mt -78.62 -24.47 45.3 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.262 -179.594 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' G' G ' 17' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -61.04 -23.48 65.47 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.807 -179.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 18' ' ' ASN . . . . . . . . . . . . . 68.4 m-20 -80.81 -4.17 53.7 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.485 -179.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 19' ' ' TYR . . . . . 0.492 ' HB2' HD23 ' H' ' 15' ' ' LEU . 17.5 m-30 -105.47 14.36 28.78 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.969 0.414 . . . . 0.0 111.215 -178.618 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' G' G ' 20' ' ' CYS . . . . . . . . . . . . . 77.4 m -85.28 154.23 22.06 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.158 179.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 21' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 . . . . . 0 C--O 1.253 1.255 0 CA-C-O 118.498 -0.763 . . . . 0.0 109.45 179.659 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' H' H ' 1' ' ' PHE . . . . . . . . . . . . . 28.1 t80 . . . . . 0 N--CA 1.48 1.071 0 N-CA-C 111.528 0.195 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' H' H ' 2' ' ' VAL . . . . . 0.512 ' O ' ' HG ' ' H' ' 6' ' ' LEU . 16.0 m -67.64 -32.23 55.96 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.185 0 N-CA-C 112.856 0.687 . . . . 0.0 112.856 -178.192 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' H' H ' 3' ' ' ASN . . . . . 0.431 ' HA ' ' HB2' ' H' ' 6' ' ' LEU . 11.3 m-20 -62.89 -18.76 63.43 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-O 120.927 0.394 . . . . 0.0 110.822 179.443 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' H' H ' 4' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -68.24 -17.75 64.38 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-O 121.1 0.476 . . . . 0.0 109.884 178.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' H' H ' 5' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -118.14 11.4 13.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.433 0.635 . . . . 0.0 109.578 179.205 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' H' H ' 6' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' H' ' 2' ' ' VAL . 54.1 mt -126.04 -64.37 1.05 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.505 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' H' H ' 7' ' ' CYS . . . . . 0.464 ' SG ' HD23 ' D' ' 6' ' ' LEU . 2.9 t -62.59 -46.61 87.53 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.739 -1.119 . . . . 0.0 109.403 178.363 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' H' H ' 8' ' ' GLY . . . . . 0.661 ' HA2' ' HG ' ' H' ' 11' ' ' LEU . . . -59.05 -29.67 65.68 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.32 178.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' H' H ' 9' ' ' SER . . . . . 0.656 ' HB3' ' HG2' ' F' ' 13' ' ' GLU . 7.7 m -71.82 -1.12 12.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.706 0.289 . . . . 0.0 111.323 179.621 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' H' H ' 10' ' ' HIS . . . . . . . . . . . . . 70.1 m-70 -120.77 -10.82 9.1 Favored 'General case' 0 CA--C 1.509 -0.627 0 CA-C-O 120.763 0.316 . . . . 0.0 111.309 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' H' H ' 11' ' ' LEU . . . . . 0.661 ' HG ' ' HA2' ' H' ' 8' ' ' GLY . 14.3 mt -69.85 -21.77 63.32 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 176.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' H' H ' 12' ' ' VAL . . . . . 0.518 HG22 HG22 ' F' ' 12' ' ' VAL . 11.3 m -67.99 -46.44 81.81 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 CA-C-N 114.575 -1.193 . . . . 0.0 111.583 179.332 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' H' H ' 13' ' ' GLU . . . . . 0.653 ' HG2' ' HB3' ' F' ' 9' ' ' SER . 19.5 mt-10 -62.86 -29.82 71.04 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 178.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' H' H ' 14' ' ' ALA . . . . . 0.626 ' HB3' ' HG ' ' B' ' 17' ' ' LEU . . . -69.17 -52.66 25.81 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.445 177.428 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' H' H ' 15' ' ' LEU . . . . . 0.492 HD23 ' HB2' ' G' ' 19' ' ' TYR . 91.1 mt -57.83 -39.16 77.0 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.499 0.666 . . . . 0.0 110.092 178.539 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' H' H ' 16' ' ' TYR . . . . . 0.49 ' CD2' ' HE2' ' H' ' 24' ' ' PHE . 0.4 OUTLIER -54.85 -37.77 66.62 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.759 -1.11 . . . . 0.0 110.809 179.883 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' H' H ' 17' ' ' LEU . . . . . 0.624 ' HG ' ' HB3' ' B' ' 14' ' ' ALA . 4.1 mm? -81.42 -43.31 19.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.4 179.357 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 84.8 t -59.31 -48.19 87.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.5 179.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' H' H ' 19' ' ' CYS . . . . . 0.605 ' HB3' ' HB2' ' H' ' 22' ' ' ARG . 73.7 m -72.39 -28.76 63.19 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.833 179.07 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' H' H ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.39 -98.82 0.34 Allowed Glycine 0 N--CA 1.452 -0.235 0 CA-C-N 115.605 -0.725 . . . . 0.0 113.939 178.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' H' H ' 21' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -92.93 6.62 47.16 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.123 0.487 . . . . 0.0 110.781 -178.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' H' H ' 22' ' ' ARG . . . . . 0.605 ' HB2' ' HB3' ' H' ' 19' ' ' CYS . 48.7 mtt85 -104.46 173.71 6.19 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.705 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' H' H ' 23' ' ' GLY . . . . . 0.669 ' HA2' ' HD2' ' F' ' 28' ' ' PRO . . . -99.63 -171.95 30.53 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.408 -0.901 . . . . 0.0 111.184 178.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' H' H ' 24' ' ' PHE . . . . . 0.49 ' HE2' ' CD2' ' H' ' 16' ' ' TYR . 5.2 p90 -156.48 149.28 23.84 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.208 0.528 . . . . 0.0 110.437 178.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' H' H ' 25' ' ' PHE . . . . . . . . . . . . . 8.0 p90 -114.62 118.02 32.51 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 179.095 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' H' H ' 26' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -106.61 119.86 40.43 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.323 -179.125 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' H' H ' 27' ' ' THR . . . . . . . . . . . . . 3.8 p -122.86 89.3 50.41 Favored Pre-proline 0 C--N 1.318 -0.782 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -178.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' H' H ' 28' ' ' PRO . . . . . 0.689 ' HD2' ' HA2' ' F' ' 23' ' ' GLY . 86.3 Cg_endo -82.68 11.26 3.28 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.591 2.194 . . . . 0.0 109.73 177.406 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' H' H ' 29' ' ' LYS . . . . . . . . . . . . . 69.2 tttt -108.48 129.31 55.28 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 113.904 -1.498 . . . . 0.0 109.401 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' H' H ' 30' ' ' THR . . . . . . . . . . . . . 13.5 t . . . . . 0 C--O 1.248 0.986 0 CA-C-O 118.609 -0.71 . . . . 0.0 109.77 179.949 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' I' I ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.625 0 N-CA-C 111.412 -0.675 . . . . 0.0 111.412 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' I' I ' 2' ' ' ILE . . . . . . . . . . . . . 12.5 tt -81.9 -36.1 13.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.7 0.286 . . . . 0.0 111.31 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' I' I ' 3' ' ' VAL . . . . . 0.409 HG12 ' HG3' ' J' ' 4' ' ' GLN . 86.6 t -62.08 -59.21 4.68 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.968 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' I' I ' 4' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -79.72 59.72 3.16 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.674 0.749 . . . . 0.0 111.117 179.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' I' I ' 5' ' ' GLN . . . . . 0.448 ' HG2' ' SG ' ' I' ' 11' ' ' CYS . 31.4 tt0 -170.34 -44.27 0.02 OUTLIER 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 114.301 -1.318 . . . . 0.0 107.62 179.758 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' I' I ' 6' ' ' CYS . . . . . 0.433 ' HB2' HD12 ' J' ' 11' ' ' LEU . 96.0 m -88.57 -39.27 14.25 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 114.594 -1.184 . . . . 0.0 111.226 179.731 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' I' I ' 7' ' ' CYS . . . . . . . . . . . . . 79.7 m -91.8 17.57 8.89 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.176 0.512 . . . . 0.0 110.007 178.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' I' I ' 8' ' ' THR . . . . . . . . . . . . . 22.7 m -103.74 -45.92 4.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.536 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' I' I ' 9' ' ' SER . . . . . . . . . . . . . 3.7 p -156.28 22.26 0.36 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.702 179.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' I' I ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 mp 70.39 127.7 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.399 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' I' I ' 11' ' ' CYS . . . . . 0.448 ' SG ' ' HG2' ' I' ' 5' ' ' GLN . 76.2 m -83.81 146.66 28.01 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.858 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' I' I ' 12' ' ' SER . . . . . 0.401 ' HB2' ' HG3' ' I' ' 15' ' ' GLN . 19.5 m -75.43 151.94 38.03 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 178.602 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' I' I ' 13' ' ' LEU . . . . . 0.939 HD12 HD12 ' C' ' 13' ' ' LEU . 7.3 tt -52.51 -47.64 66.5 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -178.57 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -65.55 -23.47 66.87 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -179.022 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' I' I ' 15' ' ' GLN . . . . . 0.401 ' HG3' ' HB2' ' I' ' 12' ' ' SER . 26.3 mt-30 -75.13 -28.98 60.4 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.104 0.478 . . . . 0.0 110.052 178.802 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' I' I ' 16' ' ' LEU . . . . . 0.401 ' HB3' ' CD2' ' J' ' 15' ' ' LEU . 84.9 mt -76.91 -24.71 52.47 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.48 -179.552 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' I' I ' 17' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -61.01 -22.59 64.68 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.868 0.366 . . . . 0.0 111.919 -179.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' I' I ' 18' ' ' ASN . . . . . . . . . . . . . 64.0 m-20 -81.77 -3.27 53.41 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.381 -178.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' I' I ' 19' ' ' TYR . . . . . 0.492 ' HB2' HD23 ' J' ' 15' ' ' LEU . 18.2 m-30 -106.46 14.25 27.44 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.942 0.401 . . . . 0.0 111.23 -178.464 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' I' I ' 20' ' ' CYS . . . . . . . . . . . . . 78.9 m -85.05 156.01 21.28 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.023 179.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' I' I ' 21' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 . . . . . 0 C--O 1.254 1.321 0 CA-C-O 118.222 -0.894 . . . . 0.0 109.585 179.722 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' J' J ' 1' ' ' PHE . . . . . . . . . . . . . 28.2 t80 . . . . . 0 N--CA 1.482 1.134 0 CA-C-O 120.669 0.271 . . . . 0.0 111.73 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' J' J ' 2' ' ' VAL . . . . . 0.522 ' O ' ' HG ' ' J' ' 6' ' ' LEU . 16.4 m -69.1 -32.12 52.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 -178.182 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' J' J ' 3' ' ' ASN . . . . . 0.415 ' HA ' ' HB2' ' J' ' 6' ' ' LEU . 10.8 m-20 -62.92 -18.68 63.4 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-O 121.031 0.443 . . . . 0.0 110.91 179.549 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' J' J ' 4' ' ' GLN . . . . . 0.409 ' HG3' HG12 ' I' ' 3' ' ' VAL . 8.7 tt0 -68.65 -17.06 64.02 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.216 0.531 . . . . 0.0 109.86 178.49 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' J' J ' 5' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -118.73 11.06 12.61 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.383 0.611 . . . . 0.0 109.598 179.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' J' J ' 6' ' ' LEU . . . . . 0.522 ' HG ' ' O ' ' J' ' 2' ' ' VAL . 53.8 mt -125.68 -64.4 1.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.388 179.712 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' J' J ' 7' ' ' CYS . . . . . 0.475 ' SG ' HD23 ' B' ' 6' ' ' LEU . 3.4 t -62.11 -46.67 88.03 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.745 -1.116 . . . . 0.0 109.385 178.16 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' J' J ' 8' ' ' GLY . . . . . 0.64 ' HA2' ' HG ' ' J' ' 11' ' ' LEU . . . -58.73 -29.92 65.07 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.315 178.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' J' J ' 9' ' ' SER . . . . . 0.679 ' HB3' ' HG2' ' L' ' 13' ' ' GLU . 8.2 m -71.74 -1.44 13.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.717 0.294 . . . . 0.0 111.337 179.746 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' J' J ' 10' ' ' HIS . . . . . . . . . . . . . 71.4 m-70 -120.59 -10.85 9.16 Favored 'General case' 0 CA--C 1.509 -0.62 0 CA-C-O 120.823 0.344 . . . . 0.0 111.277 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' J' J ' 11' ' ' LEU . . . . . 0.64 ' HG ' ' HA2' ' J' ' 8' ' ' GLY . 13.5 mt -69.97 -21.49 63.24 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 176.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' J' J ' 12' ' ' VAL . . . . . 0.527 HG22 HG22 ' L' ' 12' ' ' VAL . 12.1 m -68.24 -46.1 81.67 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 CA-C-N 114.713 -1.131 . . . . 0.0 111.583 179.32 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' J' J ' 13' ' ' GLU . . . . . 0.686 ' HG2' ' HB3' ' L' ' 9' ' ' SER . 19.2 mt-10 -63.28 -29.52 70.83 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 178.776 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' J' J ' 14' ' ' ALA . . . . . 0.604 ' HB3' ' HG ' ' D' ' 17' ' ' LEU . . . -69.25 -52.99 22.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.438 177.39 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' J' J ' 15' ' ' LEU . . . . . 0.492 HD23 ' HB2' ' I' ' 19' ' ' TYR . 94.1 mt -57.78 -39.1 76.69 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.051 178.512 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' J' J ' 16' ' ' TYR . . . . . 0.496 ' CD2' ' HE2' ' J' ' 24' ' ' PHE . 0.5 OUTLIER -54.74 -38.17 66.81 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.829 -1.078 . . . . 0.0 110.948 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' J' J ' 17' ' ' LEU . . . . . 0.607 ' HG ' ' HB3' ' D' ' 14' ' ' ALA . 4.0 mm? -81.03 -43.44 19.56 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.583 179.214 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 84.3 t -59.08 -47.49 89.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.557 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' J' J ' 19' ' ' CYS . . . . . 0.595 ' HB3' ' HB2' ' J' ' 22' ' ' ARG . 73.4 m -73.17 -29.17 62.66 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.776 179.027 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' J' J ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.34 -99.75 0.41 Allowed Glycine 0 N--CA 1.451 -0.346 0 CA-C-N 115.517 -0.765 . . . . 0.0 113.772 178.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' J' J ' 21' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -91.11 4.43 52.19 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.25 0.548 . . . . 0.0 110.935 -178.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' J' J ' 22' ' ' ARG . . . . . 0.595 ' HB2' ' HB3' ' J' ' 19' ' ' CYS . 49.0 mtt85 -102.43 174.68 5.8 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.027 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' J' J ' 23' ' ' GLY . . . . . 0.692 ' HA2' ' HD2' ' L' ' 28' ' ' PRO . . . -100.36 -171.79 29.57 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.411 -0.9 . . . . 0.0 111.139 179.052 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' J' J ' 24' ' ' PHE . . . . . 0.496 ' HE2' ' CD2' ' J' ' 16' ' ' TYR . 5.0 p90 -156.65 149.31 23.61 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.189 0.519 . . . . 0.0 110.274 178.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' J' J ' 25' ' ' PHE . . . . . . . . . . . . . 8.0 p90 -114.6 117.69 31.6 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 179.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' J' J ' 26' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -106.09 120.08 40.88 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.316 -179.24 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' J' J ' 27' ' ' THR . . . . . 0.407 ' C ' ' H ' ' J' ' 29' ' ' LYS . 3.9 p -122.87 88.99 50.49 Favored Pre-proline 0 C--N 1.323 -0.579 0 N-CA-C 112.818 0.674 . . . . 0.0 112.818 -178.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' J' J ' 28' ' ' PRO . . . . . 0.681 ' HD2' ' HA2' ' L' ' 23' ' ' GLY . 90.2 Cg_endo -82.65 11.8 3.1 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.745 2.297 . . . . 0.0 109.658 177.349 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' J' J ' 29' ' ' LYS . . . . . 0.407 ' H ' ' C ' ' J' ' 27' ' ' THR . 69.8 tttt -109.06 130.53 55.48 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.038 -1.437 . . . . 0.0 109.227 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' J' J ' 30' ' ' THR . . . . . . . . . . . . . 11.6 t . . . . . 0 C--O 1.246 0.914 0 CA-C-O 118.696 -0.669 . . . . 0.0 109.589 -179.951 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.754 0 N-CA-C 111.461 -0.656 . . . . 0.0 111.461 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' K' K ' 2' ' ' ILE . . . . . . . . . . . . . 11.9 tt -81.37 -35.65 14.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.58 0.229 . . . . 0.0 111.413 -179.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' K' K ' 3' ' ' VAL . . . . . . . . . . . . . 98.0 t -62.87 -59.62 4.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.894 0.378 . . . . 0.0 110.668 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' K' K ' 4' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -78.77 58.95 2.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.5 0.667 . . . . 0.0 111.27 179.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' K' K ' 5' ' ' GLN . . . . . 0.431 ' HG2' ' SG ' ' K' ' 11' ' ' CYS . 32.0 tt0 -170.02 -43.37 0.02 OUTLIER 'General case' 0 C--N 1.311 -1.07 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' K' K ' 6' ' ' CYS . . . . . 0.416 ' HB2' HD12 ' L' ' 11' ' ' LEU . 92.3 m -89.09 -39.47 13.61 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.634 -1.167 . . . . 0.0 111.142 179.659 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' K' K ' 7' ' ' CYS . . . . . . . . . . . . . 80.6 m -91.73 17.96 8.26 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.103 0.478 . . . . 0.0 110.017 178.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' K' K ' 8' ' ' THR . . . . . . . . . . . . . 24.5 m -104.39 -44.71 4.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.523 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' K' K ' 9' ' ' SER . . . . . . . . . . . . . 4.9 p -157.77 22.59 0.27 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.706 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' K' K ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 mp 69.81 127.41 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.619 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' K' K ' 11' ' ' CYS . . . . . 0.431 ' SG ' ' HG2' ' K' ' 5' ' ' GLN . 82.2 m -83.48 145.88 28.69 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.964 179.724 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' K' K ' 12' ' ' SER . . . . . 0.415 ' HB2' ' HG3' ' K' ' 15' ' ' GLN . 18.8 m -74.84 152.14 38.96 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 178.429 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' K' K ' 13' ' ' LEU . . . . . 0.918 HD12 HD12 ' E' ' 13' ' ' LEU . 7.3 tt -52.92 -46.89 68.29 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -178.521 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -66.09 -22.71 66.42 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -178.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' K' K ' 15' ' ' GLN . . . . . 0.415 ' HG3' ' HB2' ' K' ' 12' ' ' SER . 25.7 mt-30 -76.14 -28.83 57.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.089 0.471 . . . . 0.0 109.99 178.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' K' K ' 16' ' ' LEU . . . . . 0.402 ' HB3' ' CD2' ' L' ' 15' ' ' LEU . 85.5 mt -77.2 -24.21 51.38 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.584 -179.655 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' K' K ' 17' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -61.94 -21.98 65.23 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.884 0.373 . . . . 0.0 111.926 -179.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' K' K ' 18' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -81.79 -3.44 53.89 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.282 -179.289 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' K' K ' 19' ' ' TYR . . . . . 0.496 ' HB2' HD23 ' L' ' 15' ' ' LEU . 17.4 m-30 -106.52 14.91 26.53 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.873 0.368 . . . . 0.0 111.039 -178.351 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' K' K ' 20' ' ' CYS . . . . . . . . . . . . . 75.2 m -86.01 154.65 21.29 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.911 179.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' K' K ' 21' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 . . . . . 0 C--O 1.251 1.173 0 CA-C-O 118.278 -0.868 . . . . 0.0 109.152 179.494 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' L' L ' 1' ' ' PHE . . . . . . . . . . . . . 28.9 t80 . . . . . 0 N--CA 1.482 1.151 0 N-CA-C 111.489 0.181 . . . . 0.0 111.489 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' L' L ' 2' ' ' VAL . . . . . 0.501 ' O ' ' HG ' ' L' ' 6' ' ' LEU . 15.3 m -67.49 -32.3 56.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 -178.279 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' L' L ' 3' ' ' ASN . . . . . 0.406 ' HA ' ' HB2' ' L' ' 6' ' ' LEU . 10.3 m-20 -62.69 -17.91 61.49 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-O 121.035 0.445 . . . . 0.0 110.884 179.576 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' L' L ' 4' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -69.76 -16.9 63.39 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.255 0.55 . . . . 0.0 109.826 178.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' L' L ' 5' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -118.73 11.56 12.76 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.439 0.638 . . . . 0.0 109.501 179.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' L' L ' 6' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' L' ' 2' ' ' VAL . 54.1 mt -126.19 -64.49 1.04 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.373 -0.831 . . . . 0.0 109.478 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' L' L ' 7' ' ' CYS . . . . . 0.466 ' SG ' HD23 ' H' ' 6' ' ' LEU . 2.9 t -62.41 -46.63 87.73 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.758 -1.11 . . . . 0.0 109.305 178.498 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' L' L ' 8' ' ' GLY . . . . . 0.672 ' HA2' ' HG ' ' L' ' 11' ' ' LEU . . . -59.0 -29.69 65.55 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.231 179.069 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' L' L ' 9' ' ' SER . . . . . 0.686 ' HB3' ' HG2' ' J' ' 13' ' ' GLU . 7.4 m -71.97 -0.62 12.0 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.602 0.239 . . . . 0.0 111.256 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' L' L ' 10' ' ' HIS . . . . . . . . . . . . . 69.1 m-70 -121.22 -11.12 8.87 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-O 120.88 0.372 . . . . 0.0 111.216 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' L' L ' 11' ' ' LEU . . . . . 0.672 ' HG ' ' HA2' ' L' ' 8' ' ' GLY . 13.9 mt -69.39 -21.77 63.75 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 176.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' L' L ' 12' ' ' VAL . . . . . 0.527 HG22 HG22 ' J' ' 12' ' ' VAL . 12.2 m -68.29 -46.16 81.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-N 114.543 -1.208 . . . . 0.0 111.521 179.43 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' L' L ' 13' ' ' GLU . . . . . 0.679 ' HG2' ' HB3' ' J' ' 9' ' ' SER . 19.0 mt-10 -63.18 -29.56 70.88 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 178.714 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' L' L ' 14' ' ' ALA . . . . . 0.617 ' HB3' ' HG ' ' F' ' 17' ' ' LEU . . . -69.23 -52.95 22.68 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.424 177.442 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' L' L ' 15' ' ' LEU . . . . . 0.496 HD23 ' HB2' ' K' ' 19' ' ' TYR . 91.3 mt -57.82 -39.22 77.11 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.915 178.621 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' L' L ' 16' ' ' TYR . . . . . 0.484 ' CD2' ' HE2' ' L' ' 24' ' ' PHE . 0.4 OUTLIER -54.85 -37.78 66.63 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.843 179.933 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' L' L ' 17' ' ' LEU . . . . . 0.629 ' HG ' ' HB3' ' F' ' 14' ' ' ALA . 4.0 mm? -81.22 -43.62 18.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.469 179.18 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 85.9 t -59.15 -47.39 90.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.485 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' L' L ' 19' ' ' CYS . . . . . 0.602 ' HB3' ' HB2' ' L' ' 22' ' ' ARG . 70.9 m -73.15 -28.9 62.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.147 -0.478 . . . . 0.0 109.804 179.142 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' L' L ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.01 -98.56 0.37 Allowed Glycine 0 N--CA 1.452 -0.239 0 CA-C-N 115.511 -0.768 . . . . 0.0 113.964 178.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' L' L ' 21' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -93.66 6.92 46.7 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.408 0.623 . . . . 0.0 110.697 -178.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' L' L ' 22' ' ' ARG . . . . . 0.602 ' HB2' ' HB3' ' L' ' 19' ' ' CYS . 49.0 mtt85 -104.76 173.94 6.09 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.939 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' L' L ' 23' ' ' GLY . . . . . 0.681 ' HA2' ' HD2' ' J' ' 28' ' ' PRO . . . -99.57 -172.11 30.64 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.42 -0.895 . . . . 0.0 111.078 178.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' L' L ' 24' ' ' PHE . . . . . 0.484 ' HE2' ' CD2' ' L' ' 16' ' ' TYR . 4.9 p90 -156.33 149.66 24.46 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.154 0.502 . . . . 0.0 110.251 178.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' L' L ' 25' ' ' PHE . . . . . . . . . . . . . 8.0 p90 -114.91 118.35 33.24 Favored 'General case' 0 C--N 1.317 -0.848 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 179.098 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' L' L ' 26' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -106.82 119.89 40.54 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-O 120.97 0.414 . . . . 0.0 110.154 -179.145 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' L' L ' 27' ' ' THR . . . . . 0.41 ' C ' ' H ' ' L' ' 29' ' ' LYS . 3.1 p -122.75 88.65 50.16 Favored Pre-proline 0 C--N 1.323 -0.567 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 -178.745 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' L' L ' 28' ' ' PRO . . . . . 0.692 ' HD2' ' HA2' ' J' ' 23' ' ' GLY . 95.8 Cg_endo -82.44 11.11 3.3 Favored 'Trans proline' 0 N--CA 1.461 -0.424 0 C-N-CA 122.684 2.256 . . . . 0.0 109.703 177.661 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' L' L ' 29' ' ' LYS . . . . . 0.41 ' H ' ' C ' ' L' ' 27' ' ' THR . 69.5 tttt . . . . . 0 C--N 1.318 -0.778 0 CA-C-N 113.916 -1.493 . . . . 0.0 109.377 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.35 0 N-CA-C 111.838 -0.505 . . . . 0.0 111.838 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.6 tt -163.63 -43.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-O 120.641 0.258 . . . . 0.0 110.581 179.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.547 HG12 ' CD ' ' B' ' 4' ' ' GLN . 46.3 t -71.69 -75.57 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 C-N-CA 120.914 -0.314 . . . . 0.0 111.651 -179.194 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 79.0 tt0 -57.13 -33.64 67.58 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.893 0.378 . . . . 0.0 110.402 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -55.86 -40.02 72.32 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.543 179.291 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 70.9 m -101.84 -27.58 12.92 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -179.114 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.68 ' HB2' HD12 ' B' ' 11' ' ' LEU . 42.4 t -84.85 41.62 0.87 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.457 0.646 . . . . 0.0 111.015 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.414 HG21 ' N ' ' A' ' 9' ' ' SER . 9.9 t -127.79 -44.01 1.51 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 178.123 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.432 ' O ' ' HB ' ' A' ' 10' ' ' ILE . 52.7 m -158.06 19.57 0.25 Allowed 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 120.486 0.184 . . . . 0.0 110.691 179.197 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.58 HD13 ' HB ' ' F' ' 2' ' ' VAL . 1.9 mp 73.16 136.54 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.499 0 C-N-CA 123.133 0.573 . . . . 0.0 111.202 -179.504 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.498 ' N ' HG21 ' A' ' 10' ' ' ILE . 97.9 m -91.57 175.24 6.98 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.114 0.483 . . . . 0.0 111.042 179.788 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.0 m -79.68 161.96 25.51 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.162 178.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.91 -56.44 21.06 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.168 -178.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -66.64 -17.99 65.13 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.876 0.369 . . . . 0.0 111.417 -179.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -71.26 -31.59 67.7 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.018 179.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.0 mt -74.94 -30.32 61.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.456 178.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -63.44 -16.78 61.58 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.168 -179.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -71.25 -12.83 61.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.893 0.378 . . . . 0.0 110.858 179.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -106.1 15.95 25.66 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.201 0.524 . . . . 0.0 110.807 -178.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 11.8 m -92.32 155.3 18.02 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.117 179.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 59.8 m-80 . . . . . 0 C--O 1.249 1.036 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.563 178.932 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 66.4 t80 . . . . . 0 N--CA 1.479 0.996 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . 0.625 HG13 HD11 ' B' ' 6' ' ' LEU . 10.3 m -116.31 169.93 6.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.837 179.741 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . 0.507 ' H ' ' CD1' ' I' ' 10' ' ' ILE . 3.1 t-20 -105.1 -170.28 1.73 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.646 -178.815 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . 0.547 ' CD ' HG12 ' A' ' 3' ' ' VAL . 5.3 tt0 -53.1 -34.8 58.25 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.067 179.39 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . 0.565 ' HB3' HG12 ' I' ' 10' ' ' ILE . 23.6 t60 -54.49 -18.56 4.43 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.604 -0.726 . . . . 0.0 112.626 -178.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.625 HD11 HG13 ' B' ' 2' ' ' VAL . 36.4 mt -124.81 -14.17 6.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.923 0.392 . . . . 0.0 110.983 178.547 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . 0.403 ' HB3' ' HA ' ' B' ' 4' ' ' GLN . 19.6 t -86.7 -40.27 15.23 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.928 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -60.74 -30.09 71.72 Favored Glycine 0 N--CA 1.451 -0.315 0 CA-C-N 116.075 -0.511 . . . . 0.0 113.869 -179.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' SER . . . . . 0.974 ' HB2' ' HG2' ' D' ' 13' ' ' GLU . 27.2 p -61.63 -24.16 66.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.955 0.407 . . . . 0.0 111.397 -179.083 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . 0.402 ' HA ' ' HG3' ' B' ' 13' ' ' GLU . 96.9 m-70 -99.04 -17.13 18.42 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.899 0.381 . . . . 0.0 111.004 -179.109 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.68 HD12 ' HB2' ' A' ' 7' ' ' CYS . 71.9 mt -73.88 -38.8 64.3 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 177.636 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.871 HG22 HG22 ' D' ' 12' ' ' VAL . 2.8 m -69.54 -28.93 39.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.145 179.18 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.994 ' HG2' ' HB2' ' D' ' 9' ' ' SER . 40.1 mt-10 -57.48 -46.7 83.4 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 121.18 0.514 . . . . 0.0 109.897 179.548 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.0 -29.94 58.35 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.877 179.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.44 ' HB2' ' HA ' ' B' ' 12' ' ' VAL . 14.2 mt -55.49 -58.85 6.07 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.77 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . 0.934 ' HB3' ' HE2' ' B' ' 24' ' ' PHE . 8.1 p90 -77.13 -16.79 59.02 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.027 -0.669 . . . . 0.0 111.077 -179.164 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.45 ' HB2' ' O ' ' B' ' 13' ' ' GLU . 9.4 tp -67.06 -42.99 83.8 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 178.495 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 78.7 t -79.21 -42.71 23.74 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 CA-C-N 114.819 -1.082 . . . . 0.0 109.385 178.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -86.99 51.53 2.27 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.724 179.584 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.9 127.54 38.82 Favored Glycine 0 N--CA 1.449 -0.493 0 CA-C-N 115.538 -0.756 . . . . 0.0 113.368 -178.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.499 ' HA ' ' O ' ' D' ' 28' ' ' PRO . 50.5 mt-10 62.22 30.57 17.65 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 123.402 0.681 . . . . 0.0 112.71 179.105 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 16.9 mtt180 -118.91 -103.23 0.41 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 177.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . 0.464 ' HA2' ' HD3' ' D' ' 28' ' ' PRO . . . 156.48 147.47 4.77 Favored Glycine 0 N--CA 1.445 -0.707 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.585 179.657 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . 0.934 ' HE2' ' HB3' ' B' ' 16' ' ' TYR . 32.3 p90 -146.61 178.87 7.96 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.727 0.299 . . . . 0.0 110.304 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -128.46 151.21 49.66 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 178.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 25.6 t80 -140.79 124.56 17.08 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.038 0.447 . . . . 0.0 110.782 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 8.1 p -119.92 111.87 35.43 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.841 179.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . 0.529 ' HA ' ' OE1' ' B' ' 4' ' ' GLN . 8.9 Cg_exo -71.98 70.64 2.91 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 123.239 2.626 . . . . 0.0 111.677 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -120.46 175.79 5.81 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.078 -179.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 12.8 t . . . . . 0 C--O 1.251 1.137 0 CA-C-O 118.903 -0.57 . . . . 0.0 109.483 179.587 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.361 0 N-CA-C 111.607 -0.597 . . . . 0.0 111.607 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 7.3 tt -165.93 -44.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-O 120.965 0.412 . . . . 0.0 110.814 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 3' ' ' VAL . . . . . 0.556 HG12 ' CD ' ' D' ' 4' ' ' GLN . 45.4 t -71.63 -75.34 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.424 -179.483 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 73.6 tt0 -57.21 -32.82 66.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.074 0.464 . . . . 0.0 110.679 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -57.35 -38.94 74.94 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.569 179.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 71.3 m -102.57 -27.37 12.79 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -179.049 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 7' ' ' CYS . . . . . 0.657 ' HB2' HD12 ' D' ' 11' ' ' LEU . 42.0 t -85.02 40.68 0.83 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.321 0.581 . . . . 0.0 110.977 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 8' ' ' THR . . . . . 0.401 HG21 ' N ' ' C' ' 9' ' ' SER . 8.4 t -126.75 -42.87 1.74 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 178.31 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 9' ' ' SER . . . . . 0.431 ' O ' ' HB ' ' C' ' 10' ' ' ILE . 59.2 m -159.23 19.89 0.19 Allowed 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.592 179.171 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . 0.591 HD13 ' HB ' ' L' ' 2' ' ' VAL . 1.9 mp 72.75 137.14 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 CA-C-O 121.277 0.56 . . . . 0.0 111.327 -179.386 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 11' ' ' CYS . . . . . 0.467 ' N ' HG21 ' C' ' 10' ' ' ILE . 99.6 m -92.41 174.95 7.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.972 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 7.0 m -79.46 160.96 26.38 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.135 179.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.09 -55.86 28.72 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.354 -179.298 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -67.1 -18.27 65.25 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.921 0.391 . . . . 0.0 111.415 -179.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -70.45 -32.36 69.9 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.93 179.185 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 96.2 mt -74.32 -30.44 62.06 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.699 179.026 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -63.62 -15.66 58.8 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.999 -179.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -72.12 -14.35 61.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.095 0.474 . . . . 0.0 110.795 179.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -104.78 15.96 26.89 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.219 0.533 . . . . 0.0 111.038 -178.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 11.7 m -91.78 156.94 17.18 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.287 179.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 55.8 m-80 . . . . . 0 C--O 1.244 0.779 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.558 179.024 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 66.1 t80 . . . . . 0 N--CA 1.481 1.116 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' D' D ' 2' ' ' VAL . . . . . 0.602 HG13 HD11 ' D' ' 6' ' ' LEU . 11.1 m -116.17 170.69 5.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 C-N-CA 120.316 -0.554 . . . . 0.0 110.959 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 3' ' ' ASN . . . . . 0.523 ' H ' ' CD1' ' G' ' 10' ' ' ILE . 2.9 t-20 -106.3 -171.48 1.9 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.666 -178.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 4' ' ' GLN . . . . . 0.556 ' CD ' HG12 ' C' ' 3' ' ' VAL . 5.2 tt0 -51.93 -34.37 41.52 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.279 179.401 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 5' ' ' HIS . . . . . 0.564 ' HB3' HG12 ' G' ' 10' ' ' ILE . 25.0 t60 -55.07 -18.62 5.63 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.799 -178.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 6' ' ' LEU . . . . . 0.602 HD11 HG13 ' D' ' 2' ' ' VAL . 36.3 mt -124.28 -14.61 6.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.021 0.438 . . . . 0.0 111.081 178.596 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 7' ' ' CYS . . . . . . . . . . . . . 22.6 t -86.33 -40.33 15.57 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.256 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 8' ' ' GLY . . . . . . . . . . . . . . . -60.66 -30.47 72.39 Favored Glycine 0 N--CA 1.451 -0.318 0 CA-C-N 116.014 -0.539 . . . . 0.0 113.728 -179.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 9' ' ' SER . . . . . 0.994 ' HB2' ' HG2' ' B' ' 13' ' ' GLU . 28.7 p -61.12 -24.38 66.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.91 0.386 . . . . 0.0 111.553 -179.155 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 10' ' ' HIS . . . . . 0.412 ' HA ' ' HG3' ' D' ' 13' ' ' GLU . 97.3 m-70 -98.94 -16.82 18.63 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.0 -179.238 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 11' ' ' LEU . . . . . 0.657 HD12 ' HB2' ' C' ' 7' ' ' CYS . 71.5 mt -74.23 -39.08 63.32 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.715 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 12' ' ' VAL . . . . . 0.871 HG22 HG22 ' B' ' 12' ' ' VAL . 3.0 m -69.3 -28.68 39.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.443 179.116 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 13' ' ' GLU . . . . . 0.974 ' HG2' ' HB2' ' B' ' 9' ' ' SER . 40.8 mt-10 -57.78 -46.98 83.83 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-O 121.186 0.517 . . . . 0.0 109.85 179.444 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.35 -30.22 60.17 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.778 179.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 15' ' ' LEU . . . . . 0.457 ' HB2' ' HA ' ' D' ' 12' ' ' VAL . 13.6 mt -55.5 -59.13 5.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.753 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 16' ' ' TYR . . . . . 0.945 ' HB3' ' HE2' ' D' ' 24' ' ' PHE . 8.4 p90 -76.75 -17.13 59.25 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.033 -0.667 . . . . 0.0 110.999 -179.253 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . 0.455 ' HB2' ' O ' ' D' ' 13' ' ' GLU . 8.8 tp -66.76 -42.7 85.74 Favored 'General case' 0 C--O 1.232 0.181 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 178.569 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 77.6 t -79.7 -43.06 23.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 114.901 -1.045 . . . . 0.0 109.281 178.163 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -86.14 50.76 2.05 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.165 179.623 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.82 127.89 41.86 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 115.499 -0.773 . . . . 0.0 113.347 -178.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 21' ' ' GLU . . . . . 0.512 ' HA ' ' O ' ' B' ' 28' ' ' PRO . 49.7 mt-10 61.91 29.69 17.9 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 179.142 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 22' ' ' ARG . . . . . . . . . . . . . 17.3 mtt180 -118.03 -102.54 0.42 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.093 0.473 . . . . 0.0 110.079 177.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 23' ' ' GLY . . . . . 0.463 ' HA2' ' HD3' ' B' ' 28' ' ' PRO . . . 156.09 146.98 4.6 Favored Glycine 0 N--CA 1.444 -0.79 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.508 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 24' ' ' PHE . . . . . 0.945 ' HE2' ' HB3' ' D' ' 16' ' ' TYR . 30.1 p90 -146.68 178.56 8.21 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.858 0.361 . . . . 0.0 110.149 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 25' ' ' PHE . . . . . . . . . . . . . 5.9 p90 -128.46 151.49 49.34 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.529 178.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 26' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -140.98 124.51 16.77 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.049 0.452 . . . . 0.0 110.952 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 27' ' ' THR . . . . . . . . . . . . . 15.0 p -120.03 112.3 34.95 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.718 179.143 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 28' ' ' PRO . . . . . 0.544 ' HA ' ' OE1' ' D' ' 4' ' ' GLN . 8.1 Cg_exo -71.83 69.9 2.89 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 123.384 2.722 . . . . 0.0 111.597 -179.716 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -120.91 173.71 7.07 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.048 -179.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 13.5 t . . . . . 0 C--O 1.248 1.01 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 179.586 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.605 0 N-CA-C 111.692 -0.563 . . . . 0.0 111.692 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' E' E ' 2' ' ' ILE . . . . . . . . . . . . . 7.0 tt -162.29 -43.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 120.787 0.327 . . . . 0.0 110.878 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 3' ' ' VAL . . . . . 0.569 HG13 ' CD ' ' F' ' 4' ' ' GLN . 43.4 t -71.52 -75.65 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.461 -179.168 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' E' E ' 4' ' ' GLU . . . . . . . . . . . . . 73.4 tt0 -57.3 -31.31 65.51 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 121.119 0.485 . . . . 0.0 110.655 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -58.71 -39.88 82.08 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.086 179.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 6' ' ' CYS . . . . . . . . . . . . . 71.2 m -101.51 -26.71 13.46 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -178.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 7' ' ' CYS . . . . . 0.656 ' HB2' HD12 ' F' ' 11' ' ' LEU . 42.2 t -85.51 40.14 0.82 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.238 0.542 . . . . 0.0 111.041 -179.575 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' E' E ' 8' ' ' THR . . . . . 0.441 HG21 ' N ' ' E' ' 9' ' ' SER . 9.7 t -126.52 -43.02 1.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 178.144 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' E' E ' 9' ' ' SER . . . . . 0.441 ' N ' HG21 ' E' ' 8' ' ' THR . 73.3 m -158.93 20.45 0.2 Allowed 'General case' 0 CA--C 1.531 0.233 0 CA-C-O 120.578 0.227 . . . . 0.0 110.704 179.183 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' E' E ' 10' ' ' ILE . . . . . 0.582 HD13 ' HB ' ' J' ' 2' ' ' VAL . 1.9 mp 72.03 136.36 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 C-N-CA 123.14 0.576 . . . . 0.0 111.408 -179.481 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' E' E ' 11' ' ' CYS . . . . . 0.484 ' N ' HG21 ' E' ' 10' ' ' ILE . 98.4 m -90.88 176.71 6.52 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.116 0.484 . . . . 0.0 111.147 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' E' E ' 12' ' ' SER . . . . . . . . . . . . . 5.7 m -80.96 161.69 24.2 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.91 178.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 13' ' ' LEU . . . . . 0.408 HD12 HG12 ' F' ' 18' ' ' VAL . 1.0 OUTLIER -61.14 -56.02 25.59 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.28 -179.191 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -67.03 -17.64 65.0 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.986 0.422 . . . . 0.0 111.228 -179.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -71.43 -31.47 67.25 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.965 179.109 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 16' ' ' LEU . . . . . 0.418 ' HA ' HD21 ' E' ' 16' ' ' LEU . 96.0 mt -75.12 -30.32 60.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.477 178.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' E' E ' 17' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -63.69 -16.01 59.92 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.923 -0.58 . . . . 0.0 112.066 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 18' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -72.14 -14.03 61.72 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.973 0.416 . . . . 0.0 110.71 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 19' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -104.91 16.14 26.49 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.217 0.532 . . . . 0.0 110.903 -178.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 20' ' ' CYS . . . . . . . . . . . . . 11.0 m -91.97 155.94 17.79 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.494 -0.775 . . . . 0.0 111.033 179.476 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 21' ' ' ASN . . . . . . . . . . . . . 56.6 m-80 . . . . . 0 C--O 1.247 0.959 0 CA-C-N 115.723 -0.672 . . . . 0.0 109.39 178.667 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' F' F ' 1' ' ' PHE . . . . . . . . . . . . . 66.6 t80 . . . . . 0 N--CA 1.482 1.175 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' F' F ' 2' ' ' VAL . . . . . 0.623 HG13 HD11 ' F' ' 6' ' ' LEU . 11.3 m -115.19 171.62 4.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 C-N-CA 120.462 -0.495 . . . . 0.0 111.053 179.646 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' F' F ' 3' ' ' ASN . . . . . 0.525 ' H ' ' CD1' ' A' ' 10' ' ' ILE . 3.5 t-20 -107.1 -171.5 1.9 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.552 -178.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' F' F ' 4' ' ' GLN . . . . . 0.569 ' CD ' HG13 ' E' ' 3' ' ' VAL . 5.3 tt0 -52.06 -34.14 42.25 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 123.032 0.533 . . . . 0.0 111.153 179.28 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' F' F ' 5' ' ' HIS . . . . . 0.561 ' HB3' HG12 ' A' ' 10' ' ' ILE . 22.9 t60 -55.25 -18.34 5.99 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.747 -0.661 . . . . 0.0 112.646 -178.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' F' F ' 6' ' ' LEU . . . . . 0.623 HD11 HG13 ' F' ' 2' ' ' VAL . 37.7 mt -124.98 -13.88 6.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.938 0.399 . . . . 0.0 111.037 178.568 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' F' F ' 7' ' ' CYS . . . . . 0.405 ' HB3' ' HA ' ' F' ' 4' ' ' GLN . 17.3 t -87.06 -40.06 15.03 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.003 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' F' F ' 8' ' ' GLY . . . . . . . . . . . . . . . -60.71 -30.34 72.26 Favored Glycine 0 C--N 1.331 0.254 0 CA-C-N 115.937 -0.574 . . . . 0.0 113.762 -179.136 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 9' ' ' SER . . . . . 0.988 ' HB2' ' HG2' ' H' ' 13' ' ' GLU . 25.9 p -61.45 -24.18 66.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.952 0.406 . . . . 0.0 111.427 -178.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' F' F ' 10' ' ' HIS . . . . . 0.413 ' HA ' ' HG3' ' F' ' 13' ' ' GLU . 96.5 m-70 -99.07 -17.18 18.37 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.009 -179.09 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' F' F ' 11' ' ' LEU . . . . . 0.656 HD12 ' HB2' ' E' ' 7' ' ' CYS . 70.5 mt -73.68 -39.25 64.53 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 177.547 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' F' F ' 12' ' ' VAL . . . . . 0.889 HG22 HG22 ' H' ' 12' ' ' VAL . 2.9 m -69.1 -28.89 40.95 Favored 'Isoleucine or valine' 0 C--O 1.232 0.137 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.302 179.236 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' F' F ' 13' ' ' GLU . . . . . 0.981 ' HG2' ' HB2' ' H' ' 9' ' ' SER . 40.5 mt-10 -57.61 -47.23 82.77 Favored 'General case' 0 CA--C 1.521 -0.151 0 CA-C-O 121.187 0.517 . . . . 0.0 109.883 179.375 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' F' F ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.13 -29.98 60.69 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.882 179.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 15' ' ' LEU . . . . . 0.46 ' HB2' ' HA ' ' F' ' 12' ' ' VAL . 13.7 mt -55.74 -59.17 5.24 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.867 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' F' F ' 16' ' ' TYR . . . . . 0.927 ' HB3' ' HE2' ' F' ' 24' ' ' PHE . 8.4 p90 -76.72 -17.03 59.33 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 119.91 -0.716 . . . . 0.0 111.02 -179.4 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' F' F ' 17' ' ' LEU . . . . . 0.451 ' HB2' ' O ' ' F' ' 13' ' ' GLU . 9.1 tp -66.96 -42.36 85.3 Favored 'General case' 0 C--O 1.23 0.062 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 178.722 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . 0.408 HG12 HD12 ' E' ' 13' ' ' LEU . 79.8 t -79.83 -42.68 22.53 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 CA-C-N 114.925 -1.034 . . . . 0.0 109.346 178.304 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' F' F ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -87.13 51.87 2.36 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.977 179.689 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' F' F ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.89 129.77 41.78 Favored Glycine 0 N--CA 1.446 -0.666 0 CA-C-N 115.4 -0.818 . . . . 0.0 113.443 -178.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 21' ' ' GLU . . . . . 0.496 ' HA ' ' O ' ' H' ' 28' ' ' PRO . 52.8 mt-10 60.67 29.48 19.04 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 179.238 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' F' F ' 22' ' ' ARG . . . . . . . . . . . . . 18.5 mtt180 -118.38 -104.09 0.41 Allowed 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 178.012 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 23' ' ' GLY . . . . . 0.473 ' HA2' ' HD3' ' H' ' 28' ' ' PRO . . . 157.48 147.86 4.93 Favored Glycine 0 N--CA 1.446 -0.664 0 N-CA-C 111.558 -0.617 . . . . 0.0 111.558 179.695 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' F' F ' 24' ' ' PHE . . . . . 0.927 ' HE2' ' HB3' ' F' ' 16' ' ' TYR . 29.8 p90 -147.32 178.41 8.43 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.771 0.32 . . . . 0.0 110.199 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' F' F ' 25' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -128.05 152.01 48.47 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 178.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 26' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -141.49 125.01 16.69 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.976 0.417 . . . . 0.0 110.673 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 27' ' ' THR . . . . . 0.422 ' HA ' ' HD3' ' F' ' 28' ' ' PRO . 10.3 p -120.34 111.36 35.14 Favored Pre-proline 0 C--N 1.318 -0.761 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.908 179.373 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' F' F ' 28' ' ' PRO . . . . . 0.523 ' O ' ' HA ' ' H' ' 21' ' ' GLU . 9.0 Cg_exo -71.45 70.23 2.58 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 123.346 2.697 . . . . 0.0 111.64 -179.753 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' F' F ' 29' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -121.7 171.99 8.46 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.246 -179.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 30' ' ' THR . . . . . . . . . . . . . 13.2 t . . . . . 0 C--O 1.245 0.861 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 179.413 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' G' G ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.754 0 N-CA-C 111.654 -0.578 . . . . 0.0 111.654 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' G' G ' 2' ' ' ILE . . . . . . . . . . . . . 7.0 tt -164.79 -43.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.011 0.434 . . . . 0.0 111.035 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' G' G ' 3' ' ' VAL . . . . . 0.563 HG13 ' CD ' ' H' ' 4' ' ' GLN . 45.1 t -72.08 -73.67 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 122.225 -0.297 . . . . 0.0 111.612 -179.495 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' G' G ' 4' ' ' GLU . . . . . . . . . . . . . 75.9 tt0 -59.34 -31.7 69.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.083 0.468 . . . . 0.0 110.413 -179.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' G' G ' 5' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -57.97 -39.28 77.78 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.235 179.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' G' G ' 6' ' ' CYS . . . . . . . . . . . . . 71.1 m -102.43 -26.23 13.34 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -178.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' G' G ' 7' ' ' CYS . . . . . 0.689 ' HB2' HD12 ' H' ' 11' ' ' LEU . 41.9 t -86.07 40.85 0.89 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.249 0.547 . . . . 0.0 110.846 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' G' G ' 8' ' ' THR . . . . . 0.404 HG21 ' N ' ' G' ' 9' ' ' SER . 8.4 t -126.84 -43.57 1.69 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 178.168 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' G' G ' 9' ' ' SER . . . . . 0.418 ' O ' ' HB ' ' G' ' 10' ' ' ILE . 69.6 m -158.56 19.96 0.22 Allowed 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.707 -0.224 . . . . 0.0 110.699 179.19 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' G' G ' 10' ' ' ILE . . . . . 0.564 HG12 ' HB3' ' D' ' 5' ' ' HIS . 1.9 mp 72.92 137.09 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 C-N-CA 123.181 0.593 . . . . 0.0 111.251 -179.407 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' G' G ' 11' ' ' CYS . . . . . 0.492 ' N ' HG21 ' G' ' 10' ' ' ILE . 97.8 m -91.83 175.92 6.71 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.064 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' G' G ' 12' ' ' SER . . . . . . . . . . . . . 6.2 m -80.47 161.87 24.66 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.937 178.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' G' G ' 13' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.22 -56.03 25.36 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.798 0.332 . . . . 0.0 111.244 -178.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -67.13 -16.79 64.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.851 0.358 . . . . 0.0 111.259 -179.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -72.02 -32.42 67.14 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.8 179.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' G' G ' 16' ' ' LEU . . . . . . . . . . . . . 96.0 mt -74.26 -30.91 62.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.61 178.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' G' G ' 17' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -62.73 -17.47 60.86 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.965 -179.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' G' G ' 18' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -70.55 -13.88 62.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.858 179.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' G' G ' 19' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -105.35 15.58 27.04 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.21 0.528 . . . . 0.0 110.832 -178.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' G' G ' 20' ' ' CYS . . . . . . . . . . . . . 12.8 m -91.37 155.1 18.73 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.179 179.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' G' G ' 21' ' ' ASN . . . . . . . . . . . . . 61.9 m-80 . . . . . 0 C--O 1.249 1.063 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.907 179.187 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' H' H ' 1' ' ' PHE . . . . . . . . . . . . . 67.6 t80 . . . . . 0 N--CA 1.482 1.157 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' H' H ' 2' ' ' VAL . . . . . 0.637 HG13 HD11 ' H' ' 6' ' ' LEU . 10.1 m -116.44 170.42 6.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.957 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' H' H ' 3' ' ' ASN . . . . . 0.516 ' H ' ' CD1' ' K' ' 10' ' ' ILE . 3.1 t-20 -105.73 -169.78 1.64 Allowed 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.896 -178.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' H' H ' 4' ' ' GLN . . . . . 0.563 ' CD ' HG13 ' G' ' 3' ' ' VAL . 5.3 tt0 -53.54 -34.77 59.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.072 179.395 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' H' H ' 5' ' ' HIS . . . . . 0.565 ' HB3' HG12 ' K' ' 10' ' ' ILE . 23.7 t60 -54.33 -18.66 4.28 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.681 -0.69 . . . . 0.0 112.783 -179.083 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' H' H ' 6' ' ' LEU . . . . . 0.637 HD11 HG13 ' H' ' 2' ' ' VAL . 35.8 mt -124.67 -14.36 6.8 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.986 0.422 . . . . 0.0 110.941 178.795 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' H' H ' 7' ' ' CYS . . . . . . . . . . . . . 18.5 t -86.76 -40.29 15.15 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.146 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' H' H ' 8' ' ' GLY . . . . . . . . . . . . . . . -60.65 -30.36 72.09 Favored Glycine 0 C--N 1.33 0.249 0 CA-C-N 116.061 -0.518 . . . . 0.0 113.764 -179.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' H' H ' 9' ' ' SER . . . . . 0.981 ' HB2' ' HG2' ' F' ' 13' ' ' GLU . 32.5 p -61.23 -24.47 66.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.021 0.438 . . . . 0.0 111.697 -179.091 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' H' H ' 10' ' ' HIS . . . . . 0.424 ' HA ' ' HG3' ' H' ' 13' ' ' GLU . 97.2 m-70 -98.79 -17.04 18.68 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.934 -179.248 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' H' H ' 11' ' ' LEU . . . . . 0.689 HD12 ' HB2' ' G' ' 7' ' ' CYS . 71.5 mt -73.67 -39.64 64.29 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 177.607 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' H' H ' 12' ' ' VAL . . . . . 0.889 HG22 HG22 ' F' ' 12' ' ' VAL . 3.0 m -68.96 -28.57 40.07 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.305 179.255 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' H' H ' 13' ' ' GLU . . . . . 0.988 ' HG2' ' HB2' ' F' ' 9' ' ' SER . 39.1 mt-10 -57.73 -47.47 82.33 Favored 'General case' 0 CA--C 1.522 -0.118 0 CA-C-O 121.181 0.515 . . . . 0.0 109.743 179.527 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' H' H ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.13 -29.87 60.65 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.944 179.339 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' H' H ' 15' ' ' LEU . . . . . 0.452 ' HB2' ' HA ' ' H' ' 12' ' ' VAL . 13.6 mt -55.74 -59.01 5.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.8 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' H' H ' 16' ' ' TYR . . . . . 0.948 ' HB3' ' HE2' ' H' ' 24' ' ' PHE . 8.6 p90 -76.68 -17.57 59.05 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 119.832 -0.747 . . . . 0.0 110.95 -179.263 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' H' H ' 17' ' ' LEU . . . . . 0.448 ' HB2' ' O ' ' H' ' 13' ' ' GLU . 8.9 tp -66.14 -43.12 87.98 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 178.807 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 74.8 t -78.73 -45.0 25.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 114.876 -1.056 . . . . 0.0 109.097 178.115 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' H' H ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -84.76 51.47 2.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.068 -0.969 . . . . 0.0 110.31 179.589 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' H' H ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.1 127.98 38.98 Favored Glycine 0 N--CA 1.448 -0.515 0 CA-C-N 115.443 -0.799 . . . . 0.0 113.477 -178.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' H' H ' 21' ' ' GLU . . . . . 0.523 ' HA ' ' O ' ' F' ' 28' ' ' PRO . 53.1 mt-10 62.06 30.49 17.89 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 179.254 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' H' H ' 22' ' ' ARG . . . . . . . . . . . . . 17.6 mtt180 -119.15 -103.85 0.41 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 177.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' H' H ' 23' ' ' GLY . . . . . 0.452 ' HA2' ' HD3' ' F' ' 28' ' ' PRO . . . 156.94 147.36 4.75 Favored Glycine 0 N--CA 1.442 -0.917 0 N-CA-C 111.523 -0.631 . . . . 0.0 111.523 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' H' H ' 24' ' ' PHE . . . . . 0.948 ' HE2' ' HB3' ' H' ' 16' ' ' TYR . 30.5 p90 -146.67 179.38 7.6 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.791 0.329 . . . . 0.0 110.177 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' H' H ' 25' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -129.21 151.5 49.81 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.532 178.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' H' H ' 26' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -141.12 124.32 16.47 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.055 0.455 . . . . 0.0 110.989 -179.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' H' H ' 27' ' ' THR . . . . . . . . . . . . . 10.8 p -119.38 111.91 36.21 Favored Pre-proline 0 C--N 1.319 -0.731 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.806 179.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' H' H ' 28' ' ' PRO . . . . . 0.508 ' HA ' ' OE1' ' H' ' 4' ' ' GLN . 9.9 Cg_exo -71.87 70.65 2.83 Favored 'Trans proline' 0 N--CA 1.464 -0.248 0 C-N-CA 123.151 2.567 . . . . 0.0 111.341 -179.756 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' H' H ' 29' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -121.75 172.4 8.17 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.231 -179.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' H' H ' 30' ' ' THR . . . . . . . . . . . . . 14.7 t . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.787 -0.625 . . . . 0.0 109.549 179.882 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' I' I ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.008 0 N-CA-C 112.326 -0.31 . . . . 0.0 112.326 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' I' I ' 2' ' ' ILE . . . . . . . . . . . . . 7.0 tt -163.28 -43.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.36 0.124 . . . . 0.0 110.913 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' I' I ' 3' ' ' VAL . . . . . 0.575 HG12 ' CD ' ' J' ' 4' ' ' GLN . 44.8 t -70.81 -75.66 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.642 0.258 . . . . 0.0 111.442 -179.298 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' I' I ' 4' ' ' GLU . . . . . . . . . . . . . 74.4 tt0 -56.85 -34.43 67.78 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.941 0.4 . . . . 0.0 110.485 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' I' I ' 5' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -55.87 -38.99 70.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.439 179.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' I' I ' 6' ' ' CYS . . . . . . . . . . . . . 71.6 m -102.33 -27.89 12.57 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -179.083 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' I' I ' 7' ' ' CYS . . . . . 0.676 ' HB2' HD12 ' J' ' 11' ' ' LEU . 42.3 t -84.69 41.06 0.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.489 0.661 . . . . 0.0 110.925 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' I' I ' 8' ' ' THR . . . . . 0.41 HG21 ' N ' ' I' ' 9' ' ' SER . 7.7 t -127.18 -42.5 1.7 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 178.015 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' I' I ' 9' ' ' SER . . . . . 0.424 ' O ' ' HB ' ' I' ' 10' ' ' ILE . 72.5 m -160.01 20.47 0.16 Allowed 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 120.618 0.247 . . . . 0.0 110.566 179.111 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' I' I ' 10' ' ' ILE . . . . . 0.579 HD13 ' HB ' ' B' ' 2' ' ' VAL . 1.9 mp 72.44 138.37 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 C-N-CA 123.335 0.654 . . . . 0.0 111.471 -179.593 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' I' I ' 11' ' ' CYS . . . . . 0.497 ' N ' HG21 ' I' ' 10' ' ' ILE . 99.1 m -93.18 175.53 6.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.992 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' I' I ' 12' ' ' SER . . . . . . . . . . . . . 10.4 m -79.48 162.05 25.68 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.908 179.013 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' I' I ' 13' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.22 -56.47 20.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.136 -179.344 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -66.52 -17.24 64.7 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.846 0.355 . . . . 0.0 111.411 -179.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -71.95 -31.86 66.73 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.765 -0.458 . . . . 0.0 109.765 179.33 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' I' I ' 16' ' ' LEU . . . . . . . . . . . . . 96.0 mt -74.81 -30.56 61.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.602 178.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' I' I ' 17' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -63.61 -15.23 57.62 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.881 -0.6 . . . . 0.0 112.058 -179.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' I' I ' 18' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -72.78 -14.19 61.48 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.956 0.407 . . . . 0.0 110.685 179.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' I' I ' 19' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -104.76 16.28 26.3 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.356 0.598 . . . . 0.0 110.799 -178.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' I' I ' 20' ' ' CYS . . . . . . . . . . . . . 11.3 m -92.07 155.31 18.16 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.254 179.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' I' I ' 21' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 . . . . . 0 C--O 1.246 0.892 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.568 178.918 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' J' J ' 1' ' ' PHE . . . . . . . . . . . . . 66.2 t80 . . . . . 0 N--CA 1.484 1.262 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' J' J ' 2' ' ' VAL . . . . . 0.613 HG13 HD11 ' J' ' 6' ' ' LEU . 10.7 m -115.77 170.1 5.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 C-N-CA 120.476 -0.489 . . . . 0.0 110.998 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' J' J ' 3' ' ' ASN . . . . . 0.515 ' H ' ' CD1' ' E' ' 10' ' ' ILE . 3.1 t-20 -105.75 -171.0 1.82 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.57 -178.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' J' J ' 4' ' ' GLN . . . . . 0.575 ' CD ' HG12 ' I' ' 3' ' ' VAL . 5.2 tt0 -52.2 -34.87 47.34 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 122.952 0.501 . . . . 0.0 111.2 179.368 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' J' J ' 5' ' ' HIS . . . . . 0.553 ' HB3' HG12 ' E' ' 10' ' ' ILE . 25.3 t60 -54.65 -18.28 4.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.74 -0.664 . . . . 0.0 112.554 -178.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' J' J ' 6' ' ' LEU . . . . . 0.613 HD11 HG13 ' J' ' 2' ' ' VAL . 33.7 mt -124.84 -14.52 6.68 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.964 0.411 . . . . 0.0 110.995 178.659 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' J' J ' 7' ' ' CYS . . . . . . . . . . . . . 23.3 t -86.5 -40.8 14.93 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.945 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' J' J ' 8' ' ' GLY . . . . . . . . . . . . . . . -60.2 -30.3 70.46 Favored Glycine 0 N--CA 1.451 -0.329 0 CA-C-N 116.112 -0.495 . . . . 0.0 113.896 -179.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' J' J ' 9' ' ' SER . . . . . 0.973 ' HB2' ' HG2' ' L' ' 13' ' ' GLU . 25.9 p -61.59 -24.18 66.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.865 0.364 . . . . 0.0 111.499 -179.211 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' J' J ' 10' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -98.91 -17.08 18.55 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.055 0.455 . . . . 0.0 111.008 -179.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' J' J ' 11' ' ' LEU . . . . . 0.676 HD12 ' HB2' ' I' ' 7' ' ' CYS . 73.5 mt -73.87 -39.11 64.18 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.656 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' J' J ' 12' ' ' VAL . . . . . 0.879 HG22 HG22 ' L' ' 12' ' ' VAL . 3.0 m -69.43 -28.41 38.07 Favored 'Isoleucine or valine' 0 C--O 1.232 0.158 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.386 179.15 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' J' J ' 13' ' ' GLU . . . . . 0.962 ' HG2' ' HB2' ' L' ' 9' ' ' SER . 40.8 mt-10 -57.99 -47.11 83.96 Favored 'General case' 0 CA--C 1.522 -0.134 0 CA-C-O 121.164 0.507 . . . . 0.0 109.853 179.351 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' J' J ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.4 -29.87 59.92 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.754 179.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' J' J ' 15' ' ' LEU . . . . . 0.448 ' HB2' ' HA ' ' J' ' 12' ' ' VAL . 13.7 mt -55.69 -59.14 5.27 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.76 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' J' J ' 16' ' ' TYR . . . . . 0.95 ' HB3' ' HE2' ' J' ' 24' ' ' PHE . 8.6 p90 -76.64 -17.66 59.03 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 119.932 -0.707 . . . . 0.0 110.955 -179.274 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' J' J ' 17' ' ' LEU . . . . . 0.461 ' HB2' ' O ' ' J' ' 13' ' ' GLU . 8.8 tp -66.54 -41.6 88.46 Favored 'General case' 0 C--O 1.232 0.179 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 178.743 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 82.1 t -80.75 -42.72 20.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 114.935 -1.03 . . . . 0.0 109.136 178.16 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' J' J ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -86.49 50.75 2.06 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.122 179.642 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' J' J ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.48 129.55 45.26 Favored Glycine 0 N--CA 1.448 -0.516 0 CA-C-N 115.575 -0.739 . . . . 0.0 113.259 -179.05 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' J' J ' 21' ' ' GLU . . . . . 0.513 ' HA ' ' O ' ' L' ' 28' ' ' PRO . 53.1 mt-10 59.63 30.34 19.96 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 179.29 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' J' J ' 22' ' ' ARG . . . . . . . . . . . . . 16.0 mtt180 -118.4 -104.09 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 177.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' J' J ' 23' ' ' GLY . . . . . 0.448 ' HA2' ' HD3' ' L' ' 28' ' ' PRO . . . 157.2 147.24 4.72 Favored Glycine 0 N--CA 1.444 -0.786 0 N-CA-C 111.539 -0.625 . . . . 0.0 111.539 179.561 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' J' J ' 24' ' ' PHE . . . . . 0.95 ' HE2' ' HB3' ' J' ' 16' ' ' TYR . 31.2 p90 -145.69 -179.51 6.73 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' J' J ' 25' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -130.41 150.86 51.45 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 178.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' J' J ' 26' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -140.54 125.24 18.07 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.124 0.487 . . . . 0.0 110.877 -179.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' J' J ' 27' ' ' THR . . . . . . . . . . . . . 12.8 p -120.45 111.86 34.63 Favored Pre-proline 0 C--N 1.32 -0.686 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.038 179.199 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' J' J ' 28' ' ' PRO . . . . . 0.538 ' HA ' ' OE1' ' J' ' 4' ' ' GLN . 8.9 Cg_exo -71.55 70.34 2.64 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 123.307 2.671 . . . . 0.0 111.438 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' J' J ' 29' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -121.54 172.92 7.73 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.039 -179.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' J' J ' 30' ' ' THR . . . . . . . . . . . . . 14.5 t . . . . . 0 C--O 1.25 1.128 0 CA-C-O 118.874 -0.584 . . . . 0.0 109.68 179.818 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.738 0 N-CA-C 112.184 -0.366 . . . . 0.0 112.184 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' K' K ' 2' ' ' ILE . . . . . . . . . . . . . 6.6 tt -164.2 -42.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-O 121.109 0.481 . . . . 0.0 110.968 179.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' K' K ' 3' ' ' VAL . . . . . 0.588 HG13 ' CD ' ' L' ' 4' ' ' GLN . 46.4 t -72.32 -73.93 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.565 -179.271 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' K' K ' 4' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -58.46 -33.81 70.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.02 0.438 . . . . 0.0 110.593 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' K' K ' 5' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -56.39 -38.45 71.49 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.533 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' K' K ' 6' ' ' CYS . . . . . . . . . . . . . 72.7 m -102.84 -27.48 12.64 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.135 0.421 . . . . 0.0 112.135 -179.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' K' K ' 7' ' ' CYS . . . . . 0.672 ' HB2' HD12 ' L' ' 11' ' ' LEU . 42.7 t -85.43 41.72 0.91 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.374 0.607 . . . . 0.0 110.849 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' K' K ' 8' ' ' THR . . . . . 0.402 HG21 ' N ' ' K' ' 9' ' ' SER . 7.8 t -127.69 -43.92 1.53 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 178.054 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' K' K ' 9' ' ' SER . . . . . 0.434 ' O ' ' HB ' ' K' ' 10' ' ' ILE . 64.5 m -158.49 20.08 0.22 Allowed 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.761 -0.2 . . . . 0.0 110.749 179.09 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' K' K ' 10' ' ' ILE . . . . . 0.565 HG12 ' HB3' ' H' ' 5' ' ' HIS . 1.9 mp 72.99 136.87 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 C-N-CA 123.287 0.635 . . . . 0.0 111.243 -179.53 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' K' K ' 11' ' ' CYS . . . . . 0.489 ' N ' HG21 ' K' ' 10' ' ' ILE . 98.6 m -91.46 175.75 6.81 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.185 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' K' K ' 12' ' ' SER . . . . . . . . . . . . . 11.3 m -79.95 163.09 24.55 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.926 178.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' K' K ' 13' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.02 -55.78 25.69 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.719 0.295 . . . . 0.0 111.42 -179.129 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -66.9 -19.1 65.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.928 0.394 . . . . 0.0 111.073 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' K' K ' 15' ' ' GLN . . . . . 0.42 HE21 ' HB2' ' K' ' 15' ' ' GLN . 6.4 tt0 -69.49 -32.59 71.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.057 179.118 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' K' K ' 16' ' ' LEU . . . . . 0.411 ' HA ' HD21 ' K' ' 16' ' ' LEU . 96.1 mt -74.41 -30.68 62.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.6 178.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' K' K ' 17' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -63.09 -16.76 61.03 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.924 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' K' K ' 18' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -72.05 -11.6 60.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.831 0.348 . . . . 0.0 110.827 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' K' K ' 19' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -107.16 15.81 24.76 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.226 0.536 . . . . 0.0 110.694 -179.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' K' K ' 20' ' ' CYS . . . . . . . . . . . . . 11.4 m -92.28 155.34 18.02 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.459 -0.792 . . . . 0.0 111.174 179.53 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' K' K ' 21' ' ' ASN . . . . . . . . . . . . . 55.4 m-80 . . . . . 0 C--O 1.248 0.979 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.914 179.191 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' L' L ' 1' ' ' PHE . . . . . . . . . . . . . 66.5 t80 . . . . . 0 N--CA 1.483 1.179 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' L' L ' 2' ' ' VAL . . . . . 0.628 HG13 HD11 ' L' ' 6' ' ' LEU . 10.2 m -115.08 171.56 4.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.912 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' L' L ' 3' ' ' ASN . . . . . 0.516 ' H ' ' CD1' ' C' ' 10' ' ' ILE . 3.8 t-20 -106.65 -170.16 1.67 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.433 -179.145 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' L' L ' 4' ' ' GLN . . . . . 0.588 ' CD ' HG13 ' K' ' 3' ' ' VAL . 5.5 tt0 -52.94 -34.75 56.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.169 179.307 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' L' L ' 5' ' ' HIS . . . . . 0.573 ' HB3' HG12 ' C' ' 10' ' ' ILE . 23.3 t60 -54.43 -18.87 4.67 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.54 -0.754 . . . . 0.0 112.689 -178.782 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' L' L ' 6' ' ' LEU . . . . . 0.628 HD11 HG13 ' L' ' 2' ' ' VAL . 36.0 mt -124.59 -14.53 6.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.836 0.351 . . . . 0.0 111.077 178.658 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' L' L ' 7' ' ' CYS . . . . . . . . . . . . . 19.4 t -86.34 -40.53 15.36 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' L' L ' 8' ' ' GLY . . . . . . . . . . . . . . . -60.72 -30.05 71.58 Favored Glycine 0 N--CA 1.452 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 113.862 -179.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' L' L ' 9' ' ' SER . . . . . 0.962 ' HB2' ' HG2' ' J' ' 13' ' ' GLU . 25.1 p -61.65 -24.31 66.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.924 0.392 . . . . 0.0 111.521 -179.223 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' L' L ' 10' ' ' HIS . . . . . 0.403 ' HA ' ' HG3' ' L' ' 13' ' ' GLU . 96.8 m-70 -98.94 -16.82 18.63 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.95 -179.222 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' L' L ' 11' ' ' LEU . . . . . 0.672 HD12 ' HB2' ' K' ' 7' ' ' CYS . 71.3 mt -74.14 -38.92 63.61 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.301 -0.999 . . . . 0.0 108.301 177.652 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' L' L ' 12' ' ' VAL . . . . . 0.879 HG22 HG22 ' J' ' 12' ' ' VAL . 2.9 m -69.63 -28.3 37.01 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.383 179.235 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' L' L ' 13' ' ' GLU . . . . . 0.973 ' HG2' ' HB2' ' J' ' 9' ' ' SER . 40.8 mt-10 -58.07 -47.17 83.98 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-O 121.158 0.504 . . . . 0.0 109.716 179.191 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' L' L ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.91 -30.68 61.34 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.648 179.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' L' L ' 15' ' ' LEU . . . . . 0.463 ' HB2' ' HA ' ' L' ' 12' ' ' VAL . 14.0 mt -54.98 -59.28 4.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.925 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' L' L ' 16' ' ' TYR . . . . . 0.955 ' HB3' ' HE2' ' L' ' 24' ' ' PHE . 8.7 p90 -76.88 -17.37 59.0 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 119.862 -0.735 . . . . 0.0 110.916 -179.087 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' L' L ' 17' ' ' LEU . . . . . 0.46 ' HB2' ' O ' ' L' ' 13' ' ' GLU . 9.1 tp -65.95 -44.41 85.1 Favored 'General case' 0 C--O 1.232 0.149 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 178.567 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 78.4 t -77.98 -42.28 27.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 114.794 -1.094 . . . . 0.0 109.593 178.187 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' L' L ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -87.24 50.78 2.07 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.145 179.73 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' L' L ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.61 128.55 43.49 Favored Glycine 0 N--CA 1.447 -0.607 0 CA-C-N 115.446 -0.797 . . . . 0.0 113.418 -178.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' L' L ' 21' ' ' GLU . . . . . 0.511 ' HA ' ' O ' ' J' ' 28' ' ' PRO . 52.3 mt-10 61.35 28.82 18.21 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.84 0.682 . . . . 0.0 112.84 179.166 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' L' L ' 22' ' ' ARG . . . . . . . . . . . . . 17.9 mtt180 -117.37 -104.12 0.41 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 178.083 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' L' L ' 23' ' ' GLY . . . . . 0.42 ' HA2' ' HD3' ' J' ' 28' ' ' PRO . . . 157.49 147.14 4.7 Favored Glycine 0 N--CA 1.444 -0.802 0 N-CA-C 111.332 -0.707 . . . . 0.0 111.332 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' L' L ' 24' ' ' PHE . . . . . 0.955 ' HE2' ' HB3' ' L' ' 16' ' ' TYR . 30.5 p90 -146.55 178.75 8.05 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.858 0.361 . . . . 0.0 110.322 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' L' L ' 25' ' ' PHE . . . . . . . . . . . . . 5.6 p90 -128.92 150.94 50.16 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.672 178.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' L' L ' 26' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -140.44 125.54 18.53 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.872 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' L' L ' 27' ' ' THR . . . . . 0.42 ' HA ' ' HD3' ' L' ' 28' ' ' PRO . 11.7 p -120.78 111.66 34.26 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.853 179.348 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' L' L ' 28' ' ' PRO . . . . . 0.524 ' HA ' ' OE1' ' L' ' 4' ' ' GLN . 9.2 Cg_exo -71.34 69.61 2.56 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 123.403 2.736 . . . . 0.0 111.619 -179.761 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' L' L ' 29' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt . . . . . 0 C--N 1.32 -0.702 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.053 -179.349 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.599 0 N-CA-C 112.066 -0.414 . . . . 0.0 112.066 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.502 HD13 HD12 ' B' ' 15' ' ' LEU . 13.3 tt -139.49 -38.12 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 CA-C-N 116.946 0.373 . . . . 0.0 111.792 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.524 HG21 ' O ' ' B' ' 30' ' ' THR . 14.1 m -67.49 -50.81 58.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -179.059 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.402 ' OE1' HG22 ' A' ' 3' ' ' VAL . 2.9 mp0 -75.53 -10.39 59.41 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.741 0.305 . . . . 0.0 111.505 179.608 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -90.46 -36.27 14.64 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.857 0.36 . . . . 0.0 110.866 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 81.1 m -104.27 -34.78 8.22 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 -178.069 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.473 ' HB2' HD12 ' B' ' 11' ' ' LEU . 8.2 t -86.1 35.88 0.66 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.32 0.581 . . . . 0.0 110.818 -179.648 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.659 HG21 ' H ' ' A' ' 9' ' ' SER . 5.7 t -119.37 -62.73 1.47 Allowed 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 178.268 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.659 ' H ' HG21 ' A' ' 8' ' ' THR . 53.5 m -135.72 21.48 3.33 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 121.496 -0.753 . . . . 0.0 110.644 178.174 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.742 HD13 HG13 ' F' ' 2' ' ' VAL . 2.7 mp 76.0 136.51 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 C-N-CA 123.563 0.745 . . . . 0.0 110.358 -178.638 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 47.1 m -91.38 173.21 8.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.974 0.416 . . . . 0.0 111.051 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.582 ' HB3' ' HG3' ' A' ' 15' ' ' GLN . 43.2 t -86.38 152.19 22.92 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 177.676 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.447 ' HG ' HG23 ' B' ' 18' ' ' VAL . 9.3 tt -60.02 -32.98 71.4 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.132 0.491 . . . . 0.0 110.044 -179.64 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -73.15 -30.8 63.84 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.064 179.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.582 ' HG3' ' HB3' ' A' ' 12' ' ' SER . 87.6 mt-30 -70.41 -33.18 71.05 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.951 179.775 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 77.5 mt -67.47 -28.46 67.88 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.924 0.392 . . . . 0.0 110.705 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.655 ' HA ' ' SG ' ' A' ' 20' ' ' CYS . 67.4 tt0 -72.49 -13.07 61.34 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 121.094 0.473 . . . . 0.0 110.494 179.583 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.489 ' HB2' ' O ' ' A' ' 15' ' ' GLN . 3.9 m120 -69.86 -16.51 63.26 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.274 178.669 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -107.35 7.76 29.32 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.234 -179.035 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.655 ' SG ' ' HA ' ' A' ' 17' ' ' GLU . 87.4 m -76.32 83.02 3.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.887 0.375 . . . . 0.0 111.77 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.248 0.976 0 CA-C-O 118.297 -0.858 . . . . 0.0 111.125 178.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 18.9 t80 . . . . . 0 N--CA 1.482 1.125 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . 0.89 ' HB ' HD13 ' B' ' 6' ' ' LEU . 13.9 m -65.51 102.29 0.42 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 CA-C-O 121.353 0.596 . . . . 0.0 110.776 179.737 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . 0.555 ' O ' ' HB3' ' B' ' 7' ' ' CYS . 45.3 t30 -164.72 -68.49 0.04 OUTLIER 'General case' 0 C--O 1.214 -0.797 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.313 -179.242 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -54.12 -46.67 72.23 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.027 0.442 . . . . 0.0 111.808 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 51.9 t60 -81.08 -2.26 47.5 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -178.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.89 HD13 ' HB ' ' B' ' 2' ' ' VAL . 24.2 mt -116.12 -27.57 6.86 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.309 0.576 . . . . 0.0 110.7 179.34 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . 0.555 ' HB3' ' O ' ' B' ' 3' ' ' ASN . 0.0 OUTLIER -92.16 -36.69 13.15 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.112 -178.543 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.49 -33.85 59.33 Favored Glycine 0 C--N 1.334 0.46 0 C-N-CA 121.225 -0.512 . . . . 0.0 113.178 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' SER . . . . . 0.855 ' HB2' ' HG2' ' D' ' 13' ' ' GLU . 83.2 p -67.54 -11.82 58.91 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.955 0.407 . . . . 0.0 111.905 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . 0.674 ' HA ' ' HG3' ' B' ' 13' ' ' GLU . 99.0 m-70 -110.96 -15.65 13.71 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.809 -179.551 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.473 HD12 ' HB2' ' A' ' 7' ' ' CYS . 19.6 mt -72.02 -32.2 66.93 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 177.562 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.637 ' HA ' ' HB2' ' B' ' 15' ' ' LEU . 1.3 m -68.19 -27.95 39.02 Favored 'Isoleucine or valine' 0 C--O 1.232 0.136 0 CA-C-N 114.896 -1.047 . . . . 0.0 111.166 179.021 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.877 ' HG2' ' HB2' ' D' ' 9' ' ' SER . 18.3 mt-10 -61.52 -38.44 87.41 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 178.753 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -80.36 -30.14 37.95 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 114.88 -1.055 . . . . 0.0 110.414 178.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.637 ' HB2' ' HA ' ' B' ' 12' ' ' VAL . 11.2 mt -59.73 -61.79 2.36 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.926 179.736 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . 0.958 ' HB3' ' HE2' ' B' ' 24' ' ' PHE . 2.4 p90 -73.6 -4.32 33.37 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 119.848 -0.741 . . . . 0.0 110.691 -179.141 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.468 ' HB2' ' O ' ' B' ' 13' ' ' GLU . 9.1 tt -77.85 -45.83 23.17 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 177.524 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . 0.447 HG23 ' HG ' ' A' ' 13' ' ' LEU . 91.4 t -73.58 -44.01 53.98 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.975 178.787 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 75.1 m -67.38 -27.27 66.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.511 179.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.14 -100.95 0.62 Allowed Glycine 0 C--N 1.332 0.308 0 CA-C-N 116.046 -0.525 . . . . 0.0 113.005 179.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.711 ' HB2' ' HD2' ' D' ' 29' ' ' LYS . 16.9 pt-20 -91.8 -14.62 29.52 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.054 0.454 . . . . 0.0 110.429 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 86.2 mtm180 -77.14 140.58 40.26 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.131 179.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . 0.637 ' HA3' HG21 ' D' ' 27' ' ' THR . . . -85.32 -177.87 50.67 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.722 -0.752 . . . . 0.0 111.574 179.525 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . 0.958 ' HE2' ' HB3' ' B' ' 16' ' ' TYR . 14.9 p90 -154.9 167.46 30.21 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.203 0.525 . . . . 0.0 111.064 179.669 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -114.54 120.31 39.78 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 179.277 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -119.98 120.71 37.13 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.131 0.491 . . . . 0.0 111.603 -178.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' THR . . . . . 0.624 HG21 ' HA3' ' D' ' 23' ' ' GLY . 1.3 p -116.08 111.23 42.88 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.366 179.033 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . 0.539 ' HD3' ' HA2' ' D' ' 23' ' ' GLY . 15.5 Cg_exo -69.29 -10.81 29.93 Favored 'Trans proline' 0 N--CA 1.471 0.163 0 C-N-CA 123.222 2.614 . . . . 0.0 113.819 -178.06 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.664 ' HD2' ' HB2' ' D' ' 21' ' ' GLU . 79.4 tttt -102.45 -11.38 18.63 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.872 0.368 . . . . 0.0 110.991 -179.243 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' THR . . . . . 0.524 ' O ' HG21 ' A' ' 3' ' ' VAL . 58.5 m . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.542 -0.742 . . . . 0.0 110.07 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.62 0 N-CA-C 112.022 -0.431 . . . . 0.0 112.022 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' C' C ' 2' ' ' ILE . . . . . 0.503 HD13 HD12 ' D' ' 15' ' ' LEU . 12.3 tt -140.34 -38.16 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.838 0.351 . . . . 0.0 111.523 -179.734 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 3' ' ' VAL . . . . . 0.568 HG21 ' O ' ' D' ' 30' ' ' THR . 13.8 m -67.33 -50.44 62.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 C-N-CA 120.506 -0.477 . . . . 0.0 112.07 -179.327 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 4' ' ' GLU . . . . . 0.435 ' OE1' HG22 ' C' ' 3' ' ' VAL . 3.2 mp0 -76.84 -9.15 58.48 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.708 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -91.05 -36.71 13.88 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.604 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 84.3 m -104.0 -35.31 8.15 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 113.099 0.778 . . . . 0.0 113.099 -178.229 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 7' ' ' CYS . . . . . 0.459 ' HB2' HD12 ' D' ' 11' ' ' LEU . 8.0 t -85.59 36.66 0.66 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.273 0.558 . . . . 0.0 110.813 -179.748 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 8' ' ' THR . . . . . 0.682 HG21 ' H ' ' C' ' 9' ' ' SER . 4.9 t -119.55 -63.74 1.35 Allowed 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 178.255 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 9' ' ' SER . . . . . 0.682 ' H ' HG21 ' C' ' 8' ' ' THR . 62.0 m -135.42 21.35 3.39 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 121.654 -0.653 . . . . 0.0 110.606 178.121 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . 0.757 HD13 HG13 ' L' ' 2' ' ' VAL . 2.7 mp 76.4 135.97 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 123.557 0.743 . . . . 0.0 110.426 -179.024 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 53.4 m -90.83 173.07 8.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.191 0.52 . . . . 0.0 111.388 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 12' ' ' SER . . . . . 0.58 ' HB3' ' HG3' ' C' ' 15' ' ' GLN . 40.4 t -86.43 151.11 23.8 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 177.676 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 13' ' ' LEU . . . . . 0.441 ' HG ' HG23 ' D' ' 18' ' ' VAL . 9.5 tt -59.16 -33.53 71.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.107 0.479 . . . . 0.0 110.218 -179.61 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -72.21 -31.8 66.19 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.91 179.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . 0.58 ' HG3' ' HB3' ' C' ' 12' ' ' SER . 87.2 mt-30 -69.61 -33.33 72.52 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.097 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 75.2 mt -67.15 -28.81 68.44 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.84 0.352 . . . . 0.0 110.633 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 17' ' ' GLU . . . . . 0.672 ' HA ' ' SG ' ' C' ' 20' ' ' CYS . 68.1 tt0 -71.96 -13.5 61.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.551 179.501 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 18' ' ' ASN . . . . . 0.519 ' HB2' ' O ' ' C' ' 15' ' ' GLN . 3.8 m120 -69.15 -18.48 63.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.109 0.481 . . . . 0.0 110.298 178.754 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -105.82 8.02 32.59 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.27 -178.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 20' ' ' CYS . . . . . 0.672 ' SG ' ' HA ' ' C' ' 17' ' ' GLU . 85.9 m -76.53 82.24 3.22 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.795 -179.783 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 21' ' ' ASN . . . . . 0.429 HD21 ' HA ' ' C' ' 21' ' ' ASN . 0.4 OUTLIER . . . . . 0 C--O 1.25 1.087 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.35 178.605 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 16.2 t80 . . . . . 0 N--CA 1.479 0.995 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' D' D ' 2' ' ' VAL . . . . . 0.865 ' HB ' HD13 ' D' ' 6' ' ' LEU . 14.3 m -65.29 102.93 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 CA-C-O 121.379 0.609 . . . . 0.0 110.478 179.805 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 3' ' ' ASN . . . . . 0.543 ' O ' ' HB3' ' D' ' 7' ' ' CYS . 46.9 t30 -165.59 -69.59 0.03 OUTLIER 'General case' 0 C--O 1.215 -0.729 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.039 -179.171 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -53.43 -45.93 69.63 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.964 0.412 . . . . 0.0 112.043 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 5' ' ' HIS . . . . . . . . . . . . . 50.9 t60 -81.79 -2.7 51.75 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -178.146 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 6' ' ' LEU . . . . . 0.865 HD13 ' HB ' ' D' ' 2' ' ' VAL . 23.5 mt -115.42 -27.52 7.16 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.293 0.568 . . . . 0.0 110.809 179.476 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 7' ' ' CYS . . . . . 0.543 ' HB3' ' O ' ' D' ' 3' ' ' ASN . 0.0 OUTLIER -92.05 -36.85 13.14 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.135 -178.477 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' D' D ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.27 -34.21 58.89 Favored Glycine 0 C--N 1.336 0.561 0 C-N-CA 121.173 -0.537 . . . . 0.0 113.211 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 9' ' ' SER . . . . . 0.877 ' HB2' ' HG2' ' B' ' 13' ' ' GLU . 86.1 p -67.09 -12.39 59.82 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.886 0.374 . . . . 0.0 111.94 -179.689 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 10' ' ' HIS . . . . . 0.683 ' HA ' ' HG3' ' D' ' 13' ' ' GLU . 99.0 m-70 -110.51 -15.99 13.77 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 120.834 0.349 . . . . 0.0 110.877 -179.523 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 11' ' ' LEU . . . . . 0.459 HD12 ' HB2' ' C' ' 7' ' ' CYS . 20.7 mt -71.8 -32.17 67.33 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 177.567 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 12' ' ' VAL . . . . . 0.627 ' HA ' ' HB2' ' D' ' 15' ' ' LEU . 1.5 m -68.18 -28.2 39.99 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 CA-C-N 114.958 -1.019 . . . . 0.0 111.322 178.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 13' ' ' GLU . . . . . 0.855 ' HG2' ' HB2' ' B' ' 9' ' ' SER . 17.6 mt-10 -61.31 -38.49 87.04 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 178.586 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -80.07 -30.67 39.35 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 114.801 -1.09 . . . . 0.0 110.401 179.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 15' ' ' LEU . . . . . 0.627 ' HB2' ' HA ' ' D' ' 12' ' ' VAL . 11.1 mt -59.54 -61.97 2.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.97 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 16' ' ' TYR . . . . . 0.992 ' HB3' ' HE2' ' D' ' 24' ' ' PHE . 2.3 p90 -73.01 -5.09 36.5 Favored 'General case' 0 CA--C 1.528 0.103 0 C-N-CA 119.921 -0.712 . . . . 0.0 110.841 -179.333 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . 0.463 ' HB2' ' O ' ' D' ' 13' ' ' GLU . 9.0 tt -77.75 -45.82 23.55 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 177.56 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . 0.441 HG23 ' HG ' ' C' ' 13' ' ' LEU . 90.0 t -73.37 -43.64 56.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.867 178.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 19' ' ' CYS . . . . . . . . . . . . . 78.1 m -68.36 -26.76 65.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.66 179.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.24 -102.98 0.79 Allowed Glycine 0 N--CA 1.45 -0.374 0 CA-C-N 115.994 -0.548 . . . . 0.0 113.003 179.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 21' ' ' GLU . . . . . 0.664 ' HB2' ' HD2' ' B' ' 29' ' ' LYS . 17.3 pt-20 -89.77 -13.57 36.41 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.917 0.389 . . . . 0.0 110.531 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 22' ' ' ARG . . . . . . . . . . . . . 85.4 mtm180 -78.67 140.93 38.31 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.085 179.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 23' ' ' GLY . . . . . 0.624 ' HA3' HG21 ' B' ' 27' ' ' THR . . . -85.07 -177.23 50.88 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.508 -0.853 . . . . 0.0 111.62 179.634 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 24' ' ' PHE . . . . . 0.992 ' HE2' ' HB3' ' D' ' 16' ' ' TYR . 14.4 p90 -155.45 167.21 31.13 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.069 0.462 . . . . 0.0 111.031 179.543 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 25' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -114.45 120.62 40.92 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 179.25 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 26' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -120.27 120.47 36.16 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.12 0.486 . . . . 0.0 111.591 -178.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 27' ' ' THR . . . . . 0.637 HG21 ' HA3' ' B' ' 23' ' ' GLY . 1.2 p -115.72 111.21 43.68 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.447 178.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 28' ' ' PRO . . . . . 0.564 ' HD3' ' HA2' ' B' ' 23' ' ' GLY . 15.6 Cg_exo -68.76 -10.8 30.15 Favored 'Trans proline' 0 CA--C 1.529 0.252 0 C-N-CA 123.32 2.68 . . . . 0.0 114.015 -178.157 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 29' ' ' LYS . . . . . 0.711 ' HD2' ' HB2' ' B' ' 21' ' ' GLU . 78.6 tttt -103.03 -10.42 18.94 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.902 0.382 . . . . 0.0 111.131 -179.189 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 30' ' ' THR . . . . . 0.568 ' O ' HG21 ' C' ' 3' ' ' VAL . 34.8 m . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.543 -0.742 . . . . 0.0 109.911 179.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.657 0 N-CA-C 111.601 -0.6 . . . . 0.0 111.601 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' E' E ' 2' ' ' ILE . . . . . 0.48 HD13 HD12 ' F' ' 15' ' ' LEU . 13.4 tt -137.61 -38.26 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 111.784 0.29 . . . . 0.0 111.784 -179.577 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' E' E ' 3' ' ' VAL . . . . . 0.55 HG21 ' O ' ' F' ' 30' ' ' THR . 14.5 m -67.24 -50.17 65.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 120.516 -0.474 . . . . 0.0 112.262 -179.306 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' E' E ' 4' ' ' GLU . . . . . 0.404 ' OE1' HG22 ' E' ' 3' ' ' VAL . 3.8 mp0 -76.94 -8.17 56.89 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.8 0.333 . . . . 0.0 111.561 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -92.21 -36.32 13.33 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.746 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 6' ' ' CYS . . . . . . . . . . . . . 81.3 m -104.48 -34.86 8.09 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -178.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 7' ' ' CYS . . . . . 0.451 ' HB2' HD12 ' F' ' 11' ' ' LEU . 8.1 t -85.76 35.44 0.62 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.236 0.541 . . . . 0.0 110.741 -179.691 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' E' E ' 8' ' ' THR . . . . . 0.676 HG21 ' H ' ' E' ' 9' ' ' SER . 6.4 t -118.79 -63.6 1.38 Allowed 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 178.482 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' E' E ' 9' ' ' SER . . . . . 0.676 ' H ' HG21 ' E' ' 8' ' ' THR . 56.2 m -135.82 22.2 3.32 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 121.52 -0.738 . . . . 0.0 110.443 178.078 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' E' E ' 10' ' ' ILE . . . . . 0.76 HD13 HG13 ' J' ' 2' ' ' VAL . 2.6 mp 75.73 135.72 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 C-N-CA 123.591 0.756 . . . . 0.0 110.525 -178.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' E' E ' 11' ' ' CYS . . . . . . . . . . . . . 50.5 m -90.1 172.77 8.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.963 0.411 . . . . 0.0 111.081 179.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 12' ' ' SER . . . . . 0.582 ' HB3' ' HG3' ' E' ' 15' ' ' GLN . 47.1 t -86.54 152.27 22.77 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 177.504 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' E' E ' 13' ' ' LEU . . . . . 0.443 ' HG ' HG23 ' F' ' 18' ' ' VAL . 9.3 tt -59.49 -34.15 72.23 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.091 0.472 . . . . 0.0 110.123 -179.409 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -71.86 -31.59 66.62 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.04 179.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 15' ' ' GLN . . . . . 0.582 ' HG3' ' HB3' ' E' ' 12' ' ' SER . 86.0 mt-30 -69.86 -33.14 71.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.129 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' E' E ' 16' ' ' LEU . . . . . . . . . . . . . 75.6 mt -67.08 -29.16 68.85 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.849 0.357 . . . . 0.0 110.452 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 17' ' ' GLU . . . . . 0.67 ' HA ' ' SG ' ' E' ' 20' ' ' CYS . 65.9 tt0 -71.81 -12.68 61.41 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.17 0.509 . . . . 0.0 110.721 179.57 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' E' E ' 18' ' ' ASN . . . . . 0.491 ' HB2' ' O ' ' E' ' 15' ' ' GLN . 3.8 m120 -70.52 -16.82 62.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.209 178.614 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' E' E ' 19' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -106.75 7.15 30.23 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.268 -179.054 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 20' ' ' CYS . . . . . 0.67 ' SG ' ' HA ' ' E' ' 17' ' ' GLU . 84.6 m -75.98 83.02 2.86 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.686 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' E' E ' 21' ' ' ASN . . . . . 0.425 HD21 ' HA ' ' E' ' 21' ' ' ASN . 0.4 OUTLIER . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.316 -0.849 . . . . 0.0 111.124 178.616 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' F' F ' 1' ' ' PHE . . . . . . . . . . . . . 18.1 t80 . . . . . 0 N--CA 1.479 1.013 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' F' F ' 2' ' ' VAL . . . . . 0.879 ' HB ' HD13 ' F' ' 6' ' ' LEU . 13.2 m -65.34 102.62 0.42 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-O 121.392 0.615 . . . . 0.0 110.853 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' F' F ' 3' ' ' ASN . . . . . 0.542 ' O ' ' HB3' ' F' ' 7' ' ' CYS . 46.7 t30 -164.94 -68.88 0.04 OUTLIER 'General case' 0 C--O 1.212 -0.869 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.312 -179.299 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' F' F ' 4' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -53.66 -46.8 70.7 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.867 0.365 . . . . 0.0 111.754 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 5' ' ' HIS . . . . . . . . . . . . . 52.6 t60 -80.55 -3.15 49.13 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.5 0.556 . . . . 0.0 112.5 -178.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 6' ' ' LEU . . . . . 0.879 HD13 ' HB ' ' F' ' 2' ' ' VAL . 23.5 mt -115.17 -27.68 7.21 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.314 0.578 . . . . 0.0 110.726 179.598 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' F' F ' 7' ' ' CYS . . . . . 0.542 ' HB3' ' O ' ' F' ' 3' ' ' ASN . 0.0 OUTLIER -92.1 -36.68 13.2 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.12 -178.297 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' F' F ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.86 -33.48 60.17 Favored Glycine 0 C--N 1.334 0.46 0 C-N-CA 121.264 -0.494 . . . . 0.0 113.07 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 9' ' ' SER . . . . . 0.847 ' HB2' ' HG2' ' H' ' 13' ' ' GLU . 86.2 p -67.39 -12.65 60.76 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.951 0.405 . . . . 0.0 111.788 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' F' F ' 10' ' ' HIS . . . . . 0.674 ' HA ' ' HG3' ' F' ' 13' ' ' GLU . 99.0 m-70 -110.33 -16.05 13.81 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.886 -179.572 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' F' F ' 11' ' ' LEU . . . . . 0.451 HD12 ' HB2' ' E' ' 7' ' ' CYS . 19.8 mt -71.71 -31.76 67.07 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 177.699 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' F' F ' 12' ' ' VAL . . . . . 0.606 ' HA ' ' HB2' ' F' ' 15' ' ' LEU . 1.4 m -68.52 -28.01 38.64 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-N 114.927 -1.033 . . . . 0.0 111.071 179.003 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' F' F ' 13' ' ' GLU . . . . . 0.856 ' HG2' ' HB2' ' H' ' 9' ' ' SER . 18.8 mt-10 -61.53 -38.47 87.53 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 178.783 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' F' F ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.98 -30.14 39.65 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 114.955 -1.02 . . . . 0.0 110.392 178.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 15' ' ' LEU . . . . . 0.606 ' HB2' ' HA ' ' F' ' 12' ' ' VAL . 11.2 mt -59.79 -61.64 2.46 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.011 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' F' F ' 16' ' ' TYR . . . . . 0.983 ' HB3' ' HE2' ' F' ' 24' ' ' PHE . 2.4 p90 -73.51 -4.51 34.29 Favored 'General case' 0 C--N 1.333 -0.131 0 C-N-CA 119.877 -0.729 . . . . 0.0 110.819 -179.298 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' F' F ' 17' ' ' LEU . . . . . 0.459 HD21 ' C ' ' F' ' 17' ' ' LEU . 8.9 tt -77.98 -45.75 22.98 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 177.451 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . 0.443 HG23 ' HG ' ' E' ' 13' ' ' LEU . 85.4 t -73.5 -44.9 53.14 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.749 178.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' F' F ' 19' ' ' CYS . . . . . . . . . . . . . 77.6 m -66.5 -27.32 67.68 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.724 179.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.14 -102.58 0.8 Allowed Glycine 0 C--N 1.331 0.29 0 CA-C-N 115.985 -0.552 . . . . 0.0 112.706 179.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 21' ' ' GLU . . . . . 0.67 ' HB2' ' HD2' ' H' ' 29' ' ' LYS . 16.9 pt-20 -90.5 -13.29 34.99 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.095 0.474 . . . . 0.0 110.706 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' F' F ' 22' ' ' ARG . . . . . . . . . . . . . 85.6 mtm180 -78.55 140.21 38.55 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.245 179.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 23' ' ' GLY . . . . . 0.619 ' HA3' HG21 ' H' ' 27' ' ' THR . . . -84.87 -177.89 51.06 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.472 -0.87 . . . . 0.0 111.696 179.577 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' F' F ' 24' ' ' PHE . . . . . 0.983 ' HE2' ' HB3' ' F' ' 16' ' ' TYR . 13.8 p90 -154.98 167.39 30.5 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.17 0.51 . . . . 0.0 111.052 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' F' F ' 25' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -114.96 119.44 36.53 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 179.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 26' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -119.01 121.04 39.0 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.203 0.525 . . . . 0.0 111.592 -178.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 27' ' ' THR . . . . . 0.65 HG21 ' HA3' ' H' ' 23' ' ' GLY . 1.2 p -116.33 111.38 42.23 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 115.177 -0.92 . . . . 0.0 109.258 178.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' F' F ' 28' ' ' PRO . . . . . 0.582 ' HD3' ' HA2' ' H' ' 23' ' ' GLY . 16.4 Cg_exo -69.34 -11.2 30.84 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 123.341 2.694 . . . . 0.0 113.907 -177.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' F' F ' 29' ' ' LYS . . . . . 0.745 ' HD2' ' HB2' ' H' ' 21' ' ' GLU . 77.8 tttt -102.44 -12.56 17.76 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.821 -0.351 . . . . 0.0 110.737 -179.239 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' F' F ' 30' ' ' THR . . . . . 0.55 ' O ' HG21 ' E' ' 3' ' ' VAL . 26.5 m . . . . . 0 C--O 1.248 0.981 0 CA-C-O 118.68 -0.676 . . . . 0.0 110.088 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' G' G ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.438 0 N-CA-C 111.729 -0.548 . . . . 0.0 111.729 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' G' G ' 2' ' ' ILE . . . . . 0.505 HD13 HD12 ' H' ' 15' ' ' LEU . 13.4 tt -138.74 -38.91 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.87 0.335 . . . . 0.0 111.543 -179.553 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' G' G ' 3' ' ' VAL . . . . . 0.585 HG21 ' O ' ' H' ' 30' ' ' THR . 15.3 m -67.34 -49.51 71.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 C-N-CA 120.309 -0.557 . . . . 0.0 112.269 -179.206 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' G' G ' 4' ' ' GLU . . . . . 0.405 ' OE1' HG22 ' G' ' 3' ' ' VAL . 2.9 mp0 -77.05 -8.93 58.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 122.109 -0.369 . . . . 0.0 111.51 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' G' G ' 5' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -91.59 -36.81 13.46 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 120.966 0.412 . . . . 0.0 110.706 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' G' G ' 6' ' ' CYS . . . . . . . . . . . . . 84.0 m -103.69 -35.07 8.38 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 113.232 0.827 . . . . 0.0 113.232 -178.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' G' G ' 7' ' ' CYS . . . . . 0.452 ' HB2' HD12 ' H' ' 11' ' ' LEU . 8.0 t -85.68 36.26 0.65 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.385 0.612 . . . . 0.0 110.877 -179.749 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' G' G ' 8' ' ' THR . . . . . 0.702 HG21 ' H ' ' G' ' 9' ' ' SER . 5.8 t -119.37 -63.87 1.34 Allowed 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 178.458 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' G' G ' 9' ' ' SER . . . . . 0.702 ' H ' HG21 ' G' ' 8' ' ' THR . 54.9 m -136.48 24.17 3.18 Favored 'General case' 0 C--N 1.322 -0.595 0 O-C-N 121.684 -0.635 . . . . 0.0 110.46 177.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' G' G ' 10' ' ' ILE . . . . . 0.761 HD13 HG13 ' D' ' 2' ' ' VAL . 2.8 mp 74.11 137.32 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.682 -179.164 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' G' G ' 11' ' ' CYS . . . . . . . . . . . . . 47.3 m -91.82 173.65 7.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.249 0.547 . . . . 0.0 111.167 179.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' G' G ' 12' ' ' SER . . . . . 0.601 ' HB3' ' HG3' ' G' ' 15' ' ' GLN . 38.1 t -87.06 150.51 23.97 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 177.649 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' G' G ' 13' ' ' LEU . . . . . 0.43 ' HG ' HG23 ' H' ' 18' ' ' VAL . 9.1 tt -58.3 -33.98 70.05 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.053 0.454 . . . . 0.0 110.127 -179.697 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -72.65 -30.0 63.93 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.248 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' G' G ' 15' ' ' GLN . . . . . 0.601 ' HG3' ' HB3' ' G' ' 12' ' ' SER . 86.9 mt-30 -71.54 -32.53 68.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.985 179.805 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' G' G ' 16' ' ' LEU . . . . . . . . . . . . . 77.6 mt -67.47 -28.92 68.27 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.379 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' G' G ' 17' ' ' GLU . . . . . 0.659 ' HA ' ' SG ' ' G' ' 20' ' ' CYS . 63.3 tt0 -71.83 -14.04 61.86 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-O 121.086 0.47 . . . . 0.0 110.599 179.551 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' G' G ' 18' ' ' ASN . . . . . 0.495 ' HB2' ' O ' ' G' ' 15' ' ' GLN . 3.7 m120 -68.46 -18.58 64.44 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.173 178.531 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' G' G ' 19' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -105.13 6.41 33.13 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.327 -178.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' G' G ' 20' ' ' CYS . . . . . 0.659 ' SG ' ' HA ' ' G' ' 17' ' ' GLU . 88.1 m -74.59 82.76 2.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.837 0.351 . . . . 0.0 111.932 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' G' G ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.073 -0.965 . . . . 0.0 110.839 178.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' H' H ' 1' ' ' PHE . . . . . . . . . . . . . 18.3 t80 . . . . . 0 N--CA 1.482 1.126 0 N-CA-C 110.013 -0.365 . . . . 0.0 110.013 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' H' H ' 2' ' ' VAL . . . . . 0.879 ' HB ' HD13 ' H' ' 6' ' ' LEU . 13.7 m -64.39 102.22 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.13 0 CA-C-O 121.315 0.579 . . . . 0.0 110.847 179.58 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' H' H ' 3' ' ' ASN . . . . . 0.55 ' O ' ' HB3' ' H' ' 7' ' ' CYS . 45.6 t30 -165.14 -68.23 0.03 OUTLIER 'General case' 0 C--O 1.212 -0.875 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.265 -179.277 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' H' H ' 4' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -54.3 -46.1 72.69 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.856 0.36 . . . . 0.0 111.75 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' H' H ' 5' ' ' HIS . . . . . . . . . . . . . 51.1 t60 -81.7 -2.41 50.39 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -178.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' H' H ' 6' ' ' LEU . . . . . 0.879 HD13 ' HB ' ' H' ' 2' ' ' VAL . 24.6 mt -115.61 -27.35 7.14 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.186 0.517 . . . . 0.0 110.649 179.539 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' H' H ' 7' ' ' CYS . . . . . 0.55 ' HB3' ' O ' ' H' ' 3' ' ' ASN . 0.0 OUTLIER -92.5 -36.6 12.98 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.993 -178.408 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' H' H ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.53 -33.97 59.59 Favored Glycine 0 C--N 1.333 0.409 0 C-N-CA 121.234 -0.507 . . . . 0.0 113.061 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' H' H ' 9' ' ' SER . . . . . 0.856 ' HB2' ' HG2' ' F' ' 13' ' ' GLU . 88.6 p -67.32 -12.21 59.58 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.898 0.38 . . . . 0.0 111.899 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' H' H ' 10' ' ' HIS . . . . . 0.669 ' HA ' ' HG3' ' H' ' 13' ' ' GLU . 98.9 m-70 -110.76 -15.66 13.77 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.777 -179.529 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' H' H ' 11' ' ' LEU . . . . . 0.452 HD12 ' HB2' ' G' ' 7' ' ' CYS . 20.3 mt -72.23 -31.6 65.98 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 177.661 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' H' H ' 12' ' ' VAL . . . . . 0.632 ' HA ' ' HB2' ' H' ' 15' ' ' LEU . 1.4 m -68.97 -27.74 36.73 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.19 178.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' H' H ' 13' ' ' GLU . . . . . 0.847 ' HG2' ' HB2' ' F' ' 9' ' ' SER . 17.9 mt-10 -61.53 -38.84 88.88 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 178.562 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' H' H ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.58 -30.76 41.69 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 114.885 -1.052 . . . . 0.0 110.463 178.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' H' H ' 15' ' ' LEU . . . . . 0.632 ' HB2' ' HA ' ' H' ' 12' ' ' VAL . 11.0 mt -59.44 -61.76 2.39 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.899 -0.591 . . . . 0.0 112.052 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' H' H ' 16' ' ' TYR . . . . . 0.948 ' HB3' ' HE2' ' H' ' 24' ' ' PHE . 2.3 p90 -73.23 -4.97 36.34 Favored 'General case' 0 C--O 1.227 -0.117 0 C-N-CA 119.817 -0.753 . . . . 0.0 110.886 -179.293 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' H' H ' 17' ' ' LEU . . . . . 0.463 ' HB2' ' O ' ' H' ' 13' ' ' GLU . 9.1 tt -77.48 -46.29 22.95 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 177.584 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . 0.43 HG23 ' HG ' ' G' ' 13' ' ' LEU . 86.7 t -73.31 -42.67 57.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.961 178.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' H' H ' 19' ' ' CYS . . . . . . . . . . . . . 76.0 m -69.32 -26.39 64.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.481 179.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' H' H ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.38 -102.4 0.73 Allowed Glycine 0 C--N 1.33 0.214 0 CA-C-N 116.067 -0.515 . . . . 0.0 112.825 179.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' H' H ' 21' ' ' GLU . . . . . 0.745 ' HB2' ' HD2' ' F' ' 29' ' ' LYS . 14.9 pt-20 -90.71 -13.59 33.82 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.035 0.445 . . . . 0.0 110.341 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' H' H ' 22' ' ' ARG . . . . . . . . . . . . . 85.2 mtm180 -78.12 138.98 39.01 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.285 179.152 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' H' H ' 23' ' ' GLY . . . . . 0.65 ' HA3' HG21 ' F' ' 27' ' ' THR . . . -83.6 -178.42 51.95 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.726 -0.75 . . . . 0.0 111.623 179.57 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' H' H ' 24' ' ' PHE . . . . . 0.948 ' HE2' ' HB3' ' H' ' 16' ' ' TYR . 15.7 p90 -154.76 167.65 29.51 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.982 0.42 . . . . 0.0 111.135 179.537 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' H' H ' 25' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -114.81 119.77 37.75 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 179.386 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' H' H ' 26' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -119.33 120.86 38.17 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.117 0.484 . . . . 0.0 111.812 -178.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' H' H ' 27' ' ' THR . . . . . 0.619 HG21 ' HA3' ' F' ' 23' ' ' GLY . 1.2 p -116.13 110.6 43.35 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.368 179.184 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' H' H ' 28' ' ' PRO . . . . . 0.542 ' HD3' ' HA2' ' F' ' 23' ' ' GLY . 16.1 Cg_exo -68.56 -11.38 31.77 Favored 'Trans proline' 0 CA--C 1.528 0.211 0 C-N-CA 123.295 2.663 . . . . 0.0 113.836 -178.173 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' H' H ' 29' ' ' LYS . . . . . 0.67 ' HD2' ' HB2' ' F' ' 21' ' ' GLU . 77.5 tttt -102.02 -11.96 18.52 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.89 0.376 . . . . 0.0 110.937 -179.306 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' H' H ' 30' ' ' THR . . . . . 0.585 ' O ' HG21 ' G' ' 3' ' ' VAL . 50.6 m . . . . . 0 C--O 1.251 1.17 0 CA-C-O 118.438 -0.791 . . . . 0.0 110.526 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' I' I ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.795 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' I' I ' 2' ' ' ILE . . . . . 0.498 HD13 HD12 ' J' ' 15' ' ' LEU . 13.3 tt -138.87 -38.27 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 O-C-N 122.66 -0.318 . . . . 0.0 111.728 -179.637 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' I' I ' 3' ' ' VAL . . . . . 0.578 HG21 ' O ' ' J' ' 30' ' ' THR . 15.5 m -67.89 -49.77 65.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 120.407 -0.517 . . . . 0.0 112.064 -179.106 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' I' I ' 4' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -76.68 -8.74 57.85 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.483 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' I' I ' 5' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -91.72 -37.47 12.99 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.757 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' I' I ' 6' ' ' CYS . . . . . . . . . . . . . 87.6 m -103.19 -34.87 8.67 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 -178.039 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' I' I ' 7' ' ' CYS . . . . . 0.459 ' HB2' HD12 ' J' ' 11' ' ' LEU . 7.9 t -85.73 35.58 0.63 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.231 0.539 . . . . 0.0 110.78 -179.568 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' I' I ' 8' ' ' THR . . . . . 0.658 HG21 ' H ' ' I' ' 9' ' ' SER . 5.0 t -118.72 -63.8 1.36 Allowed 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 178.34 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' I' I ' 9' ' ' SER . . . . . 0.658 ' H ' HG21 ' I' ' 8' ' ' THR . 40.5 m -134.81 20.08 3.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 121.662 -0.649 . . . . 0.0 110.586 178.279 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' I' I ' 10' ' ' ILE . . . . . 0.765 HD13 HG13 ' B' ' 2' ' ' VAL . 2.6 mp 77.42 137.5 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 123.532 0.733 . . . . 0.0 110.2 -178.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' I' I ' 11' ' ' CYS . . . . . . . . . . . . . 55.0 m -92.47 172.17 8.56 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.322 0.582 . . . . 0.0 111.128 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' I' I ' 12' ' ' SER . . . . . 0.542 ' HB3' ' HG3' ' I' ' 15' ' ' GLN . 41.1 t -85.58 151.37 23.96 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 177.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' I' I ' 13' ' ' LEU . . . . . 0.41 ' HG ' HG23 ' J' ' 18' ' ' VAL . 9.2 tt -58.85 -33.31 70.29 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.139 0.495 . . . . 0.0 110.361 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -72.96 -31.61 64.67 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.002 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' I' I ' 15' ' ' GLN . . . . . 0.542 ' HG3' ' HB3' ' I' ' 12' ' ' SER . 88.3 mt-30 -69.73 -33.33 72.32 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.197 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' I' I ' 16' ' ' LEU . . . . . . . . . . . . . 77.7 mt -66.48 -29.43 69.54 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.863 0.363 . . . . 0.0 110.58 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' I' I ' 17' ' ' GLU . . . . . 0.675 ' HA ' ' SG ' ' I' ' 20' ' ' CYS . 62.9 tt0 -71.59 -14.08 61.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.623 179.594 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' I' I ' 18' ' ' ASN . . . . . 0.499 ' HB2' ' O ' ' I' ' 15' ' ' GLN . 3.6 m120 -69.29 -16.03 63.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.135 0.493 . . . . 0.0 110.276 178.555 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' I' I ' 19' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -107.92 7.81 28.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.069 -179.11 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' I' I ' 20' ' ' CYS . . . . . 0.675 ' SG ' ' HA ' ' I' ' 17' ' ' GLU . 85.9 m -76.38 82.36 3.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.115 0.483 . . . . 0.0 111.687 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' I' I ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.25 1.124 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.606 178.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' J' J ' 1' ' ' PHE . . . . . . . . . . . . . 21.6 t80 . . . . . 0 N--CA 1.48 1.068 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' J' J ' 2' ' ' VAL . . . . . 0.872 ' HB ' HD13 ' J' ' 6' ' ' LEU . 13.0 m -66.75 102.61 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 CA-C-O 121.435 0.636 . . . . 0.0 110.328 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' J' J ' 3' ' ' ASN . . . . . 0.523 ' O ' ' HB3' ' J' ' 7' ' ' CYS . 46.0 t30 -165.28 -69.39 0.03 OUTLIER 'General case' 0 C--O 1.214 -0.798 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.019 -179.047 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' J' J ' 4' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -53.33 -46.19 69.36 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.945 0.403 . . . . 0.0 111.906 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' J' J ' 5' ' ' HIS . . . . . . . . . . . . . 51.6 t60 -81.17 -3.31 51.77 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -178.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' J' J ' 6' ' ' LEU . . . . . 0.872 HD13 ' HB ' ' J' ' 2' ' ' VAL . 23.6 mt -115.11 -27.37 7.34 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.218 0.532 . . . . 0.0 110.839 179.736 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' J' J ' 7' ' ' CYS . . . . . 0.523 ' HB3' ' O ' ' J' ' 3' ' ' ASN . 0.0 OUTLIER -92.35 -36.6 13.08 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.075 -178.492 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' J' J ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.36 -34.31 59.3 Favored Glycine 0 C--N 1.334 0.443 0 C-N-CA 121.296 -0.478 . . . . 0.0 113.138 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' J' J ' 9' ' ' SER . . . . . 0.873 ' HB2' ' HG2' ' L' ' 13' ' ' GLU . 86.7 p -67.21 -12.32 59.76 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.955 0.407 . . . . 0.0 111.98 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' J' J ' 10' ' ' HIS . . . . . 0.677 ' HA ' ' HG3' ' J' ' 13' ' ' GLU . 99.0 m-70 -110.36 -15.94 13.83 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.816 0.341 . . . . 0.0 110.853 -179.59 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' J' J ' 11' ' ' LEU . . . . . 0.459 HD12 ' HB2' ' I' ' 7' ' ' CYS . 20.0 mt -72.12 -31.99 66.55 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 107.934 -1.135 . . . . 0.0 107.934 177.525 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' J' J ' 12' ' ' VAL . . . . . 0.634 ' HA ' ' HB2' ' J' ' 15' ' ' LEU . 1.4 m -68.15 -28.14 39.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 114.889 -1.05 . . . . 0.0 111.136 178.775 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' J' J ' 13' ' ' GLU . . . . . 0.868 ' HG2' ' HB2' ' L' ' 9' ' ' SER . 18.2 mt-10 -61.58 -38.15 86.51 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 178.666 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' J' J ' 14' ' ' ALA . . . . . . . . . . . . . . . -80.18 -30.97 38.86 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.333 178.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' J' J ' 15' ' ' LEU . . . . . 0.634 ' HB2' ' HA ' ' J' ' 12' ' ' VAL . 11.0 mt -59.21 -61.69 2.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.824 -0.625 . . . . 0.0 112.06 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' J' J ' 16' ' ' TYR . . . . . 0.979 ' HB3' ' HE2' ' J' ' 24' ' ' PHE . 2.3 p90 -73.7 -4.07 32.19 Favored 'General case' 0 C--O 1.227 -0.111 0 C-N-CA 119.803 -0.759 . . . . 0.0 110.804 -179.196 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' J' J ' 17' ' ' LEU . . . . . 0.468 ' HB2' ' O ' ' J' ' 13' ' ' GLU . 8.9 tt -78.31 -45.97 21.32 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 177.538 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' J' J ' 18' ' ' VAL . . . . . 0.41 HG23 ' HG ' ' I' ' 13' ' ' LEU . 87.5 t -73.06 -44.03 57.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.285 -0.871 . . . . 0.0 109.889 178.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' J' J ' 19' ' ' CYS . . . . . . . . . . . . . 77.9 m -67.63 -27.3 66.76 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.6 179.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' J' J ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.11 -101.99 0.73 Allowed Glycine 0 C--N 1.33 0.218 0 CA-C-N 116.078 -0.51 . . . . 0.0 112.991 179.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' J' J ' 21' ' ' GLU . . . . . 0.683 ' HB2' ' HD2' ' L' ' 29' ' ' LYS . 17.6 pt-20 -91.14 -13.66 32.58 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.863 0.364 . . . . 0.0 110.306 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' J' J ' 22' ' ' ARG . . . . . . . . . . . . . 86.7 mtm180 -78.59 140.03 38.52 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.188 179.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' J' J ' 23' ' ' GLY . . . . . 0.634 ' HA3' HG21 ' L' ' 27' ' ' THR . . . -84.23 -177.53 51.37 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.571 -0.823 . . . . 0.0 111.75 179.563 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' J' J ' 24' ' ' PHE . . . . . 0.979 ' HE2' ' HB3' ' J' ' 16' ' ' TYR . 15.3 p90 -155.23 167.77 29.25 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.045 0.45 . . . . 0.0 110.926 179.554 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' J' J ' 25' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -114.86 121.05 42.04 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 179.266 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' J' J ' 26' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -120.68 120.36 35.47 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.085 0.469 . . . . 0.0 111.591 -178.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' J' J ' 27' ' ' THR . . . . . 0.633 HG21 ' HA3' ' L' ' 23' ' ' GLY . 1.2 p -115.68 110.68 44.26 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.432 179.01 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' J' J ' 28' ' ' PRO . . . . . 0.548 ' HD3' ' HA2' ' L' ' 23' ' ' GLY . 16.5 Cg_exo -68.4 -11.35 31.7 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 123.205 2.604 . . . . 0.0 113.869 -178.07 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' J' J ' 29' ' ' LYS . . . . . 0.675 ' HD2' ' HB2' ' L' ' 21' ' ' GLU . 78.0 tttt -101.9 -13.12 17.77 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.777 0.322 . . . . 0.0 110.844 -179.181 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' J' J ' 30' ' ' THR . . . . . 0.578 ' O ' HG21 ' I' ' 3' ' ' VAL . 28.0 m . . . . . 0 C--O 1.25 1.12 0 CA-C-O 118.529 -0.748 . . . . 0.0 110.386 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.647 0 N-CA-C 112.088 -0.405 . . . . 0.0 112.088 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' K' K ' 2' ' ' ILE . . . . . 0.5 HD13 HD12 ' L' ' 15' ' ' LEU . 13.7 tt -140.92 -37.69 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' K' K ' 3' ' ' VAL . . . . . . . . . . . . . 15.1 m -68.35 -49.0 70.46 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -179.168 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' K' K ' 4' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -77.44 -9.77 59.07 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.867 -0.333 . . . . 0.0 111.446 179.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' K' K ' 5' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -90.79 -36.61 14.15 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.789 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' K' K ' 6' ' ' CYS . . . . . . . . . . . . . 90.3 m -104.41 -33.95 8.43 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 113.256 0.835 . . . . 0.0 113.256 -177.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' K' K ' 7' ' ' CYS . . . . . 0.474 ' HB2' HD12 ' L' ' 11' ' ' LEU . 8.5 t -86.57 35.91 0.68 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.184 0.516 . . . . 0.0 110.719 -179.668 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' K' K ' 8' ' ' THR . . . . . 0.615 HG21 ' H ' ' K' ' 9' ' ' SER . 5.6 t -119.54 -61.52 1.61 Allowed 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 178.505 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' K' K ' 9' ' ' SER . . . . . 0.615 ' H ' HG21 ' K' ' 8' ' ' THR . 49.9 m -137.47 22.06 2.94 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 121.766 -0.584 . . . . 0.0 110.611 178.142 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' K' K ' 10' ' ' ILE . . . . . 0.761 HD13 HG13 ' H' ' 2' ' ' VAL . 2.7 mp 75.72 137.46 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 C-N-CA 123.611 0.764 . . . . 0.0 110.309 -178.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' K' K ' 11' ' ' CYS . . . . . . . . . . . . . 51.4 m -92.68 172.73 8.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.312 0.577 . . . . 0.0 111.124 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' K' K ' 12' ' ' SER . . . . . 0.58 ' HB3' ' HG3' ' K' ' 15' ' ' GLN . 40.4 t -85.82 150.44 24.55 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 177.632 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' K' K ' 13' ' ' LEU . . . . . 0.421 ' HG ' HG23 ' L' ' 18' ' ' VAL . 9.3 tt -58.59 -33.09 69.59 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.102 0.477 . . . . 0.0 110.259 -179.791 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -73.14 -31.07 64.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.944 179.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' K' K ' 15' ' ' GLN . . . . . 0.58 ' HG3' ' HB3' ' K' ' 12' ' ' SER . 87.9 mt-30 -70.1 -33.82 72.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.875 0.369 . . . . 0.0 111.054 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' K' K ' 16' ' ' LEU . . . . . . . . . . . . . 77.8 mt -66.32 -29.15 69.29 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.886 0.374 . . . . 0.0 110.624 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' K' K ' 17' ' ' GLU . . . . . 0.676 ' HA ' ' SG ' ' K' ' 20' ' ' CYS . 64.5 tt0 -71.67 -13.47 61.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.547 179.555 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' K' K ' 18' ' ' ASN . . . . . 0.491 ' HB2' ' O ' ' K' ' 15' ' ' GLN . 3.6 m120 -69.73 -16.58 63.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.327 178.698 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' K' K ' 19' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -106.75 5.39 28.63 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.226 -178.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' K' K ' 20' ' ' CYS . . . . . 0.676 ' SG ' ' HA ' ' K' ' 17' ' ' GLU . 84.9 m -74.08 84.22 1.8 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.795 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' K' K ' 21' ' ' ASN . . . . . 0.424 HD21 ' HA ' ' K' ' 21' ' ' ASN . 0.4 OUTLIER . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.195 -0.907 . . . . 0.0 111.458 178.621 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' L' L ' 1' ' ' PHE . . . . . . . . . . . . . 19.3 t80 . . . . . 0 N--CA 1.48 1.073 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' L' L ' 2' ' ' VAL . . . . . 0.903 ' HB ' HD13 ' L' ' 6' ' ' LEU . 13.3 m -65.56 102.27 0.42 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 CA-C-O 121.334 0.588 . . . . 0.0 110.724 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' L' L ' 3' ' ' ASN . . . . . 0.537 ' O ' ' HB3' ' L' ' 7' ' ' CYS . 45.3 t30 -165.34 -69.01 0.03 OUTLIER 'General case' 0 C--O 1.215 -0.745 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.025 -179.289 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' L' L ' 4' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -53.21 -46.16 68.94 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.879 0.371 . . . . 0.0 111.935 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' L' L ' 5' ' ' HIS . . . . . . . . . . . . . 54.0 t60 -81.79 -2.99 52.78 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -178.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' L' L ' 6' ' ' LEU . . . . . 0.903 HD13 ' HB ' ' L' ' 2' ' ' VAL . 23.3 mt -115.25 -27.29 7.31 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.199 0.523 . . . . 0.0 110.751 179.641 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' L' L ' 7' ' ' CYS . . . . . 0.537 ' HB3' ' O ' ' L' ' 3' ' ' ASN . 0.0 OUTLIER -92.42 -36.39 13.15 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.136 -178.417 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' L' L ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.34 -34.4 59.33 Favored Glycine 0 C--N 1.336 0.544 0 CA-C-N 116.231 -0.44 . . . . 0.0 113.195 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' L' L ' 9' ' ' SER . . . . . 0.868 ' HB2' ' HG2' ' J' ' 13' ' ' GLU . 85.3 p -67.32 -12.35 59.93 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.861 0.363 . . . . 0.0 111.803 -179.693 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' L' L ' 10' ' ' HIS . . . . . 0.681 ' HA ' ' HG3' ' L' ' 13' ' ' GLU . 99.0 m-70 -110.39 -15.89 13.83 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.709 0.29 . . . . 0.0 110.902 -179.524 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' L' L ' 11' ' ' LEU . . . . . 0.474 HD12 ' HB2' ' K' ' 7' ' ' CYS . 20.0 mt -71.98 -32.21 67.02 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 107.818 -1.178 . . . . 0.0 107.818 177.687 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' L' L ' 12' ' ' VAL . . . . . 0.622 ' HA ' ' HB2' ' L' ' 15' ' ' LEU . 1.6 m -68.21 -28.25 40.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 CA-C-N 114.962 -1.017 . . . . 0.0 111.176 178.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' L' L ' 13' ' ' GLU . . . . . 0.873 ' HG2' ' HB2' ' J' ' 9' ' ' SER . 18.1 mt-10 -61.31 -38.38 86.64 Favored 'General case' 0 CA--C 1.52 -0.181 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 178.799 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' L' L ' 14' ' ' ALA . . . . . . . . . . . . . . . -80.19 -30.47 38.73 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 114.92 -1.037 . . . . 0.0 110.417 178.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' L' L ' 15' ' ' LEU . . . . . 0.622 ' HB2' ' HA ' ' L' ' 12' ' ' VAL . 10.8 mt -59.61 -61.79 2.36 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.887 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' L' L ' 16' ' ' TYR . . . . . 0.947 ' HB3' ' HE2' ' L' ' 24' ' ' PHE . 2.3 p90 -73.39 -4.52 33.98 Favored 'General case' 0 C--N 1.334 -0.084 0 C-N-CA 119.892 -0.723 . . . . 0.0 110.921 -179.371 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' L' L ' 17' ' ' LEU . . . . . 0.478 ' HB2' ' O ' ' L' ' 13' ' ' GLU . 9.1 tt -78.02 -45.9 22.43 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 177.585 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' L' L ' 18' ' ' VAL . . . . . 0.421 HG23 ' HG ' ' K' ' 13' ' ' LEU . 88.4 t -73.43 -44.38 54.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.155 -0.93 . . . . 0.0 109.838 178.775 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' L' L ' 19' ' ' CYS . . . . . . . . . . . . . 74.8 m -66.68 -28.05 68.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.694 179.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' L' L ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.87 -101.95 0.78 Allowed Glycine 0 N--CA 1.452 -0.299 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.776 179.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' L' L ' 21' ' ' GLU . . . . . 0.675 ' HB2' ' HD2' ' J' ' 29' ' ' LYS . 17.4 pt-20 -91.34 -13.43 32.55 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.003 0.43 . . . . 0.0 110.482 179.781 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' L' L ' 22' ' ' ARG . . . . . . . . . . . . . 85.8 mtm180 -78.67 139.5 38.5 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.161 179.053 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' L' L ' 23' ' ' GLY . . . . . 0.633 ' HA3' HG21 ' J' ' 27' ' ' THR . . . -83.78 -178.18 51.77 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.844 -0.693 . . . . 0.0 111.735 179.573 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' L' L ' 24' ' ' PHE . . . . . 0.947 ' HE2' ' HB3' ' L' ' 16' ' ' TYR . 15.4 p90 -154.91 167.45 30.27 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.073 0.463 . . . . 0.0 110.828 179.501 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' L' L ' 25' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -114.25 121.2 42.98 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 179.296 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' L' L ' 26' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -120.87 120.12 34.61 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.169 0.509 . . . . 0.0 111.64 -178.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' L' L ' 27' ' ' THR . . . . . 0.634 HG21 ' HA3' ' J' ' 23' ' ' GLY . 1.3 p -115.32 111.49 44.4 Favored Pre-proline 0 C--N 1.321 -0.668 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.342 179.027 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' L' L ' 28' ' ' PRO . . . . . 0.565 ' HD3' ' HA2' ' J' ' 23' ' ' GLY . 15.6 Cg_exo -69.62 -10.68 29.29 Favored 'Trans proline' 0 N--CA 1.473 0.265 0 C-N-CA 123.182 2.588 . . . . 0.0 113.797 -178.096 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' L' L ' 29' ' ' LYS . . . . . 0.683 ' HD2' ' HB2' ' J' ' 21' ' ' GLU . 78.8 tttt . . . . . 0 C--N 1.322 -0.598 0 CA-C-O 120.852 0.358 . . . . 0.0 110.985 -179.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.823 0 N-CA-C 112.026 -0.43 . . . . 0.0 112.026 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.688 HD12 ' HE1' ' B' ' 26' ' ' TYR . 10.7 tt -167.63 -25.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 120.836 0.35 . . . . 0.0 110.668 179.509 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.804 HG23 ' HG3' ' B' ' 4' ' ' GLN . 40.0 t -59.59 -75.07 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.518 -0.252 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.139 -179.664 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -59.2 -32.94 70.39 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.3 0.571 . . . . 0.0 110.974 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.429 ' HG2' ' SG ' ' A' ' 11' ' ' CYS . 33.3 tt0 -62.79 -47.75 82.11 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.195 -0.911 . . . . 0.0 112.775 -179.159 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 80.6 m -101.04 -27.31 13.34 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 -177.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 11.9 t -77.95 -2.2 35.73 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 122.093 -0.38 . . . . 0.0 111.121 -178.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.3 t -82.76 -44.52 15.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.023 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.412 ' HA ' ' O ' ' F' ' 2' ' ' VAL . 11.5 p -163.95 27.31 0.08 Allowed 'General case' 0 C--O 1.234 0.282 0 N-CA-C 111.585 0.217 . . . . 0.0 111.585 -179.646 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.677 HD12 ' HB3' ' F' ' 3' ' ' ASN . 1.7 mp 69.71 135.34 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 179.229 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.554 ' HB3' ' HG2' ' A' ' 15' ' ' GLN . 98.3 m -93.46 157.47 16.2 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.883 -1.053 . . . . 0.0 109.572 178.391 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.9 m -72.64 167.92 19.76 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.731 0.301 . . . . 0.0 111.026 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.415 ' C ' HD21 ' A' ' 13' ' ' LEU . 8.8 tt -56.31 -52.93 62.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 112.014 -178.507 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -64.05 -25.4 68.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.766 0.317 . . . . 0.0 111.452 -179.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.554 ' HG2' ' HB3' ' A' ' 11' ' ' CYS . 4.5 tp-100 -65.99 -37.82 86.93 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.209 0.528 . . . . 0.0 110.016 179.118 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.537 HD21 HD22 ' B' ' 15' ' ' LEU . 70.7 mt -72.92 -29.81 63.41 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.428 -0.806 . . . . 0.0 111.519 -179.483 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.404 ' O ' ' HB2' ' A' ' 20' ' ' CYS . 76.7 tt0 -60.46 -23.65 64.62 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-O 120.967 0.413 . . . . 0.0 111.265 -179.557 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 74.4 m-80 -64.71 -16.38 62.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.333 179.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -106.57 13.45 28.27 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.055 0.455 . . . . 0.0 111.171 -178.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 17' ' ' GLU . 1.1 m -85.12 160.53 19.93 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.392 179.689 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.246 0.872 0 CA-C-O 118.321 -0.847 . . . . 0.0 109.476 179.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . 0.469 ' O ' HG21 ' B' ' 2' ' ' VAL . 56.7 t80 . . . . . 0 N--CA 1.481 1.093 0 CA-C-O 120.559 0.219 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . 0.469 HG21 ' O ' ' B' ' 1' ' ' PHE . 33.5 m 46.0 -139.73 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 C-N-CA 123.949 0.9 . . . . 0.0 112.365 -179.132 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . 0.706 ' HB3' HD12 ' I' ' 10' ' ' ILE . 14.8 t-20 -160.22 169.47 23.17 Favored 'General case' 0 C--O 1.237 0.437 0 O-C-N 122.234 -0.291 . . . . 0.0 111.018 -177.547 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . 0.804 ' HG3' HG23 ' A' ' 3' ' ' VAL . 4.7 tt0 -46.26 -36.74 6.45 Favored 'General case' 0 N--CA 1.463 0.198 0 C-N-CA 124.374 1.07 . . . . 0.0 110.827 177.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . 0.553 ' CE1' ' HA ' ' D' ' 17' ' ' LEU . 80.6 t60 -57.79 -17.54 16.47 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 114.754 -1.112 . . . . 0.0 112.914 -179.42 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.539 HD13 HD13 ' I' ' 10' ' ' ILE . 12.9 mt -117.38 -47.92 2.63 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . 0.403 ' O ' ' HG ' ' B' ' 11' ' ' LEU . 47.5 t -62.04 -43.38 98.97 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.785 0.326 . . . . 0.0 110.846 -179.013 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.64 -29.67 74.42 Favored Glycine 0 C--N 1.332 0.329 0 C-N-CA 121.018 -0.611 . . . . 0.0 112.544 179.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' SER . . . . . 0.455 ' HB3' ' HG2' ' D' ' 13' ' ' GLU . 5.1 m -66.65 -4.22 8.28 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 122.519 0.328 . . . . 0.0 111.705 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -123.03 -14.68 7.53 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.94 -0.304 . . . . 0.0 111.567 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' B' ' 7' ' ' CYS . 30.7 mt -72.97 -17.9 61.42 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 177.756 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.653 HG22 HG22 ' D' ' 12' ' ' VAL . 6.3 m -66.46 -39.03 83.01 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 CA-C-N 114.537 -1.211 . . . . 0.0 110.232 178.127 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.469 ' HG2' ' HB3' ' D' ' 9' ' ' SER . 25.8 mt-10 -61.0 -34.69 75.2 Favored 'General case' 0 CA--C 1.52 -0.209 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 179.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.37 -50.28 68.32 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.206 -0.907 . . . . 0.0 109.957 178.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.537 HD22 HD21 ' A' ' 16' ' ' LEU . 42.8 mt -61.65 -43.55 98.65 Favored 'General case' 0 C--O 1.226 -0.183 0 CA-C-O 121.521 0.676 . . . . 0.0 109.54 178.635 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . 0.56 ' CD2' ' HE2' ' B' ' 24' ' ' PHE . 0.6 OUTLIER -57.15 -48.02 79.74 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.499 -1.228 . . . . 0.0 111.667 -179.125 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.555 ' HA ' ' CE1' ' D' ' 5' ' ' HIS . 1.9 mm? -59.23 -42.6 91.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.944 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 46.9 t -75.61 -32.3 24.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.703 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . 0.421 ' HB2' ' O ' ' B' ' 15' ' ' LEU . 0.1 OUTLIER -85.5 4.2 36.86 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -178.642 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.96 -114.34 6.27 Favored Glycine 0 CA--C 1.517 0.191 0 C-N-CA 121.115 -0.564 . . . . 0.0 112.754 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -124.81 22.31 8.16 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.981 0.42 . . . . 0.0 110.506 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 36.8 ttm105 -80.22 -43.37 21.57 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.187 0.518 . . . . 0.0 110.691 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 110.27 170.32 19.8 Favored Glycine 0 N--CA 1.446 -0.676 0 N-CA-C 110.59 -1.004 . . . . 0.0 110.59 -178.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . 0.631 ' HZ ' ' HB ' ' B' ' 12' ' ' VAL . 51.0 p90 -153.46 -177.38 6.31 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.294 0.568 . . . . 0.0 110.866 -179.491 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 7.2 p90 -124.2 139.44 53.92 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 178.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.688 ' HE1' HD12 ' A' ' 2' ' ' ILE . 16.7 t80 -132.5 87.55 2.43 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 119.632 -0.827 . . . . 0.0 111.818 -178.608 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 9.5 m -116.66 83.67 14.23 Favored Pre-proline 0 C--N 1.315 -0.909 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 177.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -78.76 -4.31 13.94 Favored 'Trans proline' 0 N--CA 1.459 -0.54 0 C-N-CA 122.89 2.393 . . . . 0.0 112.946 -177.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 55.5 tttm -61.7 105.32 0.53 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.038 179.27 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 10.7 m . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.837 -0.601 . . . . 0.0 109.809 -179.287 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.734 0 N-CA-C 111.609 -0.596 . . . . 0.0 111.609 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' C' C ' 2' ' ' ILE . . . . . 0.661 HD12 ' HE1' ' D' ' 26' ' ' TYR . 10.8 tt -169.95 -26.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 120.715 0.293 . . . . 0.0 110.609 179.764 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 3' ' ' VAL . . . . . 0.778 HG23 ' HG3' ' D' ' 4' ' ' GLN . 41.5 t -59.74 -75.31 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.226 -0.171 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.135 -179.593 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -59.39 -33.01 70.69 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.2 0.524 . . . . 0.0 110.799 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 5' ' ' GLN . . . . . 0.417 ' HG2' ' SG ' ' C' ' 11' ' ' CYS . 33.9 tt0 -62.15 -47.58 83.88 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.511 -0.768 . . . . 0.0 112.921 -179.288 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 85.9 m -101.36 -27.51 13.12 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 113.665 0.987 . . . . 0.0 113.665 -177.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 7' ' ' CYS . . . . . . . . . . . . . 11.1 t -77.58 -1.39 30.51 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.866 -0.334 . . . . 0.0 111.209 -179.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 13.7 t -84.03 -42.77 15.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.796 -0.184 . . . . 0.0 111.319 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 9' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' L' ' 2' ' ' VAL . 13.1 p -165.01 26.95 0.06 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.629 0.252 . . . . 0.0 111.677 -179.754 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . 0.659 HD12 ' HB3' ' L' ' 3' ' ' ASN . 1.7 mp 69.28 134.4 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 178.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 11' ' ' CYS . . . . . 0.561 ' HB3' ' HG2' ' C' ' 15' ' ' GLN . 97.4 m -92.05 159.0 15.92 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.831 -1.077 . . . . 0.0 109.74 178.427 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 49.3 m -74.28 167.49 21.52 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.654 0.264 . . . . 0.0 111.04 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 13' ' ' LEU . . . . . 0.407 ' C ' HD21 ' C' ' 13' ' ' LEU . 8.7 tt -55.98 -51.95 65.89 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.213 -0.449 . . . . 0.0 112.069 -178.478 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -65.2 -24.36 67.34 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.793 0.294 . . . . 0.0 111.793 -179.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . 0.561 ' HG2' ' HB3' ' C' ' 11' ' ' CYS . 4.4 tp-100 -67.16 -38.55 85.65 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.17 0.509 . . . . 0.0 109.806 179.167 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 16' ' ' LEU . . . . . 0.57 ' HB3' HD22 ' D' ' 15' ' ' LEU . 69.2 mt -71.99 -29.71 64.51 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.545 -179.677 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -61.13 -21.62 63.91 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.433 -179.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 75.0 m-80 -68.01 -12.72 61.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.85 0.357 . . . . 0.0 111.301 179.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -109.24 13.26 24.44 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.166 0.508 . . . . 0.0 110.868 -179.197 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 1.1 m -85.67 159.11 19.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.198 179.547 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.268 -0.873 . . . . 0.0 109.328 179.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 1' ' ' PHE . . . . . 0.491 ' O ' HG21 ' D' ' 2' ' ' VAL . 57.4 t80 . . . . . 0 N--CA 1.482 1.132 0 CA-C-O 120.508 0.194 . . . . 0.0 110.568 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 2' ' ' VAL . . . . . 0.491 HG21 ' O ' ' D' ' 1' ' ' PHE . 34.0 m 46.67 -139.4 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 C-N-CA 124.051 0.94 . . . . 0.0 112.623 -179.11 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 3' ' ' ASN . . . . . 0.656 ' HB3' HD12 ' G' ' 10' ' ' ILE . 14.8 t-20 -160.95 168.94 23.59 Favored 'General case' 0 C--N 1.328 -0.356 0 O-C-N 122.232 -0.293 . . . . 0.0 110.881 -177.364 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 4' ' ' GLN . . . . . 0.778 ' HG3' HG23 ' C' ' 3' ' ' VAL . 4.6 tt0 -45.71 -37.2 5.59 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 124.243 1.017 . . . . 0.0 110.968 178.031 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 5' ' ' HIS . . . . . 0.555 ' CE1' ' HA ' ' B' ' 17' ' ' LEU . 79.4 t60 -57.21 -18.47 16.01 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 114.791 -1.095 . . . . 0.0 112.905 -179.358 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 6' ' ' LEU . . . . . 0.544 HD13 HD13 ' G' ' 10' ' ' ILE . 13.0 mt -116.32 -47.92 2.73 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 7' ' ' CYS . . . . . . . . . . . . . 49.6 t -62.1 -43.58 98.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.0 -179.05 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.49 -29.54 73.76 Favored Glycine 0 C--N 1.331 0.261 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.537 179.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 9' ' ' SER . . . . . 0.469 ' HB3' ' HG2' ' B' ' 13' ' ' GLU . 4.9 m -66.54 -4.21 8.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.769 0.319 . . . . 0.0 111.639 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 10' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -122.93 -15.11 7.47 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 11' ' ' LEU . . . . . . . . . . . . . 27.9 mt -72.92 -17.98 61.44 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 107.813 -1.18 . . . . 0.0 107.813 177.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 12' ' ' VAL . . . . . 0.653 HG22 HG22 ' B' ' 12' ' ' VAL . 6.3 m -66.45 -38.77 82.45 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 CA-C-N 114.468 -1.242 . . . . 0.0 110.383 178.285 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 13' ' ' GLU . . . . . 0.455 ' HG2' ' HB3' ' B' ' 9' ' ' SER . 25.5 mt-10 -61.22 -34.61 75.39 Favored 'General case' 0 CA--C 1.519 -0.221 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 179.58 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.04 -50.45 68.39 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.996 178.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 15' ' ' LEU . . . . . 0.57 HD22 ' HB3' ' C' ' 16' ' ' LEU . 47.7 mt -61.37 -43.71 98.4 Favored 'General case' 0 C--O 1.226 -0.18 0 CA-C-O 121.68 0.752 . . . . 0.0 109.537 178.592 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 16' ' ' TYR . . . . . 0.552 ' CD2' ' HE2' ' D' ' 24' ' ' PHE . 0.6 OUTLIER -57.22 -47.62 80.84 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 114.273 -1.331 . . . . 0.0 111.723 -179.162 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . 0.553 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 1.9 mm? -59.77 -42.2 92.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.049 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . 0.404 HG12 HD22 ' C' ' 13' ' ' LEU . 47.1 t -75.71 -33.44 26.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.51 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 19' ' ' CYS . . . . . 0.407 ' HB2' ' O ' ' D' ' 15' ' ' LEU . 0.1 OUTLIER -83.95 2.63 37.83 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -178.518 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.66 -113.41 5.69 Favored Glycine 0 CA--C 1.519 0.282 0 C-N-CA 120.864 -0.684 . . . . 0.0 113.021 179.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 -126.17 21.6 7.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.191 0.52 . . . . 0.0 110.445 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 22' ' ' ARG . . . . . . . . . . . . . 35.2 ttm105 -79.51 -42.81 24.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.403 0.62 . . . . 0.0 110.783 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 23' ' ' GLY . . . . . . . . . . . . . . . 109.57 170.86 20.4 Favored Glycine 0 N--CA 1.445 -0.766 0 N-CA-C 110.726 -0.949 . . . . 0.0 110.726 -178.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 24' ' ' PHE . . . . . 0.622 ' HZ ' ' HB ' ' D' ' 12' ' ' VAL . 51.2 p90 -154.44 -178.24 7.01 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.348 0.594 . . . . 0.0 111.126 -179.684 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 25' ' ' PHE . . . . . . . . . . . . . 7.6 p90 -122.99 140.62 52.84 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 178.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 26' ' ' TYR . . . . . 0.661 ' HE1' HD12 ' C' ' 2' ' ' ILE . 16.4 t80 -133.62 86.61 2.3 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 119.753 -0.779 . . . . 0.0 112.0 -178.663 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 27' ' ' THR . . . . . . . . . . . . . 8.8 m -115.53 83.9 11.54 Favored Pre-proline 0 C--N 1.316 -0.88 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 177.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 28' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -79.65 -2.28 12.09 Favored 'Trans proline' 0 N--CA 1.46 -0.494 0 C-N-CA 122.888 2.392 . . . . 0.0 112.65 -177.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 57.0 tttm -64.06 103.12 0.56 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.147 179.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 6.3 m . . . . . 0 C--O 1.246 0.913 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.431 -179.667 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.571 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' E' E ' 2' ' ' ILE . . . . . 0.695 HD12 ' HE1' ' F' ' 26' ' ' TYR . 11.4 tt -168.88 -26.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 120.835 0.35 . . . . 0.0 110.676 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' E' E ' 3' ' ' VAL . . . . . 0.799 HG23 ' HG3' ' F' ' 4' ' ' GLN . 40.2 t -59.25 -76.66 0.03 OUTLIER 'Isoleucine or valine' 0 C--O 1.225 -0.218 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.135 -179.711 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' E' E ' 4' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -57.54 -35.25 70.06 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.23 0.538 . . . . 0.0 110.633 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 5' ' ' GLN . . . . . 0.445 ' HG2' ' SG ' ' E' ' 11' ' ' CYS . 33.4 tt0 -60.08 -47.72 84.71 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 113.337 0.865 . . . . 0.0 113.337 -179.518 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' E' E ' 6' ' ' CYS . . . . . . . . . . . . . 81.3 m -101.54 -27.07 13.31 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 -177.166 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 7' ' ' CYS . . . . . . . . . . . . . 12.1 t -78.26 -1.75 34.52 Favored 'General case' 0 C--N 1.322 -0.623 0 O-C-N 122.101 -0.375 . . . . 0.0 111.261 -178.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 15.1 t -83.72 -43.29 15.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.074 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 9' ' ' SER . . . . . 0.419 ' HA ' ' O ' ' J' ' 2' ' ' VAL . 7.6 p -164.19 26.28 0.07 Allowed 'General case' 0 C--O 1.233 0.197 0 CA-C-O 120.682 0.277 . . . . 0.0 111.523 -179.605 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' E' E ' 10' ' ' ILE . . . . . 0.703 HD12 ' HB3' ' J' ' 3' ' ' ASN . 1.7 mp 70.17 136.7 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 CA-C-O 121.737 0.78 . . . . 0.0 112.736 179.27 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' E' E ' 11' ' ' CYS . . . . . 0.567 ' HB3' ' HG2' ' E' ' 15' ' ' GLN . 96.6 m -95.01 157.47 15.88 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.044 -0.98 . . . . 0.0 109.525 178.451 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' E' E ' 12' ' ' SER . . . . . . . . . . . . . 32.7 m -72.28 168.27 18.67 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.629 0.252 . . . . 0.0 111.067 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 13' ' ' LEU . . . . . 0.416 ' C ' HD21 ' E' ' 13' ' ' LEU . 8.7 tt -56.74 -52.8 63.57 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -178.391 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -64.02 -25.7 68.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.676 0.274 . . . . 0.0 111.365 -179.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 15' ' ' GLN . . . . . 0.567 ' HG2' ' HB3' ' E' ' 11' ' ' CYS . 4.8 tp-100 -65.25 -38.75 91.32 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.153 0.501 . . . . 0.0 109.903 179.076 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' E' E ' 16' ' ' LEU . . . . . 0.551 ' HB3' HD22 ' F' ' 15' ' ' LEU . 71.8 mt -72.17 -29.72 64.28 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.576 -179.647 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' E' E ' 17' ' ' GLU . . . . . . . . . . . . . 76.9 tt0 -60.77 -23.53 65.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.967 0.413 . . . . 0.0 111.35 -179.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 18' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -65.93 -13.23 59.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.426 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 19' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -109.2 13.91 24.14 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.131 0.491 . . . . 0.0 110.851 -179.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 20' ' ' CYS . . . . . . . . . . . . . 1.1 m -86.02 159.95 19.45 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.45 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.246 0.891 0 CA-C-O 118.169 -0.92 . . . . 0.0 109.616 179.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 1' ' ' PHE . . . . . 0.492 ' O ' HG21 ' F' ' 2' ' ' VAL . 56.9 t80 . . . . . 0 N--CA 1.483 1.176 0 CA-C-O 120.196 0.046 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 2' ' ' VAL . . . . . 0.492 HG21 ' O ' ' F' ' 1' ' ' PHE . 34.6 m 47.09 -139.02 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 C-N-CA 124.072 0.949 . . . . 0.0 112.4 -178.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' F' F ' 3' ' ' ASN . . . . . 0.677 ' HB3' HD12 ' A' ' 10' ' ' ILE . 13.8 t-20 -161.13 169.23 22.77 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 122.228 -0.295 . . . . 0.0 110.848 -177.412 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' F' F ' 4' ' ' GLN . . . . . 0.799 ' HG3' HG23 ' E' ' 3' ' ' VAL . 4.5 tt0 -46.43 -36.39 6.5 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 124.103 0.961 . . . . 0.0 111.139 177.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' F' F ' 5' ' ' HIS . . . . . 0.541 ' CE1' ' HA ' ' H' ' 17' ' ' LEU . 80.9 t60 -58.29 -16.92 16.11 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 115.01 -0.995 . . . . 0.0 112.902 -179.416 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' F' F ' 6' ' ' LEU . . . . . 0.54 HD13 HD13 ' A' ' 10' ' ' ILE . 12.7 mt -117.65 -48.0 2.6 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 122.217 -0.302 . . . . 0.0 111.793 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' F' F ' 7' ' ' CYS . . . . . . . . . . . . . 47.1 t -61.74 -44.14 97.49 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.729 0.299 . . . . 0.0 110.905 -179.251 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.08 -30.0 74.36 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.973 -0.632 . . . . 0.0 112.489 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 9' ' ' SER . . . . . 0.481 ' HB3' ' HG2' ' H' ' 13' ' ' GLU . 5.1 m -66.29 -4.64 8.28 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 122.481 0.313 . . . . 0.0 111.704 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' F' F ' 10' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -122.52 -15.22 7.62 Favored 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 111.644 0.239 . . . . 0.0 111.644 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 11' ' ' LEU . . . . . . . . . . . . . 25.8 mt -72.66 -18.15 61.59 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 177.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 12' ' ' VAL . . . . . 0.641 ' HB ' ' HZ ' ' F' ' 24' ' ' PHE . 6.8 m -66.1 -38.73 82.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 CA-C-N 114.735 -1.12 . . . . 0.0 110.566 178.169 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' F' F ' 13' ' ' GLU . . . . . 0.465 ' HG2' ' HB3' ' H' ' 9' ' ' SER . 25.8 mt-10 -61.23 -34.99 76.02 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 179.633 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' F' F ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.7 -51.02 66.89 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.071 178.239 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 15' ' ' LEU . . . . . 0.551 HD22 ' HB3' ' E' ' 16' ' ' LEU . 44.2 mt -60.74 -43.6 97.72 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 121.799 0.809 . . . . 0.0 109.751 178.487 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' F' F ' 16' ' ' TYR . . . . . 0.563 ' CD2' ' HE2' ' F' ' 24' ' ' PHE . 0.6 OUTLIER -57.36 -48.28 79.44 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.178 -1.373 . . . . 0.0 111.71 -179.143 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' F' F ' 17' ' ' LEU . . . . . 0.531 ' HA ' ' CE1' ' H' ' 5' ' ' HIS . 1.9 mm? -58.73 -42.92 89.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.987 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 47.4 t -74.89 -34.85 34.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.612 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 19' ' ' CYS . . . . . 0.41 ' HB2' ' O ' ' F' ' 15' ' ' LEU . 0.1 OUTLIER -83.31 4.29 27.82 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -178.561 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' F' F ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.99 -114.76 6.7 Favored Glycine 0 CA--C 1.519 0.297 0 C-N-CA 120.915 -0.66 . . . . 0.0 112.729 179.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 21' ' ' GLU . . . . . . . . . . . . . 79.9 mt-10 -124.8 22.85 8.08 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.117 0.484 . . . . 0.0 110.745 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 22' ' ' ARG . . . . . . . . . . . . . 35.6 ttm105 -80.96 -41.66 22.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.263 0.554 . . . . 0.0 110.719 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 23' ' ' GLY . . . . . . . . . . . . . . . 108.75 170.8 21.01 Favored Glycine 0 N--CA 1.444 -0.819 0 N-CA-C 110.741 -0.944 . . . . 0.0 110.741 -178.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 24' ' ' PHE . . . . . 0.641 ' HZ ' ' HB ' ' F' ' 12' ' ' VAL . 51.1 p90 -154.13 -177.79 6.67 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.226 0.536 . . . . 0.0 110.974 -179.525 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' F' F ' 25' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -123.33 140.79 52.65 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 178.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 26' ' ' TYR . . . . . 0.695 ' HE1' HD12 ' E' ' 2' ' ' ILE . 17.2 t80 -133.96 85.8 2.23 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 119.519 -0.873 . . . . 0.0 111.977 -178.703 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' F' F ' 27' ' ' THR . . . . . . . . . . . . . 9.8 m -114.62 84.15 9.7 Favored Pre-proline 0 C--N 1.316 -0.85 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 177.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 28' ' ' PRO . . . . . 0.402 ' HB2' ' CG2' ' E' ' 3' ' ' VAL . 97.8 Cg_endo -79.94 -1.71 11.61 Favored 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 122.782 2.322 . . . . 0.0 112.823 -177.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' F' F ' 29' ' ' LYS . . . . . . . . . . . . . 55.6 tttm -63.96 106.49 1.04 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.831 179.23 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 30' ' ' THR . . . . . . . . . . . . . 13.2 m . . . . . 0 C--O 1.248 0.98 0 CA-C-O 118.341 -0.838 . . . . 0.0 109.857 -179.313 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' G' G ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.894 0 N-CA-C 111.93 -0.468 . . . . 0.0 111.93 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' G' G ' 2' ' ' ILE . . . . . 0.674 HD12 ' HE1' ' H' ' 26' ' ' TYR . 11.5 tt -168.64 -27.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 120.743 0.306 . . . . 0.0 110.765 179.498 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' G' G ' 3' ' ' VAL . . . . . 0.813 HG23 ' HG3' ' H' ' 4' ' ' GLN . 40.8 t -59.2 -75.87 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.519 -0.213 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.081 -179.521 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' G' G ' 4' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -58.22 -34.47 70.45 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.295 0.569 . . . . 0.0 110.93 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 5' ' ' GLN . . . . . 0.428 ' HG2' ' SG ' ' G' ' 11' ' ' CYS . 32.9 tt0 -60.99 -48.35 82.25 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.467 -0.788 . . . . 0.0 112.912 -179.436 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' G' G ' 6' ' ' CYS . . . . . . . . . . . . . 83.0 m -100.43 -26.97 13.68 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 -177.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 7' ' ' CYS . . . . . . . . . . . . . 11.0 t -78.37 -2.32 37.68 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.18 -179.062 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 8' ' ' THR . . . . . . . . . . . . . 11.5 t -82.39 -43.73 16.99 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 121.208 -0.197 . . . . 0.0 111.153 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 9' ' ' SER . . . . . 0.434 ' HA ' ' O ' ' D' ' 2' ' ' VAL . 13.4 p -164.11 26.09 0.07 Allowed 'General case' 0 CA--C 1.53 0.206 0 CA-C-O 120.684 0.278 . . . . 0.0 111.733 -179.41 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' G' G ' 10' ' ' ILE . . . . . 0.656 HD12 ' HB3' ' D' ' 3' ' ' ASN . 1.7 mp 70.28 134.95 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 CA-C-O 121.785 0.802 . . . . 0.0 113.102 179.145 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' G' G ' 11' ' ' CYS . . . . . 0.605 ' HB3' ' HG2' ' G' ' 15' ' ' GLN . 99.8 m -92.75 159.55 15.36 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.698 178.535 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' G' G ' 12' ' ' SER . . . . . . . . . . . . . 50.5 m -74.67 168.7 19.3 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.715 0.293 . . . . 0.0 111.017 179.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 13' ' ' LEU . . . . . 0.409 HD22 HG12 ' H' ' 18' ' ' VAL . 8.6 tt -56.2 -54.09 49.37 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.78 -178.565 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -62.48 -26.02 68.31 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -179.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 15' ' ' GLN . . . . . 0.605 ' HG2' ' HB3' ' G' ' 11' ' ' CYS . 3.4 tp-100 -65.83 -38.56 89.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.3 0.571 . . . . 0.0 109.85 179.523 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' G' G ' 16' ' ' LEU . . . . . 0.555 ' HB3' HD22 ' H' ' 15' ' ' LEU . 68.5 mt -72.4 -29.89 64.15 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.241 -0.891 . . . . 0.0 111.425 -179.515 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' G' G ' 17' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -60.7 -22.55 64.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.951 0.405 . . . . 0.0 111.3 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 18' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -67.05 -13.21 61.7 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.494 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 19' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 -109.13 13.25 24.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.155 0.502 . . . . 0.0 110.605 -179.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 20' ' ' CYS . . . . . . . . . . . . . 1.1 m -85.78 157.82 20.15 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.26 179.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 21' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.252 -0.88 . . . . 0.0 109.436 179.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 1' ' ' PHE . . . . . 0.474 ' O ' HG21 ' H' ' 2' ' ' VAL . 56.5 t80 . . . . . 0 N--CA 1.479 1.016 0 CA-C-O 120.383 0.135 . . . . 0.0 110.79 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 2' ' ' VAL . . . . . 0.474 HG21 ' O ' ' H' ' 1' ' ' PHE . 33.5 m 46.37 -140.69 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 C-N-CA 124.13 0.972 . . . . 0.0 112.494 -178.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' H' H ' 3' ' ' ASN . . . . . 0.699 ' HB3' HD12 ' K' ' 10' ' ' ILE . 14.5 t-20 -159.68 169.36 23.88 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 122.207 -0.308 . . . . 0.0 110.942 -177.335 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' H' H ' 4' ' ' GLN . . . . . 0.813 ' HG3' HG23 ' G' ' 3' ' ' VAL . 4.3 tt0 -46.23 -36.64 6.3 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 124.192 0.997 . . . . 0.0 110.961 178.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' H' H ' 5' ' ' HIS . . . . . 0.531 ' CE1' ' HA ' ' F' ' 17' ' ' LEU . 79.5 t60 -57.76 -17.86 18.11 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 114.781 -1.1 . . . . 0.0 112.926 -179.509 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' H' H ' 6' ' ' LEU . . . . . 0.543 HD13 HD13 ' K' ' 10' ' ' ILE . 12.6 mt -116.81 -47.46 2.7 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 179.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' H' H ' 7' ' ' CYS . . . . . . . . . . . . . 49.5 t -62.47 -43.58 98.47 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.687 0.28 . . . . 0.0 110.932 -179.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.57 -29.28 73.12 Favored Glycine 0 C--N 1.332 0.333 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.527 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 9' ' ' SER . . . . . 0.465 ' HB3' ' HG2' ' F' ' 13' ' ' GLU . 4.4 m -66.65 -4.57 9.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.738 0.304 . . . . 0.0 111.725 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' H' H ' 10' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -122.45 -15.0 7.71 Favored 'General case' 0 CA--C 1.514 -0.412 0 C-N-CA 120.98 -0.288 . . . . 0.0 111.683 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 11' ' ' LEU . . . . . . . . . . . . . 28.4 mt -72.78 -17.99 61.53 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 177.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 12' ' ' VAL . . . . . 0.641 HG22 HG22 ' F' ' 12' ' ' VAL . 6.6 m -66.32 -39.37 84.02 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.403 0 CA-C-N 114.612 -1.177 . . . . 0.0 110.337 178.193 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' H' H ' 13' ' ' GLU . . . . . 0.481 ' HG2' ' HB3' ' F' ' 9' ' ' SER . 25.8 mt-10 -60.56 -35.07 75.15 Favored 'General case' 0 CA--C 1.519 -0.215 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 179.694 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' H' H ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.71 -51.09 66.56 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.274 -0.875 . . . . 0.0 110.042 178.299 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 15' ' ' LEU . . . . . 0.555 HD22 ' HB3' ' G' ' 16' ' ' LEU . 45.0 mt -60.87 -43.55 98.24 Favored 'General case' 0 C--O 1.226 -0.156 0 CA-C-O 121.708 0.766 . . . . 0.0 109.63 178.581 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' H' H ' 16' ' ' TYR . . . . . 0.562 ' CD2' ' HE2' ' H' ' 24' ' ' PHE . 0.6 OUTLIER -57.67 -47.62 81.78 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.386 -1.279 . . . . 0.0 111.702 -179.174 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' H' H ' 17' ' ' LEU . . . . . 0.541 ' HA ' ' CE1' ' F' ' 5' ' ' HIS . 1.9 mm? -59.43 -42.27 91.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.017 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . 0.409 HG12 HD22 ' G' ' 13' ' ' LEU . 44.0 t -75.52 -33.67 27.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.394 -179.809 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' H' H ' 19' ' ' CYS . . . . . 0.425 ' HB2' ' O ' ' H' ' 15' ' ' LEU . 0.1 OUTLIER -84.49 4.24 32.71 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 112.597 0.591 . . . . 0.0 112.597 -178.469 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' H' H ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.72 -115.05 6.95 Favored Glycine 0 CA--C 1.52 0.377 0 C-N-CA 120.978 -0.63 . . . . 0.0 112.874 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 21' ' ' GLU . . . . . . . . . . . . . 83.4 mt-10 -124.67 23.42 8.04 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.04 0.448 . . . . 0.0 110.443 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 22' ' ' ARG . . . . . . . . . . . . . 36.1 ttm105 -81.31 -43.16 19.52 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.238 0.542 . . . . 0.0 110.69 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 23' ' ' GLY . . . . . . . . . . . . . . . 109.91 171.0 20.15 Favored Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -178.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 24' ' ' PHE . . . . . 0.612 ' HZ ' ' HB ' ' H' ' 12' ' ' VAL . 51.1 p90 -154.35 -177.76 6.67 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.284 0.564 . . . . 0.0 110.922 -179.419 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' H' H ' 25' ' ' PHE . . . . . . . . . . . . . 7.3 p90 -123.6 140.23 53.21 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 178.259 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 26' ' ' TYR . . . . . 0.674 ' HE1' HD12 ' G' ' 2' ' ' ILE . 17.8 t80 -133.43 85.96 2.25 Favored 'General case' 0 N--CA 1.446 -0.639 0 C-N-CA 119.711 -0.796 . . . . 0.0 112.031 -178.706 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' H' H ' 27' ' ' THR . . . . . . . . . . . . . 11.4 m -114.67 84.58 10.27 Favored Pre-proline 0 C--N 1.318 -0.788 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 177.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 28' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -79.81 -3.28 12.72 Favored 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 122.659 2.24 . . . . 0.0 112.953 -177.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 29' ' ' LYS . . . . . . . . . . . . . 55.6 tttm -62.23 105.19 0.57 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.257 179.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 30' ' ' THR . . . . . . . . . . . . . 8.8 m . . . . . 0 C--O 1.256 1.413 0 CA-C-O 118.632 -0.699 . . . . 0.0 109.682 -179.553 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' I' I ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.745 0 N-CA-C 112.177 -0.369 . . . . 0.0 112.177 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' I' I ' 2' ' ' ILE . . . . . 0.659 HD12 ' HE1' ' J' ' 26' ' ' TYR . 11.6 tt -166.58 -26.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-O 120.88 0.371 . . . . 0.0 111.115 179.52 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' I' I ' 3' ' ' VAL . . . . . 0.818 HG23 ' HG3' ' J' ' 4' ' ' GLN . 38.3 t -59.01 -76.27 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.224 -0.26 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.214 -179.6 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' I' I ' 4' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -57.77 -33.96 69.08 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.372 0.606 . . . . 0.0 111.201 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' I' I ' 5' ' ' GLN . . . . . 0.421 ' HG2' ' SG ' ' I' ' 11' ' ' CYS . 33.0 tt0 -62.18 -47.15 85.75 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.414 -0.812 . . . . 0.0 113.01 -179.55 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' I' I ' 6' ' ' CYS . . . . . . . . . . . . . 81.5 m -101.55 -26.73 13.44 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 113.603 0.964 . . . . 0.0 113.603 -177.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' I' I ' 7' ' ' CYS . . . . . . . . . . . . . 11.4 t -78.47 -2.26 37.66 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 122.085 -0.385 . . . . 0.0 111.154 -179.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' I' I ' 8' ' ' THR . . . . . . . . . . . . . 13.3 t -82.95 -43.53 16.35 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 122.382 -0.199 . . . . 0.0 111.081 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' I' I ' 9' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' B' ' 2' ' ' VAL . 23.1 p -164.01 26.14 0.07 Allowed 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 111.608 0.225 . . . . 0.0 111.608 -179.723 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' I' I ' 10' ' ' ILE . . . . . 0.706 HD12 ' HB3' ' B' ' 3' ' ' ASN . 1.7 mp 70.63 136.24 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.574 0 CA-C-O 121.987 0.898 . . . . 0.0 112.869 179.007 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' I' I ' 11' ' ' CYS . . . . . 0.581 ' HB3' ' HG2' ' I' ' 15' ' ' GLN . 97.1 m -95.06 157.5 15.87 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.026 -0.988 . . . . 0.0 109.51 178.649 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' I' I ' 12' ' ' SER . . . . . . . . . . . . . 50.7 m -72.55 166.82 21.93 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.882 0.372 . . . . 0.0 111.027 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' I' I ' 13' ' ' LEU . . . . . . . . . . . . . 8.5 tt -55.16 -53.05 60.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.92 -178.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -63.97 -24.59 67.78 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.642 0.238 . . . . 0.0 111.642 -179.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' I' I ' 15' ' ' GLN . . . . . 0.581 ' HG2' ' HB3' ' I' ' 11' ' ' CYS . 3.8 tp-100 -67.12 -38.05 84.94 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.17 0.509 . . . . 0.0 109.941 179.208 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' I' I ' 16' ' ' LEU . . . . . 0.578 ' HB3' HD22 ' J' ' 15' ' ' LEU . 65.7 mt -72.7 -29.57 63.5 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.432 -179.679 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' I' I ' 17' ' ' GLU . . . . . . . . . . . . . 77.4 tt0 -61.05 -21.84 64.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.779 0.323 . . . . 0.0 111.322 -179.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' I' I ' 18' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -67.36 -13.58 62.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.749 0.309 . . . . 0.0 111.279 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' I' I ' 19' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -108.72 13.98 24.7 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.119 0.485 . . . . 0.0 110.745 -179.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' I' I ' 20' ' ' CYS . . . . . . . . . . . . . 1.1 m -86.89 157.43 19.53 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.306 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' I' I ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.247 0.925 0 CA-C-O 118.379 -0.82 . . . . 0.0 109.465 179.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' J' J ' 1' ' ' PHE . . . . . 0.5 ' O ' HG21 ' J' ' 2' ' ' VAL . 55.7 t80 . . . . . 0 N--CA 1.482 1.146 0 CA-C-O 120.378 0.132 . . . . 0.0 110.665 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' J' J ' 2' ' ' VAL . . . . . 0.5 HG21 ' O ' ' J' ' 1' ' ' PHE . 33.9 m 47.08 -139.33 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 C-N-CA 124.12 0.968 . . . . 0.0 112.484 -178.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' J' J ' 3' ' ' ASN . . . . . 0.703 ' HB3' HD12 ' E' ' 10' ' ' ILE . 14.0 t-20 -161.71 168.67 22.87 Favored 'General case' 0 C--O 1.237 0.419 0 O-C-N 122.236 -0.29 . . . . 0.0 110.734 -177.373 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' J' J ' 4' ' ' GLN . . . . . 0.818 ' HG3' HG23 ' I' ' 3' ' ' VAL . 4.7 tt0 -45.59 -36.54 4.78 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 124.604 1.161 . . . . 0.0 111.092 177.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' J' J ' 5' ' ' HIS . . . . . 0.583 ' CE1' ' HA ' ' L' ' 17' ' ' LEU . 80.7 t60 -58.5 -17.5 21.74 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 114.796 -1.093 . . . . 0.0 112.861 -179.224 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' J' J ' 6' ' ' LEU . . . . . 0.515 HD13 HD13 ' E' ' 10' ' ' ILE . 12.9 mt -116.92 -47.69 2.68 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' J' J ' 7' ' ' CYS . . . . . . . . . . . . . 47.9 t -62.41 -43.73 98.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.581 0.229 . . . . 0.0 110.872 -178.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' J' J ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.58 -29.48 73.74 Favored Glycine 0 C--N 1.33 0.234 0 C-N-CA 120.993 -0.623 . . . . 0.0 112.512 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' J' J ' 9' ' ' SER . . . . . 0.462 ' HB3' ' HG2' ' L' ' 13' ' ' GLU . 4.7 m -66.55 -4.39 8.42 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 122.362 0.265 . . . . 0.0 111.679 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' J' J ' 10' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -122.72 -15.0 7.6 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 121.036 -0.266 . . . . 0.0 111.662 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' J' J ' 11' ' ' LEU . . . . . . . . . . . . . 27.4 mt -72.8 -17.74 61.54 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 177.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' J' J ' 12' ' ' VAL . . . . . 0.635 ' HB ' ' HZ ' ' J' ' 24' ' ' PHE . 6.4 m -66.71 -38.78 82.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 CA-C-N 114.481 -1.236 . . . . 0.0 110.372 178.262 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' J' J ' 13' ' ' GLU . . . . . 0.475 ' HG2' ' HB3' ' L' ' 9' ' ' SER . 25.7 mt-10 -61.45 -34.42 75.39 Favored 'General case' 0 CA--C 1.52 -0.21 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 179.732 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' J' J ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.42 -50.47 67.43 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.984 178.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' J' J ' 15' ' ' LEU . . . . . 0.578 HD22 ' HB3' ' I' ' 16' ' ' LEU . 47.1 mt -61.2 -43.74 98.4 Favored 'General case' 0 C--O 1.225 -0.23 0 CA-C-O 121.817 0.818 . . . . 0.0 109.651 178.473 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' J' J ' 16' ' ' TYR . . . . . 0.557 ' CD2' ' HE2' ' J' ' 24' ' ' PHE . 0.7 OUTLIER -56.91 -48.19 78.82 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.209 -1.36 . . . . 0.0 111.811 -179.264 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' J' J ' 17' ' ' LEU . . . . . 0.559 ' HA ' ' CE1' ' L' ' 5' ' ' HIS . 1.9 mm? -59.69 -41.29 90.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.932 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 48.0 t -76.41 -33.61 23.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.344 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' J' J ' 19' ' ' CYS . . . . . 0.412 ' HB2' ' O ' ' J' ' 15' ' ' LEU . 0.1 OUTLIER -84.22 4.22 31.76 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 -178.649 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' J' J ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.84 -114.19 6.08 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.949 -0.644 . . . . 0.0 112.862 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' J' J ' 21' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -126.27 25.39 6.64 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.203 0.525 . . . . 0.0 110.358 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' J' J ' 22' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' J' ' 22' ' ' ARG . 34.4 ttm105 -83.36 -41.68 17.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.475 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' J' J ' 23' ' ' GLY . . . . . . . . . . . . . . . 108.94 171.04 20.88 Favored Glycine 0 N--CA 1.447 -0.602 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 -178.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' J' J ' 24' ' ' PHE . . . . . 0.635 ' HZ ' ' HB ' ' J' ' 12' ' ' VAL . 51.2 p90 -154.24 -177.6 6.55 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.203 0.525 . . . . 0.0 110.897 -179.6 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' J' J ' 25' ' ' PHE . . . . . . . . . . . . . 7.5 p90 -123.88 139.9 53.51 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 178.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' J' J ' 26' ' ' TYR . . . . . 0.659 ' HE1' HD12 ' I' ' 2' ' ' ILE . 17.1 t80 -133.12 86.47 2.31 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 119.683 -0.807 . . . . 0.0 112.084 -178.719 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' J' J ' 27' ' ' THR . . . . . . . . . . . . . 11.3 m -115.62 84.19 12.15 Favored Pre-proline 0 C--N 1.317 -0.846 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 177.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' J' J ' 28' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_endo -79.43 -3.28 12.89 Favored 'Trans proline' 0 C--O 1.236 0.376 0 C-N-CA 122.902 2.402 . . . . 0.0 112.884 -177.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' J' J ' 29' ' ' LYS . . . . . . . . . . . . . 53.9 tttm -62.65 102.65 0.35 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.265 0.555 . . . . 0.0 110.168 179.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' J' J ' 30' ' ' THR . . . . . . . . . . . . . 7.6 m . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.481 -0.771 . . . . 0.0 109.705 -179.718 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.474 0 N-CA-C 111.78 -0.528 . . . . 0.0 111.78 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' K' K ' 2' ' ' ILE . . . . . 0.689 HD12 ' HE1' ' L' ' 26' ' ' TYR . 11.6 tt -167.18 -26.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 O-C-N 122.495 -0.415 . . . . 0.0 110.938 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' K' K ' 3' ' ' VAL . . . . . 0.816 HG23 ' HG3' ' L' ' 4' ' ' GLN . 40.8 t -59.0 -76.59 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.032 -179.677 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' K' K ' 4' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -57.76 -34.37 69.48 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.032 0.444 . . . . 0.0 110.849 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' K' K ' 5' ' ' GLN . . . . . 0.416 ' HG2' ' SG ' ' K' ' 11' ' ' CYS . 32.4 tt0 -61.67 -47.54 84.89 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 -179.374 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' K' K ' 6' ' ' CYS . . . . . . . . . . . . . 82.1 m -101.32 -26.98 13.43 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 113.548 0.944 . . . . 0.0 113.548 -177.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' K' K ' 7' ' ' CYS . . . . . . . . . . . . . 11.7 t -78.39 -1.73 34.88 Favored 'General case' 0 C--N 1.321 -0.664 0 O-C-N 121.879 -0.513 . . . . 0.0 111.274 -178.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' K' K ' 8' ' ' THR . . . . . . . . . . . . . 13.5 t -83.0 -44.44 15.24 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.631 -0.259 . . . . 0.0 110.979 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' K' K ' 9' ' ' SER . . . . . . . . . . . . . 11.9 p -163.3 26.18 0.09 Allowed 'General case' 0 C--O 1.232 0.173 0 CA-C-O 120.555 0.217 . . . . 0.0 111.509 -179.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' K' K ' 10' ' ' ILE . . . . . 0.699 HD12 ' HB3' ' H' ' 3' ' ' ASN . 1.7 mp 70.56 136.24 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 CA-C-O 121.86 0.838 . . . . 0.0 112.871 179.132 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' K' K ' 11' ' ' CYS . . . . . 0.58 ' HB3' ' HG2' ' K' ' 15' ' ' GLN . 98.4 m -94.69 157.58 15.89 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.087 -0.961 . . . . 0.0 109.592 178.452 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' K' K ' 12' ' ' SER . . . . . . . . . . . . . 46.9 m -71.89 168.01 18.83 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.72 0.295 . . . . 0.0 111.236 179.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' K' K ' 13' ' ' LEU . . . . . 0.424 HD22 HG12 ' L' ' 18' ' ' VAL . 8.5 tt -56.61 -52.92 63.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.851 -178.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -63.95 -25.08 67.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.647 0.26 . . . . 0.0 111.686 -179.279 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' K' K ' 15' ' ' GLN . . . . . 0.58 ' HG2' ' HB3' ' K' ' 11' ' ' CYS . 3.7 tp-100 -66.83 -38.13 85.84 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.217 0.532 . . . . 0.0 109.819 179.584 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' K' K ' 16' ' ' LEU . . . . . 0.565 ' HB3' HD22 ' L' ' 15' ' ' LEU . 67.5 mt -72.57 -29.55 63.63 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.363 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' K' K ' 17' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -61.21 -21.52 63.91 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 121.014 0.435 . . . . 0.0 111.542 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' K' K ' 18' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -67.47 -14.65 63.12 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.939 0.4 . . . . 0.0 111.207 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' K' K ' 19' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -107.42 13.42 26.97 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.025 0.44 . . . . 0.0 110.984 -179.099 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' K' K ' 20' ' ' CYS . . . . . . . . . . . . . 1.1 m -85.6 158.71 20.04 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.323 179.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' K' K ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.247 0.958 0 CA-C-O 118.224 -0.893 . . . . 0.0 109.345 179.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' L' L ' 1' ' ' PHE . . . . . 0.492 ' O ' HG21 ' L' ' 2' ' ' VAL . 57.2 t80 . . . . . 0 N--CA 1.483 1.191 0 CA-C-O 120.301 0.096 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' L' L ' 2' ' ' VAL . . . . . 0.492 HG21 ' O ' ' L' ' 1' ' ' PHE . 33.6 m 46.51 -139.6 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 C-N-CA 123.92 0.888 . . . . 0.0 112.536 -179.027 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' L' L ' 3' ' ' ASN . . . . . 0.659 ' HB3' HD12 ' C' ' 10' ' ' ILE . 16.2 t-20 -161.3 168.53 23.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 122.259 -0.275 . . . . 0.0 110.942 -177.388 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' L' L ' 4' ' ' GLN . . . . . 0.816 ' HG3' HG23 ' K' ' 3' ' ' VAL . 4.8 tt0 -45.26 -36.49 4.01 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 124.407 1.083 . . . . 0.0 111.082 178.02 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' L' L ' 5' ' ' HIS . . . . . 0.559 ' CE1' ' HA ' ' J' ' 17' ' ' LEU . 80.6 t60 -58.08 -17.92 21.3 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 114.817 -1.083 . . . . 0.0 112.991 -179.507 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' L' L ' 6' ' ' LEU . . . . . 0.563 HD13 HD13 ' C' ' 10' ' ' ILE . 13.0 mt -116.74 -48.12 2.68 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.038 0.384 . . . . 0.0 112.038 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' L' L ' 7' ' ' CYS . . . . . . . . . . . . . 46.8 t -61.81 -44.17 97.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.643 0.258 . . . . 0.0 110.876 -179.071 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' L' L ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.0 -29.2 71.94 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.617 179.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' L' L ' 9' ' ' SER . . . . . 0.475 ' HB3' ' HG2' ' J' ' 13' ' ' GLU . 5.3 m -66.77 -4.57 9.41 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 122.392 0.277 . . . . 0.0 111.656 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' L' L ' 10' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -122.75 -14.54 7.68 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.651 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' L' L ' 11' ' ' LEU . . . . . . . . . . . . . 26.5 mt -73.51 -17.49 61.21 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 177.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' L' L ' 12' ' ' VAL . . . . . 0.635 ' HB ' ' HZ ' ' L' ' 24' ' ' PHE . 6.2 m -66.77 -38.9 82.45 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 CA-C-N 114.682 -1.145 . . . . 0.0 110.342 178.313 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' L' L ' 13' ' ' GLU . . . . . 0.462 ' HG2' ' HB3' ' J' ' 9' ' ' SER . 25.7 mt-10 -61.01 -34.74 75.29 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 179.698 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' L' L ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.27 -50.55 67.49 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.058 178.412 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' L' L ' 15' ' ' LEU . . . . . 0.565 HD22 ' HB3' ' K' ' 16' ' ' LEU . 44.7 mt -61.28 -43.73 98.4 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-O 121.776 0.798 . . . . 0.0 109.555 178.493 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' L' L ' 16' ' ' TYR . . . . . 0.566 ' CD2' ' HE2' ' L' ' 24' ' ' PHE . 0.6 OUTLIER -57.02 -47.86 79.87 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.418 -1.264 . . . . 0.0 111.841 -179.265 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' L' L ' 17' ' ' LEU . . . . . 0.583 ' HA ' ' CE1' ' J' ' 5' ' ' HIS . 1.9 mm? -59.54 -41.93 91.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.933 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' L' L ' 18' ' ' VAL . . . . . 0.424 HG12 HD22 ' K' ' 13' ' ' LEU . 45.7 t -76.24 -32.71 22.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.467 -179.769 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' L' L ' 19' ' ' CYS . . . . . 0.426 ' HB2' ' O ' ' L' ' 15' ' ' LEU . 0.1 OUTLIER -85.33 4.39 35.37 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -178.64 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' L' L ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.57 -114.76 6.59 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.971 -0.633 . . . . 0.0 112.776 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' L' L ' 21' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -125.18 24.54 7.42 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.023 0.44 . . . . 0.0 110.407 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' L' L ' 22' ' ' ARG . . . . . . . . . . . . . 34.4 ttm105 -82.0 -42.33 19.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.343 0.592 . . . . 0.0 110.453 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' L' L ' 23' ' ' GLY . . . . . . . . . . . . . . . 109.22 170.83 20.65 Favored Glycine 0 N--CA 1.443 -0.841 0 N-CA-C 110.596 -1.001 . . . . 0.0 110.596 -178.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' L' L ' 24' ' ' PHE . . . . . 0.635 ' HZ ' ' HB ' ' L' ' 12' ' ' VAL . 51.2 p90 -153.96 -177.38 6.36 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.325 0.583 . . . . 0.0 110.997 -179.628 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' L' L ' 25' ' ' PHE . . . . . . . . . . . . . 7.4 p90 -123.93 140.08 53.33 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 178.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' L' L ' 26' ' ' TYR . . . . . 0.689 ' HE1' HD12 ' K' ' 2' ' ' ILE . 17.6 t80 -133.38 85.94 2.25 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 119.674 -0.81 . . . . 0.0 112.066 -178.537 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' L' L ' 27' ' ' THR . . . . . . . . . . . . . 10.0 m -114.81 84.81 10.81 Favored Pre-proline 0 C--N 1.316 -0.857 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 177.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' L' L ' 28' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -80.34 -2.15 11.8 Favored 'Trans proline' 0 N--CA 1.461 -0.426 0 C-N-CA 122.872 2.382 . . . . 0.0 112.803 -177.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' L' L ' 29' ' ' LYS . . . . . . . . . . . . . 55.1 tttm . . . . . 0 C--N 1.327 -0.371 0 CA-C-O 121.399 0.619 . . . . 0.0 110.335 179.412 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.96 0 N-CA-C 111.631 -0.588 . . . . 0.0 111.631 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.428 HG21 ' N ' ' A' ' 3' ' ' VAL . 13.6 tt -67.72 -37.57 78.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.649 0.261 . . . . 0.0 110.732 -179.299 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.572 ' O ' ' HB3' ' A' ' 7' ' ' CYS . 87.5 t -73.06 -45.09 55.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.928 0.87 . . . . 0.0 109.24 178.55 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -59.67 -29.49 68.11 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 114.57 -1.195 . . . . 0.0 111.544 179.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.55 ' NE2' ' HH ' ' A' ' 19' ' ' TYR . 36.1 tt0 -101.35 -46.86 4.88 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 -177.596 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.501 ' HB3' ' HB2' ' A' ' 11' ' ' CYS . 39.6 m -108.05 8.41 28.22 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 -175.604 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.79 ' HB2' HD12 ' B' ' 11' ' ' LEU . 8.6 t -111.22 -13.56 13.97 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 121.514 0.673 . . . . 0.0 110.042 178.496 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.1 t -75.05 -14.99 60.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.317 0.58 . . . . 0.0 109.673 178.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.0 t 179.57 169.8 1.09 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 107.068 -1.456 . . . . 0.0 107.068 179.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.546 ' N ' HD11 ' A' ' 10' ' ' ILE . 1.6 mp -62.66 120.36 8.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.861 0.838 . . . . 0.0 110.866 -179.29 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.501 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 2.8 t -80.59 160.77 25.02 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.257 -1.338 . . . . 0.0 110.596 -178.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.528 ' HB2' ' HB2' ' A' ' 15' ' ' GLN . 7.3 m -72.49 141.27 48.56 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.112 179.523 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.433 ' HG ' HG23 ' B' ' 18' ' ' VAL . 10.3 tt -58.21 -47.55 83.13 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 123.419 0.449 . . . . 0.0 110.99 -179.397 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -69.12 -25.18 64.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.435 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.528 ' HB2' ' HB2' ' A' ' 12' ' ' SER . 5.4 tt0 -72.61 -37.34 68.11 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.162 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.491 HD22 ' SG ' ' A' ' 6' ' ' CYS . 75.6 mt -73.63 -25.35 60.26 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.087 178.742 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -65.96 -25.04 66.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.632 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -78.11 -4.07 45.55 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.888 179.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.55 ' HH ' ' NE2' ' A' ' 5' ' ' GLN . 8.5 m-30 -89.59 -97.17 0.1 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.437 179.563 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.454 ' HB3' ' H ' ' A' ' 21' ' ' ASN . 52.3 m 55.44 -138.06 1.09 Allowed 'General case' 0 C--O 1.233 0.205 0 O-C-N 123.241 0.338 . . . . 0.0 110.879 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.722 ' HB2' ' HA ' ' B' ' 24' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--O 1.248 1.003 0 CA-C-O 117.921 -1.038 . . . . 0.0 109.268 179.411 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 5.6 p90 . . . . . 0 N--CA 1.481 1.117 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . 0.749 HG13 HD13 ' B' ' 6' ' ' LEU . 33.1 m -118.59 -156.2 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.8 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . 0.4 ' CG ' ' H ' ' B' ' 4' ' ' GLN . 28.1 t30 -143.74 -177.27 5.33 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.998 0.428 . . . . 0.0 111.137 -178.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . 0.4 ' H ' ' CG ' ' B' ' 3' ' ' ASN . 22.9 tt0 -43.13 -39.9 3.01 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 114.562 -1.199 . . . . 0.0 112.61 179.301 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . 0.468 ' HB2' ' OE2' ' D' ' 21' ' ' GLU . 10.6 t60 -49.69 -47.26 50.41 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -179.509 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.749 HD13 HG13 ' B' ' 2' ' ' VAL . 43.2 mt -86.6 -24.68 25.29 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.412 -178.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 43.7 t -68.26 -46.34 70.69 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 177.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . 0.516 ' HA3' ' HH ' ' B' ' 26' ' ' TYR . . . -67.62 -20.33 71.89 Favored Glycine 0 N--CA 1.449 -0.462 0 CA-C-N 115.42 -0.809 . . . . 0.0 112.728 179.253 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' SER . . . . . 0.456 ' HB3' ' O ' ' B' ' 6' ' ' LEU . 2.0 t -60.98 -19.11 60.74 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.466 0.651 . . . . 0.0 109.729 178.463 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . 0.689 ' HB3' HD23 ' F' ' 6' ' ' LEU . 88.9 m-70 -109.99 -20.69 12.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.851 179.807 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.79 HD12 ' HB2' ' A' ' 7' ' ' CYS . 73.4 mt -66.35 -30.86 71.34 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 178.708 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.648 HG22 HG22 ' D' ' 12' ' ' VAL . 20.4 m -67.35 -33.27 61.53 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.121 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.334 178.805 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 74.4 mt-10 -57.3 -53.94 52.41 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-O 121.408 0.623 . . . . 0.0 110.167 179.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.05 -56.12 24.68 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.879 -1.055 . . . . 0.0 111.878 -179.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 89.7 mt -55.17 -46.33 75.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.158 0.504 . . . . 0.0 111.637 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . 0.56 ' HE2' ' HE2' ' D' ' 26' ' ' TYR . 0.2 OUTLIER -62.15 -54.19 44.65 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.995 -178.745 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.411 ' N ' HD21 ' B' ' 17' ' ' LEU . 4.3 mm? -60.97 -46.12 92.02 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 -178.809 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . 0.433 HG23 ' HG ' ' A' ' 13' ' ' LEU . 99.1 t -66.12 -40.23 86.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 -179.238 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -76.29 -23.57 54.38 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.759 -179.182 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.11 -132.49 11.12 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.425 179.424 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.509 ' OE2' ' HB2' ' D' ' 5' ' ' HIS . 26.9 mm-40 -88.34 49.55 1.81 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.441 0.639 . . . . 0.0 109.702 179.331 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -125.3 -177.2 3.8 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.457 179.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . 0.773 ' CA ' ' HD2' ' D' ' 28' ' ' PRO . . . -113.27 175.69 16.77 Favored Glycine 0 N--CA 1.44 -1.045 0 C-N-CA 120.324 -0.941 . . . . 0.0 112.52 179.622 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . 0.722 ' HA ' ' HB2' ' A' ' 21' ' ' ASN . 5.7 p90 -151.34 141.54 22.28 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-O 121.488 0.661 . . . . 0.0 111.017 179.22 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . 0.426 ' HA ' ' HA ' ' D' ' 25' ' ' PHE . 11.0 p90 -99.12 101.32 12.63 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 106.926 -1.509 . . . . 0.0 106.926 177.432 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.567 ' HE2' ' HE2' ' D' ' 16' ' ' TYR . 12.0 t80 -107.14 102.96 12.25 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.45 -177.406 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' THR . . . . . 0.664 ' HA ' ' HA3' ' D' ' 23' ' ' GLY . 0.5 OUTLIER -114.34 82.29 7.35 Favored Pre-proline 0 C--N 1.321 -0.662 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.441 -179.029 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . 0.772 ' HD2' ' HA2' ' D' ' 23' ' ' GLY . 48.9 Cg_endo -70.48 82.3 0.91 Allowed 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.522 2.148 . . . . 0.0 110.452 178.638 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -134.05 149.21 51.15 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.597 -178.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 22.5 m . . . . . 0 C--O 1.254 1.29 0 CA-C-O 118.22 -0.895 . . . . 0.0 108.974 178.856 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.736 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' C' C ' 2' ' ' ILE . . . . . 0.456 HG21 ' N ' ' C' ' 3' ' ' VAL . 14.5 tt -63.89 -39.96 87.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.838 0.319 . . . . 0.0 111.09 -179.512 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 3' ' ' VAL . . . . . 0.574 ' O ' ' HB3' ' C' ' 7' ' ' CYS . 94.2 t -71.16 -44.63 73.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.722 0.772 . . . . 0.0 109.436 178.602 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -59.72 -30.19 68.64 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 114.644 -1.162 . . . . 0.0 111.688 179.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 5' ' ' GLN . . . . . 0.556 ' NE2' ' HH ' ' C' ' 19' ' ' TYR . 35.6 tt0 -100.82 -46.86 5.0 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 -177.613 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 6' ' ' CYS . . . . . 0.501 ' HB3' ' HB2' ' C' ' 11' ' ' CYS . 40.5 m -107.65 8.6 29.16 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 115.017 1.488 . . . . 0.0 115.017 -175.63 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 7' ' ' CYS . . . . . 0.768 ' HB2' HD12 ' D' ' 11' ' ' LEU . 8.6 t -111.28 -13.91 13.88 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 118.737 0.699 . . . . 0.0 110.139 178.693 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 10.3 t -75.4 -13.43 60.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.308 0.575 . . . . 0.0 109.78 178.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 25.9 t 178.29 169.28 0.79 Allowed 'General case' 0 CA--C 1.513 -0.47 0 N-CA-C 107.165 -1.42 . . . . 0.0 107.165 179.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . 0.577 ' N ' HD11 ' C' ' 10' ' ' ILE . 1.6 mp -62.25 121.5 10.92 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.715 0 CA-C-O 121.965 0.888 . . . . 0.0 110.644 -179.399 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 11' ' ' CYS . . . . . 0.501 ' HB2' ' HB3' ' C' ' 6' ' ' CYS . 2.7 t -82.12 159.99 23.23 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 114.349 -1.296 . . . . 0.0 110.535 -178.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 12' ' ' SER . . . . . 0.548 ' HB2' ' HB2' ' C' ' 15' ' ' GLN . 6.8 m -71.37 140.9 50.34 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.304 179.595 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 13' ' ' LEU . . . . . 0.427 ' HG ' HG23 ' D' ' 18' ' ' VAL . 10.3 tt -57.78 -47.37 82.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.991 -179.698 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -68.68 -26.12 65.14 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.481 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . 0.548 ' HB2' ' HB2' ' C' ' 12' ' ' SER . 5.5 tt0 -71.14 -39.5 71.93 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 179.048 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 16' ' ' LEU . . . . . 0.487 HD22 ' SG ' ' C' ' 6' ' ' CYS . 73.8 mt -71.61 -25.66 62.26 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.092 178.625 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -66.44 -22.81 66.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.588 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -81.31 -0.65 41.92 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.786 179.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 19' ' ' TYR . . . . . 0.556 ' HH ' ' NE2' ' C' ' 5' ' ' GLN . 8.3 m-85 -92.85 -96.68 0.14 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.286 179.382 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 53.1 m 55.08 -138.42 1.08 Allowed 'General case' 0 N--CA 1.465 0.308 0 O-C-N 123.18 0.3 . . . . 0.0 111.127 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 21' ' ' ASN . . . . . 0.697 ' HB2' ' HA ' ' D' ' 24' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--O 1.251 1.134 0 CA-C-O 118.48 -0.771 . . . . 0.0 109.14 179.327 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 5.7 p90 . . . . . 0 N--CA 1.48 1.072 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' D' D ' 2' ' ' VAL . . . . . 0.694 HG13 HD13 ' D' ' 6' ' ' LEU . 32.7 m -119.28 -156.94 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.835 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 3' ' ' ASN . . . . . 0.421 ' H ' HD12 ' G' ' 10' ' ' ILE . 25.7 t30 -142.53 -177.14 5.14 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.842 0.353 . . . . 0.0 111.228 -178.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -43.17 -40.25 3.23 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 124.552 1.141 . . . . 0.0 112.301 179.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 5' ' ' HIS . . . . . 0.509 ' HB2' ' OE2' ' B' ' 21' ' ' GLU . 10.5 t60 -49.05 -47.68 44.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 112.028 -179.394 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 6' ' ' LEU . . . . . 0.703 HD23 ' HB3' ' H' ' 10' ' ' HIS . 47.3 mt -86.53 -24.62 25.44 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.504 -178.761 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 7' ' ' CYS . . . . . . . . . . . . . 41.6 t -68.32 -45.94 71.56 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 177.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 8' ' ' GLY . . . . . 0.549 ' HA3' ' HH ' ' D' ' 26' ' ' TYR . . . -67.86 -20.72 72.73 Favored Glycine 0 N--CA 1.448 -0.523 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.65 179.237 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 9' ' ' SER . . . . . 0.464 ' HB3' ' O ' ' D' ' 6' ' ' LEU . 2.1 t -60.5 -19.23 56.26 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.368 0.604 . . . . 0.0 109.82 178.351 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 10' ' ' HIS . . . . . 0.676 ' HB3' HD23 ' L' ' 6' ' ' LEU . 88.8 m-70 -110.0 -20.52 12.7 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.831 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 11' ' ' LEU . . . . . 0.768 HD12 ' HB2' ' C' ' 7' ' ' CYS . 71.7 mt -66.54 -30.63 70.99 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 178.638 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 12' ' ' VAL . . . . . 0.648 HG22 HG22 ' B' ' 12' ' ' VAL . 20.8 m -67.48 -33.11 60.28 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.104 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.223 178.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -57.54 -54.21 49.4 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-O 121.36 0.6 . . . . 0.0 110.079 179.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.46 -56.94 14.38 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.998 -1.001 . . . . 0.0 111.752 -179.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 89.7 mt -54.79 -46.62 74.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.722 -179.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 16' ' ' TYR . . . . . 0.567 ' HE2' ' HE2' ' B' ' 26' ' ' TYR . 0.2 OUTLIER -61.69 -53.53 54.83 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.9 -178.833 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . 0.411 ' N ' HD21 ' D' ' 17' ' ' LEU . 4.3 mm? -61.46 -46.9 88.08 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -178.732 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . 0.427 HG23 ' HG ' ' C' ' 13' ' ' LEU . 97.0 t -65.67 -38.82 83.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -179.296 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -77.33 -24.75 50.74 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 122.146 -0.346 . . . . 0.0 111.565 -179.177 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.08 -132.33 11.01 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.223 179.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 21' ' ' GLU . . . . . 0.468 ' OE2' ' HB2' ' B' ' 5' ' ' HIS . 28.0 mm-40 -88.3 50.16 1.92 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.601 0.715 . . . . 0.0 109.75 179.33 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 22' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -125.21 -176.0 3.46 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.278 -0.874 . . . . 0.0 109.44 179.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 23' ' ' GLY . . . . . 0.772 ' HA2' ' HD2' ' B' ' 28' ' ' PRO . . . -113.9 176.11 16.88 Favored Glycine 0 N--CA 1.443 -0.891 0 C-N-CA 120.383 -0.913 . . . . 0.0 112.609 179.637 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 24' ' ' PHE . . . . . 0.697 ' HA ' ' HB2' ' C' ' 21' ' ' ASN . 5.6 p90 -152.22 140.95 20.92 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-O 121.361 0.601 . . . . 0.0 111.077 179.187 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 25' ' ' PHE . . . . . 0.426 ' HA ' ' HA ' ' B' ' 25' ' ' PHE . 11.9 p90 -98.92 100.52 11.71 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 106.927 -1.509 . . . . 0.0 106.927 177.635 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 26' ' ' TYR . . . . . 0.56 ' HE2' ' HE2' ' B' ' 16' ' ' TYR . 11.8 t80 -106.41 103.43 12.89 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.528 -177.402 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 27' ' ' THR . . . . . 0.68 ' HA ' ' HA3' ' B' ' 23' ' ' GLY . 0.4 OUTLIER -114.73 81.88 7.62 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.65 -178.727 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' D' D ' 28' ' ' PRO . . . . . 0.773 ' HD2' ' CA ' ' B' ' 23' ' ' GLY . 55.5 Cg_endo -70.58 82.92 0.88 Allowed 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 122.332 2.021 . . . . 0.0 110.592 178.663 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 56.9 tttp -134.47 149.29 50.71 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.519 -178.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 21.2 m . . . . . 0 C--O 1.252 1.221 0 CA-C-O 117.891 -1.052 . . . . 0.0 108.734 178.829 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.852 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' E' E ' 2' ' ' ILE . . . . . 0.431 HG21 ' N ' ' E' ' 3' ' ' VAL . 13.8 tt -64.45 -37.79 80.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.81 0.305 . . . . 0.0 111.281 -179.053 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' E' E ' 3' ' ' VAL . . . . . 0.571 ' O ' ' HB3' ' E' ' 7' ' ' CYS . 90.1 t -73.31 -44.26 55.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.674 0.75 . . . . 0.0 109.21 178.407 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' E' E ' 4' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -59.86 -29.66 68.45 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 114.806 -1.088 . . . . 0.0 111.635 179.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 5' ' ' GLN . . . . . 0.53 ' NE2' ' HH ' ' E' ' 19' ' ' TYR . 35.6 tt0 -101.72 -46.74 4.84 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 114.011 1.115 . . . . 0.0 114.011 -177.632 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' E' E ' 6' ' ' CYS . . . . . 0.484 ' SG ' HD22 ' E' ' 16' ' ' LEU . 45.5 m -107.96 8.92 28.67 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 115.065 1.505 . . . . 0.0 115.065 -175.561 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' E' E ' 7' ' ' CYS . . . . . 0.776 ' HB2' HD12 ' F' ' 11' ' ' LEU . 8.6 t -111.59 -13.21 13.83 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 121.638 -0.664 . . . . 0.0 110.199 178.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 9.2 t -76.22 -12.73 60.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.697 178.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 9' ' ' SER . . . . . . . . . . . . . 19.4 t 177.0 168.15 0.54 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.158 -1.423 . . . . 0.0 107.158 179.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 10' ' ' ILE . . . . . 0.567 ' N ' HD11 ' E' ' 10' ' ' ILE . 1.6 mp -61.43 121.78 10.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 121.649 0.738 . . . . 0.0 110.548 -179.293 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' E' E ' 11' ' ' CYS . . . . . 0.454 ' HB2' ' HB3' ' E' ' 6' ' ' CYS . 2.9 t -83.13 159.65 22.03 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 114.152 -1.385 . . . . 0.0 110.63 -178.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' E' E ' 12' ' ' SER . . . . . 0.576 ' HB2' ' HB2' ' E' ' 15' ' ' GLN . 6.0 m -70.1 142.27 52.64 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.458 179.601 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' E' E ' 13' ' ' LEU . . . . . 0.43 ' HG ' HG23 ' F' ' 18' ' ' VAL . 10.3 tt -59.93 -46.39 89.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.954 0.407 . . . . 0.0 110.779 -179.62 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -69.94 -25.4 63.64 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.526 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 15' ' ' GLN . . . . . 0.576 ' HB2' ' HB2' ' E' ' 12' ' ' SER . 5.5 tt0 -72.2 -38.32 69.05 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 178.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' E' E ' 16' ' ' LEU . . . . . 0.484 HD22 ' SG ' ' E' ' 6' ' ' CYS . 77.1 mt -72.84 -25.04 60.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.092 178.693 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' E' E ' 17' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -66.77 -23.86 66.13 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.72 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 18' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -78.83 -4.34 49.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.955 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 19' ' ' TYR . . . . . 0.53 ' HH ' ' NE2' ' E' ' 5' ' ' GLN . 9.0 m-85 -89.49 -97.87 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.443 179.663 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' E' E ' 20' ' ' CYS . . . . . 0.465 ' HB3' ' H ' ' E' ' 21' ' ' ASN . 44.5 m 56.1 -138.23 1.03 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.048 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' E' E ' 21' ' ' ASN . . . . . 0.736 ' HB2' ' HA ' ' F' ' 24' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.163 -0.922 . . . . 0.0 109.238 179.664 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' F' F ' 1' ' ' PHE . . . . . . . . . . . . . 5.4 p90 . . . . . 0 N--CA 1.481 1.11 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' F' F ' 2' ' ' VAL . . . . . 0.716 HG13 HD13 ' F' ' 6' ' ' LEU . 32.8 m -118.53 -156.47 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.709 179.642 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' F' F ' 3' ' ' ASN . . . . . 0.407 ' CG ' ' H ' ' F' ' 4' ' ' GLN . 28.9 t30 -143.52 -177.48 5.41 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 120.821 0.343 . . . . 0.0 111.256 -178.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' F' F ' 4' ' ' GLN . . . . . 0.43 ' CD ' ' HB2' ' F' ' 28' ' ' PRO . 23.8 tt0 -42.74 -40.71 2.91 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 124.488 1.115 . . . . 0.0 112.423 179.296 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' F' F ' 5' ' ' HIS . . . . . 0.474 ' HB2' ' OE2' ' H' ' 21' ' ' GLU . 11.1 t60 -48.89 -47.62 43.01 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -179.414 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' F' F ' 6' ' ' LEU . . . . . 0.716 HD13 HG13 ' F' ' 2' ' ' VAL . 42.9 mt -86.28 -24.69 25.86 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.484 -178.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' F' F ' 7' ' ' CYS . . . . . . . . . . . . . 42.2 t -68.32 -46.01 71.38 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 177.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 8' ' ' GLY . . . . . 0.545 ' HA3' ' HH ' ' F' ' 26' ' ' TYR . . . -67.98 -20.42 72.69 Favored Glycine 0 N--CA 1.447 -0.571 0 CA-C-N 115.361 -0.836 . . . . 0.0 112.619 179.394 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' F' F ' 9' ' ' SER . . . . . 0.462 ' HB3' ' O ' ' F' ' 6' ' ' LEU . 2.0 t -60.88 -19.0 59.48 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.405 0.621 . . . . 0.0 109.684 178.509 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' F' F ' 10' ' ' HIS . . . . . 0.678 ' HB3' HD23 ' J' ' 6' ' ' LEU . 88.8 m-70 -110.09 -20.83 12.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.819 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' F' F ' 11' ' ' LEU . . . . . 0.776 HD12 ' HB2' ' E' ' 7' ' ' CYS . 69.8 mt -66.32 -30.88 71.38 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 178.621 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' F' F ' 12' ' ' VAL . . . . . 0.648 HG22 HG22 ' H' ' 12' ' ' VAL . 21.0 m -67.14 -33.27 62.03 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.081 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.486 178.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' F' F ' 13' ' ' GLU . . . . . . . . . . . . . 74.5 mt-10 -57.47 -54.36 47.72 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 121.305 0.574 . . . . 0.0 110.032 179.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.59 -56.51 19.43 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.892 -1.049 . . . . 0.0 111.678 -179.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 15' ' ' LEU . . . . . . . . . . . . . 92.8 mt -54.89 -46.26 74.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.731 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 16' ' ' TYR . . . . . 0.546 ' HE2' ' HE2' ' H' ' 26' ' ' TYR . 0.2 OUTLIER -62.58 -53.78 49.57 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.976 -178.604 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' F' F ' 17' ' ' LEU . . . . . 0.429 HD11 ' HA ' ' F' ' 17' ' ' LEU . 4.3 mm? -61.09 -46.2 91.62 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -178.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . 0.43 HG23 ' HG ' ' E' ' 13' ' ' LEU . 96.4 t -66.24 -40.35 86.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -179.111 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' F' F ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -75.01 -26.98 59.93 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.673 -179.189 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' F' F ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.32 -131.6 10.62 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.234 179.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 21' ' ' GLU . . . . . 0.459 ' OE2' ' HB2' ' H' ' 5' ' ' HIS . 33.3 mm-40 -88.9 48.19 1.6 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.563 0.697 . . . . 0.0 109.748 179.351 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' F' F ' 22' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -123.71 -177.26 3.68 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.606 179.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 23' ' ' GLY . . . . . 0.775 ' CA ' ' HD2' ' H' ' 28' ' ' PRO . . . -113.64 175.17 16.22 Favored Glycine 0 N--CA 1.442 -0.965 0 C-N-CA 120.367 -0.921 . . . . 0.0 112.54 179.74 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' F' F ' 24' ' ' PHE . . . . . 0.736 ' HA ' ' HB2' ' E' ' 21' ' ' ASN . 5.7 p90 -150.9 141.6 22.72 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.478 0.656 . . . . 0.0 111.116 179.491 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' F' F ' 25' ' ' PHE . . . . . 0.437 ' HA ' ' HA ' ' H' ' 25' ' ' PHE . 11.2 p90 -99.05 100.57 11.74 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 106.839 -1.541 . . . . 0.0 106.839 177.7 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' F' F ' 26' ' ' TYR . . . . . 0.561 ' HE2' ' HE2' ' H' ' 16' ' ' TYR . 12.1 t80 -106.77 103.01 12.35 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.649 -177.256 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' F' F ' 27' ' ' THR . . . . . 0.669 ' HA ' ' HA3' ' H' ' 23' ' ' GLY . 0.3 OUTLIER -114.26 82.05 7.02 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.816 -178.92 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' F' F ' 28' ' ' PRO . . . . . 0.791 ' HD2' ' HA2' ' H' ' 23' ' ' GLY . 55.5 Cg_endo -70.24 82.43 0.85 Allowed 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.268 1.979 . . . . 0.0 110.555 178.536 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' F' F ' 29' ' ' LYS . . . . . . . . . . . . . 56.3 tttp -134.48 147.85 50.45 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.564 -178.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 30' ' ' THR . . . . . . . . . . . . . 18.9 m . . . . . 0 C--O 1.252 1.184 0 CA-C-O 117.64 -1.172 . . . . 0.0 108.5 178.622 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' G' G ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.411 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' G' G ' 2' ' ' ILE . . . . . 0.444 HG21 ' N ' ' G' ' 3' ' ' VAL . 14.2 tt -64.65 -38.8 83.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.881 0.341 . . . . 0.0 110.958 -179.365 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' G' G ' 3' ' ' VAL . . . . . 0.562 ' O ' ' HB3' ' G' ' 7' ' ' CYS . 90.5 t -72.32 -43.87 64.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.923 0.868 . . . . 0.0 109.523 178.737 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' G' G ' 4' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -60.02 -32.29 70.74 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 114.998 -1.001 . . . . 0.0 111.54 179.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' G' G ' 5' ' ' GLN . . . . . 0.558 ' NE2' ' HH ' ' G' ' 19' ' ' TYR . 35.9 tt0 -98.5 -46.54 5.71 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 -177.471 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' G' G ' 6' ' ' CYS . . . . . 0.494 ' SG ' HD22 ' G' ' 16' ' ' LEU . 44.4 m -108.03 8.16 28.15 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 115.129 1.529 . . . . 0.0 115.129 -175.65 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' G' G ' 7' ' ' CYS . . . . . 0.788 ' HB2' HD12 ' H' ' 11' ' ' LEU . 7.6 t -111.1 -12.74 14.13 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 118.67 0.668 . . . . 0.0 110.184 178.694 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' G' G ' 8' ' ' THR . . . . . . . . . . . . . 9.7 t -75.9 -13.83 60.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.352 0.596 . . . . 0.0 109.607 178.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' G' G ' 9' ' ' SER . . . . . . . . . . . . . 14.3 t 178.01 168.77 0.74 Allowed 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 106.977 -1.49 . . . . 0.0 106.977 179.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' G' G ' 10' ' ' ILE . . . . . 0.56 ' N ' HD11 ' G' ' 10' ' ' ILE . 1.6 mp -61.46 122.77 12.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-O 121.736 0.779 . . . . 0.0 110.5 -179.449 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' G' G ' 11' ' ' CYS . . . . . 0.47 ' HB2' ' HB3' ' G' ' 6' ' ' CYS . 2.5 t -83.75 160.97 21.15 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 114.142 -1.39 . . . . 0.0 110.41 -178.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' G' G ' 12' ' ' SER . . . . . 0.565 ' HB2' ' HB2' ' G' ' 15' ' ' GLN . 6.6 m -72.06 140.65 49.08 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.494 179.691 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' G' G ' 13' ' ' LEU . . . . . 0.429 ' HG ' HG23 ' H' ' 18' ' ' VAL . 10.2 tt -57.75 -47.53 82.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.854 -179.534 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -69.86 -23.99 63.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.524 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' G' G ' 15' ' ' GLN . . . . . 0.565 ' HB2' ' HB2' ' G' ' 12' ' ' SER . 5.4 tt0 -73.45 -37.69 65.73 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.995 -0.742 . . . . 0.0 108.995 179.004 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' G' G ' 16' ' ' LEU . . . . . 0.494 HD22 ' SG ' ' G' ' 6' ' ' CYS . 71.2 mt -73.37 -24.65 60.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.012 178.533 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' G' G ' 17' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -67.08 -22.91 65.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.573 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' G' G ' 18' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -81.03 -1.12 42.72 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 121.082 0.468 . . . . 0.0 110.825 179.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' G' G ' 19' ' ' TYR . . . . . 0.558 ' HH ' ' NE2' ' G' ' 5' ' ' GLN . 8.4 m-85 -92.17 -97.77 0.13 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.122 179.353 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' G' G ' 20' ' ' CYS . . . . . 0.436 ' HB3' ' H ' ' G' ' 21' ' ' ASN . 51.7 m 55.81 -138.49 1.03 Allowed 'General case' 0 C--O 1.233 0.188 0 O-C-N 123.203 0.315 . . . . 0.0 111.074 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' G' G ' 21' ' ' ASN . . . . . 0.726 ' HB2' ' HA ' ' H' ' 24' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--O 1.247 0.951 0 CA-C-O 117.964 -1.017 . . . . 0.0 109.012 179.449 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' H' H ' 1' ' ' PHE . . . . . . . . . . . . . 5.3 p90 . . . . . 0 N--CA 1.483 1.212 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' H' H ' 2' ' ' VAL . . . . . 0.764 HG13 HD13 ' H' ' 6' ' ' LEU . 32.7 m -118.5 -157.69 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 C-N-CA 121.257 -0.177 . . . . 0.0 110.604 179.62 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' H' H ' 3' ' ' ASN . . . . . 0.427 ' CG ' ' H ' ' H' ' 4' ' ' GLN . 32.7 t30 -142.67 -176.75 4.99 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 120.843 0.354 . . . . 0.0 111.323 -178.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' H' H ' 4' ' ' GLN . . . . . 0.427 ' H ' ' CG ' ' H' ' 3' ' ' ASN . 24.2 tt0 -42.34 -41.1 2.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 114.632 -1.167 . . . . 0.0 112.53 179.366 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' H' H ' 5' ' ' HIS . . . . . 0.459 ' HB2' ' OE2' ' F' ' 21' ' ' GLU . 10.1 t60 -48.72 -47.94 40.83 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 112.019 0.377 . . . . 0.0 112.019 -179.395 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' H' H ' 6' ' ' LEU . . . . . 0.764 HD13 HG13 ' H' ' 2' ' ' VAL . 39.2 mt -85.86 -24.72 26.58 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.596 -178.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' H' H ' 7' ' ' CYS . . . . . . . . . . . . . 43.0 t -68.54 -45.87 71.04 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 177.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' H' H ' 8' ' ' GLY . . . . . 0.51 ' HA2' ' HG ' ' H' ' 11' ' ' LEU . . . -67.77 -21.22 72.94 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.443 -0.799 . . . . 0.0 112.626 179.423 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' H' H ' 9' ' ' SER . . . . . 0.454 ' HB3' ' O ' ' H' ' 6' ' ' LEU . 2.1 t -60.18 -19.43 54.0 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.401 0.62 . . . . 0.0 109.829 178.47 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' H' H ' 10' ' ' HIS . . . . . 0.703 ' HB3' HD23 ' D' ' 6' ' ' LEU . 88.9 m-70 -109.73 -20.81 12.68 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.843 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' H' H ' 11' ' ' LEU . . . . . 0.788 HD12 ' HB2' ' G' ' 7' ' ' CYS . 69.3 mt -66.47 -30.75 71.16 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 178.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' H' H ' 12' ' ' VAL . . . . . 0.648 HG22 HG22 ' F' ' 12' ' ' VAL . 20.8 m -67.24 -33.53 63.43 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.114 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.261 178.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' H' H ' 13' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -57.18 -54.73 43.52 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-O 121.358 0.599 . . . . 0.0 109.93 179.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' H' H ' 14' ' ' ALA . . . . . 0.4 ' HA ' HD13 ' B' ' 17' ' ' LEU . . . -55.3 -56.8 15.88 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.831 -1.077 . . . . 0.0 111.811 -179.66 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' H' H ' 15' ' ' LEU . . . . . . . . . . . . . 95.6 mt -54.35 -47.24 72.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.066 0.46 . . . . 0.0 111.737 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' H' H ' 16' ' ' TYR . . . . . 0.561 ' HE2' ' HE2' ' F' ' 26' ' ' TYR . 0.2 OUTLIER -61.39 -53.81 51.81 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.038 -178.816 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' H' H ' 17' ' ' LEU . . . . . 0.419 ' HA ' HD11 ' H' ' 17' ' ' LEU . 4.3 mm? -61.25 -45.91 92.57 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -178.817 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . 0.429 HG23 ' HG ' ' G' ' 13' ' ' LEU . 95.0 t -66.78 -38.31 81.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 112.257 0.465 . . . . 0.0 112.257 -179.135 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' H' H ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -77.6 -25.79 50.17 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.93 -0.308 . . . . 0.0 111.453 -178.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' H' H ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.33 -132.69 11.26 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.285 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' H' H ' 21' ' ' GLU . . . . . 0.474 ' OE2' ' HB2' ' F' ' 5' ' ' HIS . 30.1 mm-40 -87.54 46.41 1.38 Allowed 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.546 0.689 . . . . 0.0 110.148 179.543 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' H' H ' 22' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -121.63 -175.93 3.2 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.916 179.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' H' H ' 23' ' ' GLY . . . . . 0.791 ' HA2' ' HD2' ' F' ' 28' ' ' PRO . . . -114.31 175.79 16.49 Favored Glycine 0 N--CA 1.443 -0.835 0 C-N-CA 120.436 -0.888 . . . . 0.0 112.633 179.67 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' H' H ' 24' ' ' PHE . . . . . 0.726 ' HA ' ' HB2' ' G' ' 21' ' ' ASN . 5.6 p90 -151.87 140.77 21.04 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-O 121.255 0.55 . . . . 0.0 111.246 179.304 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' H' H ' 25' ' ' PHE . . . . . 0.437 ' HA ' ' HA ' ' F' ' 25' ' ' PHE . 11.2 p90 -98.42 101.03 12.36 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 106.891 -1.522 . . . . 0.0 106.891 177.542 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' H' H ' 26' ' ' TYR . . . . . 0.546 ' HE2' ' HE2' ' F' ' 16' ' ' TYR . 11.7 t80 -106.84 103.29 12.69 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.446 -177.292 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' H' H ' 27' ' ' THR . . . . . 0.678 ' HA ' ' HA3' ' F' ' 23' ' ' GLY . 0.6 OUTLIER -114.72 82.47 8.13 Favored Pre-proline 0 C--N 1.319 -0.718 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.569 -178.851 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' H' H ' 28' ' ' PRO . . . . . 0.775 ' HD2' ' CA ' ' F' ' 23' ' ' GLY . 51.2 Cg_endo -70.41 83.07 0.83 Allowed 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.314 2.009 . . . . 0.0 110.502 178.527 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' H' H ' 29' ' ' LYS . . . . . . . . . . . . . 56.7 tttp -134.98 148.28 49.95 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.738 -178.31 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' H' H ' 30' ' ' THR . . . . . . . . . . . . . 20.0 m . . . . . 0 C--O 1.253 1.284 0 CA-C-O 117.935 -1.031 . . . . 0.0 108.839 178.96 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' I' I ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.684 0 N-CA-C 111.577 -0.609 . . . . 0.0 111.577 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' I' I ' 2' ' ' ILE . . . . . 0.444 HG21 ' N ' ' I' ' 3' ' ' VAL . 14.1 tt -64.77 -37.52 80.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.61 0.243 . . . . 0.0 111.329 -178.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' I' I ' 3' ' ' VAL . . . . . 0.562 ' O ' ' HB3' ' I' ' 7' ' ' CYS . 93.4 t -74.14 -42.81 51.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.931 0.872 . . . . 0.0 109.192 178.792 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' I' I ' 4' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -61.21 -30.59 70.52 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 114.632 -1.167 . . . . 0.0 111.43 179.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' I' I ' 5' ' ' GLN . . . . . 0.571 ' NE2' ' HH ' ' I' ' 19' ' ' TYR . 35.1 tt0 -100.23 -46.42 5.29 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 114.404 1.261 . . . . 0.0 114.404 -177.568 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' I' I ' 6' ' ' CYS . . . . . 0.502 ' HB3' ' HB2' ' I' ' 11' ' ' CYS . 48.8 m -108.11 7.71 27.76 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 114.87 1.433 . . . . 0.0 114.87 -175.568 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' I' I ' 7' ' ' CYS . . . . . 0.79 ' HB2' HD12 ' J' ' 11' ' ' LEU . 8.5 t -110.61 -13.1 14.27 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 118.695 0.679 . . . . 0.0 110.151 178.609 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' I' I ' 8' ' ' THR . . . . . . . . . . . . . 10.0 t -75.59 -13.59 60.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.32 0.581 . . . . 0.0 109.792 178.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' I' I ' 9' ' ' SER . . . . . . . . . . . . . 22.8 t 178.21 168.96 0.78 Allowed 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 106.953 -1.499 . . . . 0.0 106.953 179.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' I' I ' 10' ' ' ILE . . . . . 0.568 ' N ' HD11 ' I' ' 10' ' ' ILE . 1.6 mp -61.96 122.94 13.77 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.715 0 CA-C-O 121.664 0.745 . . . . 0.0 110.451 -179.453 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' I' I ' 11' ' ' CYS . . . . . 0.502 ' HB2' ' HB3' ' I' ' 6' ' ' CYS . 2.9 t -84.08 159.97 21.03 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 114.269 -1.332 . . . . 0.0 110.576 -178.588 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' I' I ' 12' ' ' SER . . . . . 0.575 ' HB2' ' HB2' ' I' ' 15' ' ' GLN . 3.6 m -69.6 142.32 53.55 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.228 179.517 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' I' I ' 13' ' ' LEU . . . . . 0.437 ' HG ' HG23 ' J' ' 18' ' ' VAL . 10.3 tt -59.77 -47.54 85.27 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.87 0.367 . . . . 0.0 110.537 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -68.93 -25.78 64.74 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.558 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' I' I ' 15' ' ' GLN . . . . . 0.575 ' HB2' ' HB2' ' I' ' 12' ' ' SER . 5.6 tt0 -72.48 -37.41 68.46 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 179.105 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' I' I ' 16' ' ' LEU . . . . . 0.481 HD22 ' SG ' ' I' ' 6' ' ' CYS . 65.5 mt -73.48 -24.51 60.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.06 178.558 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' I' I ' 17' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -67.58 -22.55 65.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.545 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' I' I ' 18' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -81.44 -0.43 41.56 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 121.072 0.463 . . . . 0.0 110.667 179.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' I' I ' 19' ' ' TYR . . . . . 0.571 ' HH ' ' NE2' ' I' ' 5' ' ' GLN . 8.8 m-30 -93.0 -96.95 0.14 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.188 179.407 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' I' I ' 20' ' ' CYS . . . . . . . . . . . . . 51.0 m 55.09 -137.89 1.13 Allowed 'General case' 0 N--CA 1.466 0.355 0 O-C-N 123.236 0.335 . . . . 0.0 111.087 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' I' I ' 21' ' ' ASN . . . . . 0.722 ' HB2' ' HA ' ' J' ' 24' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.044 0 CA-C-O 117.987 -1.006 . . . . 0.0 108.962 179.473 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' J' J ' 1' ' ' PHE . . . . . . . . . . . . . 5.7 p90 . . . . . 0 N--CA 1.48 1.036 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' J' J ' 2' ' ' VAL . . . . . 0.704 HG13 HD13 ' J' ' 6' ' ' LEU . 31.7 m -117.38 -155.23 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.059 179.755 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' J' J ' 3' ' ' ASN . . . . . . . . . . . . . 24.4 t30 -144.34 -177.5 5.5 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.854 0.359 . . . . 0.0 111.069 -178.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' J' J ' 4' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -43.04 -40.99 3.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 114.809 -1.087 . . . . 0.0 112.354 179.293 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' J' J ' 5' ' ' HIS . . . . . 0.469 ' HB2' ' OE2' ' L' ' 21' ' ' GLU . 10.1 t60 -48.32 -48.18 36.32 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -179.476 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' J' J ' 6' ' ' LEU . . . . . 0.704 HD13 HG13 ' J' ' 2' ' ' VAL . 46.6 mt -85.94 -24.28 26.61 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.653 -178.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' J' J ' 7' ' ' CYS . . . . . . . . . . . . . 41.5 t -68.77 -46.06 69.74 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 177.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' J' J ' 8' ' ' GLY . . . . . 0.544 ' HA3' ' HH ' ' J' ' 26' ' ' TYR . . . -67.46 -20.79 72.0 Favored Glycine 0 N--CA 1.449 -0.441 0 CA-C-N 115.332 -0.849 . . . . 0.0 112.593 179.235 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' J' J ' 9' ' ' SER . . . . . 0.463 ' HB3' ' O ' ' J' ' 6' ' ' LEU . 2.0 t -60.51 -19.76 57.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.468 0.652 . . . . 0.0 109.878 178.581 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' J' J ' 10' ' ' HIS . . . . . 0.7 ' HB3' HD23 ' B' ' 6' ' ' LEU . 89.1 m-70 -109.52 -20.61 12.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.814 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' J' J ' 11' ' ' LEU . . . . . 0.79 HD12 ' HB2' ' I' ' 7' ' ' CYS . 72.3 mt -66.65 -30.6 70.9 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 178.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' J' J ' 12' ' ' VAL . . . . . 0.643 HG22 HG22 ' L' ' 12' ' ' VAL . 22.0 m -67.23 -33.37 62.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.475 178.729 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' J' J ' 13' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -57.35 -54.28 48.64 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.401 0.619 . . . . 0.0 110.092 179.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' J' J ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.77 -56.64 18.06 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.994 -1.003 . . . . 0.0 111.762 -179.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' J' J ' 15' ' ' LEU . . . . . . . . . . . . . 93.2 mt -54.64 -46.37 73.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.683 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' J' J ' 16' ' ' TYR . . . . . 0.561 ' HE2' ' HE2' ' L' ' 26' ' ' TYR . 0.2 OUTLIER -62.2 -53.96 47.8 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.003 -178.754 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' J' J ' 17' ' ' LEU . . . . . 0.435 HD21 ' N ' ' J' ' 17' ' ' LEU . 4.4 mm? -61.26 -45.7 93.42 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -178.764 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' J' J ' 18' ' ' VAL . . . . . 0.437 HG23 ' HG ' ' I' ' 13' ' ' LEU . 99.1 t -66.85 -38.79 82.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 -179.239 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' J' J ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -77.12 -26.3 53.07 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.434 -178.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' J' J ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.83 -132.4 11.09 Favored Glycine 0 C--N 1.329 0.147 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.267 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' J' J ' 21' ' ' GLU . . . . . 0.483 ' OE2' ' HB2' ' L' ' 5' ' ' HIS . 27.1 mm-40 -87.82 46.84 1.42 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.415 0.626 . . . . 0.0 109.92 179.517 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' J' J ' 22' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -122.23 -176.17 3.29 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.93 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' J' J ' 23' ' ' GLY . . . . . 0.794 ' HA2' ' HD2' ' L' ' 28' ' ' PRO . . . -114.27 175.1 15.97 Favored Glycine 0 N--CA 1.443 -0.878 0 C-N-CA 120.363 -0.922 . . . . 0.0 112.445 179.727 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' J' J ' 24' ' ' PHE . . . . . 0.722 ' HA ' ' HB2' ' I' ' 21' ' ' ASN . 5.7 p90 -151.2 141.39 22.25 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.488 0.661 . . . . 0.0 111.207 179.328 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' J' J ' 25' ' ' PHE . . . . . 0.421 ' HA ' ' HA ' ' L' ' 25' ' ' PHE . 12.2 p90 -99.25 100.63 11.75 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 106.839 -1.541 . . . . 0.0 106.839 177.665 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' J' J ' 26' ' ' TYR . . . . . 0.556 ' HE2' ' HE2' ' L' ' 16' ' ' TYR . 11.8 t80 -106.55 102.73 12.09 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.57 -177.341 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' J' J ' 27' ' ' THR . . . . . 0.673 ' HA ' ' HA3' ' L' ' 23' ' ' GLY . 0.4 OUTLIER -113.98 82.1 6.62 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.775 -179.17 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' J' J ' 28' ' ' PRO . . . . . 0.785 ' HD2' ' HA2' ' L' ' 23' ' ' GLY . 54.7 Cg_endo -70.41 81.82 0.94 Allowed 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.433 2.089 . . . . 0.0 110.651 178.69 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' J' J ' 29' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -133.66 148.98 51.55 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.546 -178.371 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' J' J ' 30' ' ' THR . . . . . . . . . . . . . 14.8 m . . . . . 0 C--O 1.25 1.116 0 CA-C-O 117.969 -1.015 . . . . 0.0 109.46 179.182 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.821 0 N-CA-C 111.638 -0.585 . . . . 0.0 111.638 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' K' K ' 2' ' ' ILE . . . . . 0.445 HG21 ' N ' ' K' ' 3' ' ' VAL . 13.1 tt -67.18 -37.55 79.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 120.633 0.254 . . . . 0.0 110.816 -179.087 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' K' K ' 3' ' ' VAL . . . . . 0.583 ' O ' ' HB3' ' K' ' 7' ' ' CYS . 86.4 t -73.21 -43.88 56.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.897 0.856 . . . . 0.0 109.229 178.682 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' K' K ' 4' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -59.78 -31.3 69.55 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 114.663 -1.153 . . . . 0.0 111.552 179.348 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' K' K ' 5' ' ' GLN . . . . . 0.54 ' NE2' ' HH ' ' K' ' 19' ' ' TYR . 35.8 tt0 -100.09 -46.07 5.44 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 114.444 1.275 . . . . 0.0 114.444 -177.562 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' K' K ' 6' ' ' CYS . . . . . 0.537 ' HB3' ' HB2' ' K' ' 11' ' ' CYS . 45.0 m -108.52 8.03 27.07 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 115.02 1.489 . . . . 0.0 115.02 -175.651 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' K' K ' 7' ' ' CYS . . . . . 0.802 ' HB2' HD12 ' L' ' 11' ' ' LEU . 8.2 t -111.0 -12.96 14.17 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 118.643 0.656 . . . . 0.0 110.216 178.592 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' K' K ' 8' ' ' THR . . . . . . . . . . . . . 10.3 t -75.85 -13.61 60.28 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.386 0.613 . . . . 0.0 109.618 178.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' K' K ' 9' ' ' SER . . . . . . . . . . . . . 20.8 t 178.77 169.9 0.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.062 -1.458 . . . . 0.0 107.062 179.176 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' K' K ' 10' ' ' ILE . . . . . 0.564 ' N ' HD11 ' K' ' 10' ' ' ILE . 1.6 mp -63.05 121.47 12.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 121.856 0.836 . . . . 0.0 110.532 -179.34 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' K' K ' 11' ' ' CYS . . . . . 0.537 ' HB2' ' HB3' ' K' ' 6' ' ' CYS . 2.9 t -82.1 160.31 23.19 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.488 -1.233 . . . . 0.0 110.654 -178.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' K' K ' 12' ' ' SER . . . . . 0.553 ' HB2' ' HB2' ' K' ' 15' ' ' GLN . 6.1 m -71.29 141.37 50.52 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.27 179.653 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' K' K ' 13' ' ' LEU . . . . . 0.435 ' HG ' HG23 ' L' ' 18' ' ' VAL . 10.3 tt -58.71 -47.03 85.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.766 -179.503 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -69.59 -24.42 63.68 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.584 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' K' K ' 15' ' ' GLN . . . . . 0.553 ' HB2' ' HB2' ' K' ' 12' ' ' SER . 5.5 tt0 -73.53 -37.32 65.65 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 179.1 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' K' K ' 16' ' ' LEU . . . . . 0.481 HD22 ' SG ' ' K' ' 6' ' ' CYS . 71.4 mt -73.44 -25.41 60.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.071 178.669 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' K' K ' 17' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -67.11 -22.51 65.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.632 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' K' K ' 18' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -80.26 -3.53 49.6 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.727 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' K' K ' 19' ' ' TYR . . . . . 0.54 ' HH ' ' NE2' ' K' ' 5' ' ' GLN . 8.6 m-85 -90.2 -96.81 0.11 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.472 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' K' K ' 20' ' ' CYS . . . . . . . . . . . . . 53.4 m 54.84 -137.87 1.14 Allowed 'General case' 0 N--CA 1.463 0.215 0 O-C-N 123.207 0.317 . . . . 0.0 110.853 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' K' K ' 21' ' ' ASN . . . . . 0.716 ' HB2' ' HA ' ' L' ' 24' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--O 1.247 0.93 0 CA-C-O 118.511 -0.757 . . . . 0.0 109.335 179.323 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' L' L ' 1' ' ' PHE . . . . . . . . . . . . . 5.9 p90 . . . . . 0 N--CA 1.48 1.041 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' L' L ' 2' ' ' VAL . . . . . 0.737 HG13 HD13 ' L' ' 6' ' ' LEU . 32.9 m -117.25 -153.84 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.97 -179.814 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' L' L ' 3' ' ' ASN . . . . . 0.409 ' CG ' ' H ' ' L' ' 4' ' ' GLN . 29.6 t30 -145.64 -177.49 5.6 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.872 0.368 . . . . 0.0 111.068 -179.092 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' L' L ' 4' ' ' GLN . . . . . 0.409 ' H ' ' CG ' ' L' ' 3' ' ' ASN . 22.1 tt0 -42.99 -40.6 3.07 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 114.661 -1.154 . . . . 0.0 112.318 179.304 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' L' L ' 5' ' ' HIS . . . . . 0.483 ' HB2' ' OE2' ' J' ' 21' ' ' GLU . 10.3 t60 -48.8 -47.87 41.85 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.041 0.386 . . . . 0.0 112.041 -179.497 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' L' L ' 6' ' ' LEU . . . . . 0.737 HD13 HG13 ' L' ' 2' ' ' VAL . 43.8 mt -86.19 -24.31 26.17 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.562 -178.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' L' L ' 7' ' ' CYS . . . . . . . . . . . . . 41.9 t -68.64 -46.21 69.8 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 177.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' L' L ' 8' ' ' GLY . . . . . 0.518 ' HA3' ' HH ' ' L' ' 26' ' ' TYR . . . -67.51 -20.81 72.12 Favored Glycine 0 N--CA 1.448 -0.536 0 CA-C-N 115.379 -0.828 . . . . 0.0 112.596 179.268 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' L' L ' 9' ' ' SER . . . . . 0.448 ' HB3' ' O ' ' L' ' 6' ' ' LEU . 2.1 t -60.59 -19.27 57.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.326 0.584 . . . . 0.0 109.782 178.487 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' L' L ' 10' ' ' HIS . . . . . 0.685 ' HB3' HD23 ' H' ' 6' ' ' LEU . 89.1 m-70 -110.04 -20.42 12.72 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.76 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' L' L ' 11' ' ' LEU . . . . . 0.802 HD12 ' HB2' ' K' ' 7' ' ' CYS . 73.1 mt -66.29 -30.93 71.45 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 178.657 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' L' L ' 12' ' ' VAL . . . . . 0.643 HG22 HG22 ' J' ' 12' ' ' VAL . 21.9 m -67.22 -33.37 62.47 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.143 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.324 178.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' L' L ' 13' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -57.37 -54.41 47.12 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-O 121.346 0.594 . . . . 0.0 109.957 179.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' L' L ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.7 -56.04 25.12 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.861 -179.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' L' L ' 15' ' ' LEU . . . . . . . . . . . . . 94.0 mt -55.21 -46.34 75.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.701 -179.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' L' L ' 16' ' ' TYR . . . . . 0.556 ' HE2' ' HE2' ' J' ' 26' ' ' TYR . 0.2 OUTLIER -62.23 -53.5 54.34 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.627 -0.715 . . . . 0.0 112.034 -178.791 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' L' L ' 17' ' ' LEU . . . . . 0.43 HD11 ' HE2' ' J' ' 5' ' ' HIS . 4.4 mm? -61.65 -45.79 92.52 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -178.732 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' L' L ' 18' ' ' VAL . . . . . 0.435 HG23 ' HG ' ' K' ' 13' ' ' LEU . 90.4 t -66.6 -38.34 81.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 -179.308 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' L' L ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -78.17 -24.18 47.33 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.787 -0.365 . . . . 0.0 111.465 -178.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' L' L ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.5 -132.66 11.25 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.327 179.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' L' L ' 21' ' ' GLU . . . . . 0.469 ' OE2' ' HB2' ' J' ' 5' ' ' HIS . 27.8 mm-40 -87.72 48.67 1.68 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.489 0.662 . . . . 0.0 109.864 179.594 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' L' L ' 22' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -124.6 -178.18 4.05 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.593 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' L' L ' 23' ' ' GLY . . . . . 0.785 ' HA2' ' HD2' ' J' ' 28' ' ' PRO . . . -112.11 175.11 16.9 Favored Glycine 0 N--CA 1.441 -0.994 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.853 179.591 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' L' L ' 24' ' ' PHE . . . . . 0.716 ' HA ' ' HB2' ' K' ' 21' ' ' ASN . 5.7 p90 -151.34 141.52 22.26 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 121.406 0.622 . . . . 0.0 111.025 179.409 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' L' L ' 25' ' ' PHE . . . . . 0.421 ' HA ' ' HA ' ' J' ' 25' ' ' PHE . 10.7 p90 -99.33 100.75 11.86 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 106.891 -1.522 . . . . 0.0 106.891 177.637 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' L' L ' 26' ' ' TYR . . . . . 0.561 ' HE2' ' HE2' ' J' ' 16' ' ' TYR . 12.1 t80 -106.56 103.04 12.4 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.833 -177.324 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' L' L ' 27' ' ' THR . . . . . 0.636 ' HA ' ' HA3' ' J' ' 23' ' ' GLY . 0.2 OUTLIER -114.2 82.12 6.98 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.632 -178.662 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' L' L ' 28' ' ' PRO . . . . . 0.794 ' HD2' ' HA2' ' J' ' 23' ' ' GLY . 51.7 Cg_endo -70.57 80.62 1.09 Allowed 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.366 2.044 . . . . 0.0 110.773 178.678 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' L' L ' 29' ' ' LYS . . . . . . . . . . . . . 58.6 tttp . . . . . 0 C--N 1.32 -0.684 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.84 -178.431 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.599 0 N-CA-C 111.781 -0.528 . . . . 0.0 111.781 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.438 HD11 HG22 ' A' ' 2' ' ' ILE . 14.0 tt -65.15 -33.04 60.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 111.788 0.292 . . . . 0.0 111.788 -178.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.727 HG12 ' HG3' ' B' ' 4' ' ' GLN . 53.8 t -68.05 -56.68 11.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.619 -179.749 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.443 ' O ' HG22 ' A' ' 8' ' ' THR . 96.0 mt-10 -67.65 -15.82 63.84 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -179.561 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -88.05 -35.37 17.57 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.592 -0.443 . . . . 0.0 111.41 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 70.9 m -103.14 -26.85 12.86 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 -178.029 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.9 t -97.45 40.9 1.14 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.287 0.565 . . . . 0.0 111.337 -179.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.443 HG22 ' O ' ' A' ' 4' ' ' GLU . 0.2 OUTLIER -122.09 -48.44 2.11 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 178.251 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.9 m -149.14 17.71 0.96 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.769 178.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.471 HD13 HG22 ' F' ' 2' ' ' VAL . 2.1 mp 70.39 132.87 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.979 179.759 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 44.7 m -82.02 153.84 25.97 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.206 -0.907 . . . . 0.0 111.542 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.9 t -78.68 162.47 26.18 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.643 178.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 39.4 tp -54.82 -40.38 69.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.088 0.471 . . . . 0.0 110.895 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 59.6 m-85 -74.46 -15.67 60.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.838 -0.619 . . . . 0.0 112.412 -179.087 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.441 ' HA ' ' ND2' ' A' ' 18' ' ' ASN . 82.1 mt-30 -85.61 -40.64 16.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.856 0.36 . . . . 0.0 110.755 179.21 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.598 HD21 HD22 ' B' ' 15' ' ' LEU . 60.2 mt -67.05 -33.6 75.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.447 -179.681 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 61.0 tt0 -67.14 -15.18 63.56 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.222 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.441 ' ND2' ' HA ' ' A' ' 15' ' ' GLN . 83.8 m-20 -70.76 -19.26 62.74 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.018 0.437 . . . . 0.0 110.641 179.2 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -101.5 -1.18 33.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.129 0.49 . . . . 0.0 110.308 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 11.1 t -83.6 156.75 22.57 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.805 -179.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.2 m120 . . . . . 0 C--O 1.246 0.906 0 CA-C-O 118.689 -0.672 . . . . 0.0 110.135 179.735 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 3.3 p90 . . . . . 0 N--CA 1.481 1.102 0 CA-C-O 121.742 0.782 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . 0.502 HG22 HD13 ' I' ' 10' ' ' ILE . 6.0 p -123.0 90.87 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-O 121.928 0.87 . . . . 0.0 110.687 -179.571 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -169.43 -57.74 0.02 OUTLIER 'General case' 0 C--O 1.216 -0.666 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.282 -179.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . 0.727 ' HG3' HG12 ' A' ' 3' ' ' VAL . 42.8 tt0 -51.64 -37.97 52.65 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.993 0.425 . . . . 0.0 111.921 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . 0.578 ' CE1' ' HA ' ' D' ' 17' ' ' LEU . 27.2 t60 -83.03 -5.96 59.3 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 -177.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 13.7 mt -118.52 -40.46 2.91 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.572 0.701 . . . . 0.0 110.382 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . 0.417 ' O ' ' HG ' ' B' ' 11' ' ' LEU . 18.3 t -69.22 -40.29 78.06 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.888 -1.051 . . . . 0.0 110.63 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . 0.409 ' HA2' ' CD1' ' B' ' 11' ' ' LEU . . . -52.36 -34.76 41.99 Favored Glycine 0 C--N 1.338 0.641 0 CA-C-N 116.032 -0.531 . . . . 0.0 112.997 179.655 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' SER . . . . . 0.678 ' HB2' ' HG3' ' D' ' 13' ' ' GLU . 0.0 OUTLIER -58.29 -29.27 65.72 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 122.978 0.511 . . . . 0.0 111.894 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -94.57 -21.88 18.56 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 120.951 -0.3 . . . . 0.0 111.004 -179.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.451 ' O ' ' HG ' ' B' ' 15' ' ' LEU . 9.0 mt -70.75 -38.83 73.53 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 177.503 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 1.004 HG22 HG22 ' D' ' 12' ' ' VAL . 14.1 m -73.83 -34.43 40.19 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.788 179.356 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.672 ' HG3' ' HB2' ' D' ' 9' ' ' SER . 32.6 tt0 -61.44 -36.78 81.34 Favored 'General case' 0 C--N 1.34 0.166 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 179.187 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.81 -32.86 57.9 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.703 178.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.598 HD22 HD21 ' A' ' 16' ' ' LEU . 26.9 mt -58.05 -60.8 3.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 112.224 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . 0.914 ' HB3' ' HE2' ' B' ' 24' ' ' PHE . 7.9 p90 -72.26 -9.54 58.61 Favored 'General case' 0 C--N 1.333 -0.121 0 C-N-CA 120.006 -0.678 . . . . 0.0 110.484 -179.473 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.567 ' HA ' ' CE1' ' D' ' 5' ' ' HIS . 9.9 tt -73.51 -39.48 64.78 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.234 -1.025 . . . . 0.0 108.234 178.025 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 70.9 t -76.16 -42.97 37.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.699 178.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . 0.69 ' HB3' ' HB2' ' B' ' 22' ' ' ARG . 71.1 m -67.06 -41.13 86.97 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.722 -179.514 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.57 -95.28 0.61 Allowed Glycine 0 CA--C 1.507 -0.413 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.071 -179.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -92.0 -10.76 38.09 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.474 0.654 . . . . 0.0 109.491 179.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . 0.69 ' HB2' ' HB3' ' B' ' 19' ' ' CYS . 71.8 mtp180 -85.26 160.01 19.95 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.697 179.197 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . 0.653 ' HA2' ' HD2' ' D' ' 28' ' ' PRO . . . -108.1 -169.99 21.47 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.677 -0.773 . . . . 0.0 111.32 178.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . 0.914 ' HE2' ' HB3' ' B' ' 16' ' ' TYR . 29.1 p90 -161.36 159.5 28.44 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.169 0.509 . . . . 0.0 111.122 179.563 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 15.3 m-30 -104.06 110.6 22.83 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 178.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -110.18 99.74 8.75 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.243 0.544 . . . . 0.0 111.48 -178.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' THR . . . . . 0.608 ' HA ' ' HA3' ' D' ' 23' ' ' GLY . 5.1 m -119.18 99.26 50.7 Favored Pre-proline 0 C--N 1.315 -0.912 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 177.777 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . 0.652 ' HD2' ' HA2' ' D' ' 23' ' ' GLY . 30.0 Cg_endo -64.55 -114.82 0.0 OUTLIER 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.899 2.399 . . . . 0.0 112.356 -178.158 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.495 ' H ' ' HB2' ' B' ' 28' ' ' PRO . 76.4 tttt 72.83 -39.68 0.45 Allowed 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 122.996 0.518 . . . . 0.0 110.947 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' THR . . . . . 0.441 ' H ' ' C ' ' B' ' 28' ' ' PRO . 45.2 m . . . . . 0 C--O 1.251 1.136 0 CA-C-O 117.994 -1.003 . . . . 0.0 108.834 178.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.816 0 N-CA-C 111.444 -0.663 . . . . 0.0 111.444 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' C' C ' 2' ' ' ILE . . . . . 0.437 HD11 HG22 ' C' ' 2' ' ' ILE . 13.4 tt -68.13 -32.41 55.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.817 0.341 . . . . 0.0 111.376 -179.6 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 3' ' ' VAL . . . . . 0.745 HG12 ' HG3' ' D' ' 4' ' ' GLN . 52.9 t -68.21 -57.14 10.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.586 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 4' ' ' GLU . . . . . 0.466 ' O ' HG22 ' C' ' 8' ' ' THR . 93.5 mt-10 -68.51 -12.85 61.82 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -179.326 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -90.43 -37.25 14.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 122.048 -0.407 . . . . 0.0 111.07 179.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 70.7 m -100.72 -28.38 12.86 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 113.007 0.743 . . . . 0.0 113.007 -178.039 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 7' ' ' CYS . . . . . . . . . . . . . 8.4 t -96.27 41.17 1.11 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.368 0.604 . . . . 0.0 111.44 -179.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 8' ' ' THR . . . . . 0.466 HG22 ' O ' ' C' ' 4' ' ' GLU . 0.5 OUTLIER -122.19 -49.84 2.04 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 177.886 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 73.1 m -147.98 17.97 1.11 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.642 178.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . 0.473 HD13 HG22 ' L' ' 2' ' ' VAL . 2.1 mp 70.45 133.64 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 CA-C-N 115.175 -0.921 . . . . 0.0 111.818 179.613 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 46.4 m -82.87 153.76 24.96 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.45 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 33.1 t -78.36 163.0 26.05 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.507 178.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 39.6 tp -56.22 -38.01 70.46 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.174 0.511 . . . . 0.0 110.949 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -76.73 -14.93 59.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.028 -179.244 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . 0.414 ' HA ' ' ND2' ' C' ' 18' ' ' ASN . 83.2 mt-30 -86.3 -40.11 15.82 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.077 0.465 . . . . 0.0 110.487 179.334 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 16' ' ' LEU . . . . . 0.572 HD21 HD22 ' D' ' 15' ' ' LEU . 59.5 mt -67.41 -33.92 76.17 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.535 -179.696 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 64.3 tt0 -67.44 -14.59 63.07 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.147 -179.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 18' ' ' ASN . . . . . 0.414 ' ND2' ' HA ' ' C' ' 15' ' ' GLN . 82.3 m-20 -71.5 -18.79 62.26 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.89 0.376 . . . . 0.0 110.473 179.317 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -101.29 -1.85 32.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.107 0.479 . . . . 0.0 110.351 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 10.7 t -82.58 158.5 23.05 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.147 -179.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 5.5 m120 . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.773 -0.632 . . . . 0.0 110.172 179.741 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 3.2 p90 . . . . . 0 N--CA 1.482 1.143 0 CA-C-O 121.767 0.794 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' D' D ' 2' ' ' VAL . . . . . 0.477 HG22 HD13 ' G' ' 10' ' ' ILE . 5.9 p -122.68 89.98 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.853 0.835 . . . . 0.0 110.78 -179.404 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 3' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -168.38 -57.93 0.02 OUTLIER 'General case' 0 C--O 1.215 -0.715 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.348 -179.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 4' ' ' GLN . . . . . 0.745 ' HG3' HG12 ' C' ' 3' ' ' VAL . 46.4 tt0 -51.21 -38.89 54.95 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.919 0.39 . . . . 0.0 111.941 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 5' ' ' HIS . . . . . 0.567 ' CE1' ' HA ' ' B' ' 17' ' ' LEU . 26.7 t60 -81.9 -6.43 59.1 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 -177.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 13.2 mt -118.39 -40.59 2.91 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 121.671 0.748 . . . . 0.0 110.473 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 7' ' ' CYS . . . . . 0.424 ' O ' ' HG ' ' D' ' 11' ' ' LEU . 16.2 t -69.18 -39.95 78.39 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 114.802 -1.09 . . . . 0.0 110.693 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 8' ' ' GLY . . . . . 0.419 ' HA2' ' CD1' ' D' ' 11' ' ' LEU . . . -52.78 -34.44 44.6 Favored Glycine 0 C--N 1.334 0.446 0 CA-C-N 115.974 -0.557 . . . . 0.0 112.897 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 9' ' ' SER . . . . . 0.672 ' HB2' ' HG3' ' B' ' 13' ' ' GLU . 0.0 OUTLIER -58.61 -29.16 66.27 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 122.88 0.472 . . . . 0.0 111.887 -179.89 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' D' D ' 10' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -94.64 -21.81 18.56 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.836 -0.346 . . . . 0.0 111.114 -179.496 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 11' ' ' LEU . . . . . 0.444 ' O ' ' HG ' ' D' ' 15' ' ' LEU . 9.1 mt -70.71 -39.05 73.64 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 177.559 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 12' ' ' VAL . . . . . 1.004 HG22 HG22 ' B' ' 12' ' ' VAL . 15.2 m -73.72 -34.17 40.2 Favored 'Isoleucine or valine' 0 C--O 1.232 0.158 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.802 179.415 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 13' ' ' GLU . . . . . 0.678 ' HG3' ' HB2' ' B' ' 9' ' ' SER . 33.2 tt0 -61.69 -36.49 81.03 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 179.268 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.97 -33.18 57.66 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.582 178.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 15' ' ' LEU . . . . . 0.572 HD22 HD21 ' C' ' 16' ' ' LEU . 25.8 mt -57.75 -60.91 2.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.091 -179.658 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 16' ' ' TYR . . . . . 0.929 ' HB3' ' HE2' ' D' ' 24' ' ' PHE . 8.0 p90 -72.19 -9.55 58.59 Favored 'General case' 0 C--N 1.334 -0.108 0 C-N-CA 120.057 -0.657 . . . . 0.0 110.607 -179.51 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . 0.578 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 9.5 tt -73.36 -40.25 64.53 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.223 -1.028 . . . . 0.0 108.223 177.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 67.2 t -75.55 -42.67 42.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.899 178.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 19' ' ' CYS . . . . . 0.713 ' HB3' ' HB2' ' D' ' 22' ' ' ARG . 71.2 m -67.77 -40.3 84.02 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.293 -0.867 . . . . 0.0 111.679 -179.508 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.17 -96.27 0.61 Allowed Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.901 -0.666 . . . . 0.0 111.866 -179.463 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -89.44 -15.49 33.03 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.453 0.644 . . . . 0.0 109.589 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 22' ' ' ARG . . . . . 0.713 ' HB2' ' HB3' ' D' ' 19' ' ' CYS . 69.8 mtp180 -80.75 161.21 24.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.14 179.415 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 23' ' ' GLY . . . . . 0.652 ' HA2' ' HD2' ' B' ' 28' ' ' PRO . . . -109.65 -170.25 20.27 Favored Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 178.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 24' ' ' PHE . . . . . 0.929 ' HE2' ' HB3' ' D' ' 16' ' ' TYR . 29.8 p90 -160.91 159.26 29.45 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.208 0.527 . . . . 0.0 111.081 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 25' ' ' PHE . . . . . . . . . . . . . 15.5 m-30 -104.16 109.02 20.66 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.717 -0.845 . . . . 0.0 108.717 178.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 26' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -108.73 98.76 8.21 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.143 0.497 . . . . 0.0 111.872 -178.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 27' ' ' THR . . . . . 0.603 ' HA ' ' HA3' ' B' ' 23' ' ' GLY . 5.7 m -118.26 99.9 51.7 Favored Pre-proline 0 C--N 1.312 -1.05 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 177.678 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 28' ' ' PRO . . . . . 0.653 ' HD2' ' HA2' ' B' ' 23' ' ' GLY . 30.1 Cg_endo -65.21 -113.78 0.0 OUTLIER 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 123.003 2.468 . . . . 0.0 112.292 -178.028 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 29' ' ' LYS . . . . . 0.481 ' H ' ' HB2' ' D' ' 28' ' ' PRO . 77.9 tttt 72.17 -39.49 0.45 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.093 0.557 . . . . 0.0 110.911 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 30' ' ' THR . . . . . 0.457 ' H ' ' C ' ' D' ' 28' ' ' PRO . 60.0 m . . . . . 0 C--O 1.25 1.117 0 CA-C-O 117.921 -1.038 . . . . 0.0 108.82 178.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.198 0 N-CA-C 111.821 -0.511 . . . . 0.0 111.821 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' E' E ' 2' ' ' ILE . . . . . 0.432 HD11 HG22 ' E' ' 2' ' ' ILE . 13.9 tt -67.0 -32.57 58.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 -179.353 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' E' E ' 3' ' ' VAL . . . . . 0.774 HG12 ' HG3' ' F' ' 4' ' ' GLN . 55.5 t -68.0 -57.22 10.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.583 -179.655 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' E' E ' 4' ' ' GLU . . . . . 0.43 ' O ' HG22 ' E' ' 8' ' ' THR . 93.5 mt-10 -68.59 -12.63 61.56 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -179.1 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -90.86 -37.18 13.75 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.843 0.354 . . . . 0.0 110.668 179.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 6' ' ' CYS . . . . . . . . . . . . . 71.3 m -101.35 -27.09 13.36 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.18 0.807 . . . . 0.0 113.18 -177.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 7' ' ' CYS . . . . . . . . . . . . . 8.3 t -96.84 40.07 1.15 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.291 0.567 . . . . 0.0 111.214 -179.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 8' ' ' THR . . . . . 0.43 HG22 ' O ' ' E' ' 4' ' ' GLU . 0.2 OUTLIER -120.93 -50.14 2.18 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 178.012 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' E' E ' 9' ' ' SER . . . . . . . . . . . . . 73.7 m -147.68 18.75 1.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.639 178.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 10' ' ' ILE . . . . . 0.496 HD13 HG22 ' J' ' 2' ' ' VAL . 2.1 mp 70.37 134.83 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 CA-C-N 115.223 -0.899 . . . . 0.0 111.792 179.788 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' E' E ' 11' ' ' CYS . . . . . . . . . . . . . 38.2 m -83.95 155.35 22.87 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.355 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 12' ' ' SER . . . . . . . . . . . . . 30.6 t -79.87 162.4 25.05 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.621 178.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 40.2 tp -55.91 -37.39 68.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.194 0.521 . . . . 0.0 111.042 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -77.92 -14.04 59.68 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.76 -0.655 . . . . 0.0 112.216 -179.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 15' ' ' GLN . . . . . 0.431 ' HA ' ' ND2' ' E' ' 18' ' ' ASN . 83.3 mt-30 -87.01 -40.65 14.54 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.075 0.464 . . . . 0.0 110.224 179.337 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' E' E ' 16' ' ' LEU . . . . . 0.604 HD21 HD22 ' F' ' 15' ' ' LEU . 59.8 mt -66.38 -33.83 76.59 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.625 -179.735 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' E' E ' 17' ' ' GLU . . . . . . . . . . . . . 62.1 tt0 -67.05 -16.41 64.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.82 0.343 . . . . 0.0 111.09 -179.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 18' ' ' ASN . . . . . 0.431 ' ND2' ' HA ' ' E' ' 15' ' ' GLN . 83.0 m-20 -68.94 -20.83 64.22 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.789 0.328 . . . . 0.0 110.491 179.02 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' E' E ' 19' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -99.93 -1.43 37.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.073 0.463 . . . . 0.0 110.739 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 20' ' ' CYS . . . . . . . . . . . . . 11.2 t -83.82 157.19 22.13 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.062 -179.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 21' ' ' ASN . . . . . . . . . . . . . 5.3 m120 . . . . . 0 C--O 1.246 0.87 0 CA-C-O 118.8 -0.619 . . . . 0.0 109.932 179.627 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' F' F ' 1' ' ' PHE . . . . . . . . . . . . . 3.9 p90 . . . . . 0 N--CA 1.48 1.065 0 CA-C-O 121.751 0.786 . . . . 0.0 110.816 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' F' F ' 2' ' ' VAL . . . . . 0.471 HG22 HD13 ' A' ' 10' ' ' ILE . 5.5 p -125.96 87.61 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 121.81 0.814 . . . . 0.0 110.744 -179.472 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' F' F ' 3' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -166.46 -57.39 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.203 -179.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 4' ' ' GLN . . . . . 0.774 ' HG3' HG12 ' E' ' 3' ' ' VAL . 43.8 tt0 -51.47 -37.67 50.07 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' F' F ' 5' ' ' HIS . . . . . 0.569 ' CE1' ' HA ' ' H' ' 17' ' ' LEU . 26.9 t60 -82.86 -6.67 59.55 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 113.239 0.829 . . . . 0.0 113.239 -177.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' F' F ' 6' ' ' LEU . . . . . . . . . . . . . 13.9 mt -117.97 -41.22 2.91 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 121.703 0.763 . . . . 0.0 110.426 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 7' ' ' CYS . . . . . . . . . . . . . 15.9 t -68.51 -40.6 80.78 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.773 -1.103 . . . . 0.0 110.508 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 8' ' ' GLY . . . . . 0.405 ' HA2' ' CD1' ' F' ' 11' ' ' LEU . . . -52.13 -34.86 40.42 Favored Glycine 0 C--N 1.337 0.635 0 CA-C-N 116.023 -0.535 . . . . 0.0 113.099 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' F' F ' 9' ' ' SER . . . . . 0.662 ' HB2' ' HG3' ' H' ' 13' ' ' GLU . 0.0 OUTLIER -58.33 -28.93 65.53 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 122.838 0.455 . . . . 0.0 111.996 -179.755 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' F' F ' 10' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -94.74 -21.85 18.48 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.953 -179.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 11' ' ' LEU . . . . . 0.447 ' O ' ' HG ' ' F' ' 15' ' ' LEU . 9.0 mt -70.78 -39.13 73.35 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 177.534 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' F' F ' 12' ' ' VAL . . . . . 1.041 HG22 HG22 ' H' ' 12' ' ' VAL . 14.4 m -73.68 -34.34 40.98 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.786 179.388 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' F' F ' 13' ' ' GLU . . . . . 0.65 ' HG3' ' HB2' ' H' ' 9' ' ' SER . 32.6 tt0 -61.35 -36.88 81.42 Favored 'General case' 0 N--CA 1.462 0.159 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 179.252 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' F' F ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.92 -32.76 57.6 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.488 178.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 15' ' ' LEU . . . . . 0.604 HD22 HD21 ' E' ' 16' ' ' LEU . 26.3 mt -58.06 -60.7 3.33 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' F' F ' 16' ' ' TYR . . . . . 0.924 ' HB3' ' HE2' ' F' ' 24' ' ' PHE . 8.0 p90 -72.46 -9.34 58.41 Favored 'General case' 0 N--CA 1.463 0.198 0 C-N-CA 119.94 -0.704 . . . . 0.0 110.389 -179.48 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' F' F ' 17' ' ' LEU . . . . . 0.578 ' HA ' ' CE1' ' H' ' 5' ' ' HIS . 9.4 tt -73.58 -40.85 63.59 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 177.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 76.7 t -74.51 -42.94 49.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.869 178.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 19' ' ' CYS . . . . . 0.714 ' HB3' ' HB2' ' F' ' 22' ' ' ARG . 71.3 m -67.57 -41.55 83.98 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.199 -0.91 . . . . 0.0 111.71 -179.522 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' F' F ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.24 -97.18 0.75 Allowed Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.847 -0.692 . . . . 0.0 111.817 -179.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 21' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -89.04 -14.44 36.41 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.46 0.648 . . . . 0.0 109.56 179.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 22' ' ' ARG . . . . . 0.714 ' HB2' ' HB3' ' F' ' 19' ' ' CYS . 71.5 mtp180 -81.4 160.53 24.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.122 179.272 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' F' F ' 23' ' ' GLY . . . . . 0.668 ' HA2' ' HD2' ' H' ' 28' ' ' PRO . . . -109.23 -170.47 20.61 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.588 -0.815 . . . . 0.0 111.53 179.064 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' F' F ' 24' ' ' PHE . . . . . 0.924 ' HE2' ' HB3' ' F' ' 16' ' ' TYR . 29.7 p90 -160.87 159.41 29.74 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 117.307 0.554 . . . . 0.0 111.247 179.628 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' F' F ' 25' ' ' PHE . . . . . . . . . . . . . 15.5 m-30 -104.49 107.73 18.81 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 179.062 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 26' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -107.55 99.67 9.15 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.265 0.555 . . . . 0.0 111.971 -178.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 27' ' ' THR . . . . . 0.591 ' HA ' ' HA3' ' H' ' 23' ' ' GLY . 4.5 m -118.73 99.3 51.3 Favored Pre-proline 0 C--N 1.315 -0.899 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 177.698 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' F' F ' 28' ' ' PRO . . . . . 0.66 ' HD2' ' HA2' ' H' ' 23' ' ' GLY . 32.1 Cg_endo -64.59 -113.79 0.0 OUTLIER 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.833 2.355 . . . . 0.0 112.638 -178.35 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' F' F ' 29' ' ' LYS . . . . . 0.449 ' H ' ' HB2' ' F' ' 28' ' ' PRO . 76.8 tttt 72.25 -41.04 0.49 Allowed 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 123.175 0.59 . . . . 0.0 110.861 -179.722 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' F' F ' 30' ' ' THR . . . . . 0.462 ' H ' ' C ' ' F' ' 28' ' ' PRO . 41.0 m . . . . . 0 C--O 1.253 1.273 0 CA-C-O 117.846 -1.073 . . . . 0.0 108.456 178.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' G' G ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.106 0 N-CA-C 111.589 -0.604 . . . . 0.0 111.589 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' G' G ' 2' ' ' ILE . . . . . . . . . . . . . 13.5 tt -66.48 -32.26 57.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 -179.197 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' G' G ' 3' ' ' VAL . . . . . 0.761 HG12 ' HG3' ' H' ' 4' ' ' GLN . 56.6 t -68.63 -56.25 13.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 C-N-CA 121.166 -0.214 . . . . 0.0 111.522 -179.698 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' G' G ' 4' ' ' GLU . . . . . 0.418 ' O ' HG22 ' G' ' 8' ' ' THR . 96.5 mt-10 -69.06 -13.27 62.35 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -179.402 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' G' G ' 5' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -90.1 -37.9 13.92 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.901 179.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' G' G ' 6' ' ' CYS . . . . . . . . . . . . . 71.3 m -100.31 -27.47 13.46 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 -177.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' G' G ' 7' ' ' CYS . . . . . . . . . . . . . 8.6 t -96.71 40.59 1.13 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.337 0.589 . . . . 0.0 111.186 -179.348 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' G' G ' 8' ' ' THR . . . . . 0.418 HG22 ' O ' ' G' ' 4' ' ' GLU . 0.2 OUTLIER -121.72 -50.04 2.09 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 178.161 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' G' G ' 9' ' ' SER . . . . . . . . . . . . . 57.9 m -146.95 16.67 1.22 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.754 178.354 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' G' G ' 10' ' ' ILE . . . . . 0.477 HD13 HG22 ' D' ' 2' ' ' VAL . 2.1 mp 71.67 131.83 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.25 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.795 179.791 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' G' G ' 11' ' ' CYS . . . . . . . . . . . . . 48.2 m -80.5 153.97 27.83 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.64 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' G' G ' 12' ' ' SER . . . . . . . . . . . . . 40.7 t -78.72 162.86 25.87 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.485 178.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' G' G ' 13' ' ' LEU . . . . . . . . . . . . . 40.1 tp -56.16 -38.82 71.41 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.093 0.473 . . . . 0.0 110.865 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -75.92 -14.38 60.25 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.166 -179.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' G' G ' 15' ' ' GLN . . . . . 0.433 ' HA ' ' ND2' ' G' ' 18' ' ' ASN . 83.3 mt-30 -86.87 -40.49 14.84 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.997 0.427 . . . . 0.0 110.49 179.343 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' G' G ' 16' ' ' LEU . . . . . 0.64 HD21 HD22 ' H' ' 15' ' ' LEU . 56.1 mt -66.94 -33.69 76.14 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.504 -179.623 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' G' G ' 17' ' ' GLU . . . . . . . . . . . . . 65.2 tt0 -67.05 -16.21 64.2 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.198 -179.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' G' G ' 18' ' ' ASN . . . . . 0.433 ' ND2' ' HA ' ' G' ' 15' ' ' GLN . 82.4 m-20 -69.4 -20.48 63.81 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.772 0.32 . . . . 0.0 110.626 179.212 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' G' G ' 19' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -100.12 -1.54 36.47 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.486 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' G' G ' 20' ' ' CYS . . . . . . . . . . . . . 11.3 t -83.92 156.64 22.26 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.017 -179.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' G' G ' 21' ' ' ASN . . . . . . . . . . . . . 6.1 m120 . . . . . 0 C--O 1.246 0.911 0 CA-C-O 118.702 -0.666 . . . . 0.0 110.112 179.76 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' H' H ' 1' ' ' PHE . . . . . . . . . . . . . 3.5 p90 . . . . . 0 N--CA 1.48 1.049 0 CA-C-O 121.786 0.803 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' H' H ' 2' ' ' VAL . . . . . 0.464 HG22 HD13 ' K' ' 10' ' ' ILE . 5.7 p -123.18 90.19 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.723 0.773 . . . . 0.0 110.607 -179.632 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' H' H ' 3' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -168.76 -58.11 0.02 OUTLIER 'General case' 0 C--O 1.217 -0.622 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.145 -179.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' H' H ' 4' ' ' GLN . . . . . 0.761 ' HG3' HG12 ' G' ' 3' ' ' VAL . 43.8 tt0 -51.22 -37.71 48.44 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' H' H ' 5' ' ' HIS . . . . . 0.578 ' CE1' ' HA ' ' F' ' 17' ' ' LEU . 27.5 t60 -83.11 -6.3 59.43 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 -177.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' H' H ' 6' ' ' LEU . . . . . . . . . . . . . 13.2 mt -118.33 -40.85 2.89 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 121.591 0.71 . . . . 0.0 110.389 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' H' H ' 7' ' ' CYS . . . . . 0.408 ' O ' ' HG ' ' H' ' 11' ' ' LEU . 16.3 t -68.92 -40.27 79.18 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 114.81 -1.086 . . . . 0.0 110.621 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' H' H ' 8' ' ' GLY . . . . . . . . . . . . . . . -52.65 -34.0 42.77 Favored Glycine 0 C--N 1.337 0.591 0 CA-C-N 116.012 -0.54 . . . . 0.0 113.094 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' H' H ' 9' ' ' SER . . . . . 0.65 ' HB2' ' HG3' ' F' ' 13' ' ' GLU . 0.0 OUTLIER -58.66 -28.99 66.24 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 122.884 0.474 . . . . 0.0 111.837 -179.912 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' H' H ' 10' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -95.01 -21.81 18.35 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.885 -179.476 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' H' H ' 11' ' ' LEU . . . . . 0.435 ' O ' ' HG ' ' H' ' 15' ' ' LEU . 9.0 mt -70.63 -39.07 73.93 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 107.537 -1.283 . . . . 0.0 107.537 177.433 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' H' H ' 12' ' ' VAL . . . . . 1.041 HG22 HG22 ' F' ' 12' ' ' VAL . 14.9 m -73.72 -34.0 39.74 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.921 179.399 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' H' H ' 13' ' ' GLU . . . . . 0.662 ' HG3' ' HB2' ' F' ' 9' ' ' SER . 33.4 tt0 -61.86 -36.65 81.87 Favored 'General case' 0 C--N 1.34 0.196 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 179.248 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' H' H ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.89 -32.74 57.65 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.602 178.105 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' H' H ' 15' ' ' LEU . . . . . 0.64 HD22 HD21 ' G' ' 16' ' ' LEU . 25.0 mt -58.19 -60.56 3.57 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -179.671 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' H' H ' 16' ' ' TYR . . . . . 0.937 ' HB3' ' HE2' ' H' ' 24' ' ' PHE . 8.2 p90 -72.52 -9.5 58.63 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.03 -0.668 . . . . 0.0 110.511 -179.488 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' H' H ' 17' ' ' LEU . . . . . 0.569 ' HA ' ' CE1' ' F' ' 5' ' ' HIS . 9.7 tt -73.42 -39.82 64.74 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 177.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 66.9 t -76.08 -43.25 38.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.364 -0.834 . . . . 0.0 109.665 178.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' H' H ' 19' ' ' CYS . . . . . 0.692 ' HB3' ' HB2' ' H' ' 22' ' ' ARG . 71.0 m -66.19 -42.25 89.09 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.441 -0.799 . . . . 0.0 111.475 -179.684 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' H' H ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.93 -96.12 0.76 Allowed Glycine 0 CA--C 1.505 -0.572 0 C-N-CA 120.769 -0.729 . . . . 0.0 111.924 -179.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' H' H ' 21' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -90.31 -14.52 33.03 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-O 121.414 0.626 . . . . 0.0 109.505 179.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' H' H ' 22' ' ' ARG . . . . . 0.692 ' HB2' ' HB3' ' H' ' 19' ' ' CYS . 70.0 mtp180 -81.62 161.42 23.48 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.228 -0.897 . . . . 0.0 110.003 179.504 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' H' H ' 23' ' ' GLY . . . . . 0.66 ' HA2' ' HD2' ' F' ' 28' ' ' PRO . . . -109.75 -170.3 20.2 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.665 -0.779 . . . . 0.0 111.298 178.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' H' H ' 24' ' ' PHE . . . . . 0.937 ' HE2' ' HB3' ' H' ' 16' ' ' TYR . 29.6 p90 -161.02 158.88 28.63 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 117.367 0.583 . . . . 0.0 111.39 179.738 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' H' H ' 25' ' ' PHE . . . . . . . . . . . . . 15.5 m-30 -103.68 109.62 21.39 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 178.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' H' H ' 26' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -109.38 98.72 8.08 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.051 0.453 . . . . 0.0 111.814 -178.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' H' H ' 27' ' ' THR . . . . . 0.613 ' HA ' ' HA3' ' F' ' 23' ' ' GLY . 6.2 m -118.04 99.46 51.94 Favored Pre-proline 0 C--N 1.315 -0.928 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 177.813 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' H' H ' 28' ' ' PRO . . . . . 0.668 ' HD2' ' HA2' ' F' ' 23' ' ' GLY . 29.4 Cg_endo -64.06 -113.62 0.0 OUTLIER 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 123.065 2.51 . . . . 0.0 112.726 -178.241 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' H' H ' 29' ' ' LYS . . . . . 0.495 ' H ' ' HB2' ' H' ' 28' ' ' PRO . 75.4 tttt 71.98 -42.71 0.54 Allowed 'General case' 0 N--CA 1.467 0.375 0 C-N-CA 123.019 0.528 . . . . 0.0 110.761 -179.683 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' H' H ' 30' ' ' THR . . . . . 0.418 ' H ' ' C ' ' H' ' 28' ' ' PRO . 59.8 m . . . . . 0 C--O 1.251 1.179 0 CA-C-O 117.915 -1.04 . . . . 0.0 108.787 178.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' I' I ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.571 0 N-CA-C 111.447 -0.661 . . . . 0.0 111.447 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' I' I ' 2' ' ' ILE . . . . . 0.448 HD11 HG22 ' I' ' 2' ' ' ILE . 13.4 tt -67.35 -32.49 57.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 116.795 0.297 . . . . 0.0 111.8 -178.789 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' I' I ' 3' ' ' VAL . . . . . 0.731 HG12 ' HG3' ' J' ' 4' ' ' GLN . 54.8 t -68.05 -57.49 9.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.64 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' I' I ' 4' ' ' GLU . . . . . 0.444 ' O ' HG22 ' I' ' 8' ' ' THR . 93.0 mt-10 -68.42 -13.72 62.49 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -179.313 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' I' I ' 5' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -89.14 -38.03 14.62 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.944 179.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' I' I ' 6' ' ' CYS . . . . . . . . . . . . . 71.6 m -100.82 -26.65 13.69 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.404 0.89 . . . . 0.0 113.404 -177.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' I' I ' 7' ' ' CYS . . . . . . . . . . . . . 8.5 t -97.17 40.26 1.15 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.465 0.65 . . . . 0.0 111.261 -179.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' I' I ' 8' ' ' THR . . . . . 0.444 HG22 ' O ' ' I' ' 4' ' ' GLU . 0.2 OUTLIER -121.45 -48.68 2.18 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.327 178.312 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' I' I ' 9' ' ' SER . . . . . . . . . . . . . 74.8 m -148.34 15.86 1.02 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.627 178.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' I' I ' 10' ' ' ILE . . . . . 0.502 HD13 HG22 ' B' ' 2' ' ' VAL . 2.1 mp 72.12 132.51 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.828 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' I' I ' 11' ' ' CYS . . . . . . . . . . . . . 38.9 m -81.14 155.15 26.37 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.558 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' I' I ' 12' ' ' SER . . . . . . . . . . . . . 43.7 t -79.6 163.29 24.73 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.49 178.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' I' I ' 13' ' ' LEU . . . . . . . . . . . . . 38.3 tp -56.43 -38.46 71.62 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.137 0.494 . . . . 0.0 110.96 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -75.64 -17.39 60.01 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.838 -0.619 . . . . 0.0 112.058 -179.358 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' I' I ' 15' ' ' GLN . . . . . 0.417 ' HA ' ' ND2' ' I' ' 18' ' ' ASN . 85.2 mt-30 -83.54 -41.08 18.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.89 0.376 . . . . 0.0 110.684 179.198 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' I' I ' 16' ' ' LEU . . . . . 0.591 HD21 HD22 ' J' ' 15' ' ' LEU . 55.6 mt -66.34 -34.07 77.14 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.601 -179.485 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' I' I ' 17' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -66.81 -15.72 63.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.185 -179.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' I' I ' 18' ' ' ASN . . . . . 0.417 ' ND2' ' HA ' ' I' ' 15' ' ' GLN . 83.6 m-20 -70.16 -18.97 63.22 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.838 0.352 . . . . 0.0 110.698 179.278 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' I' I ' 19' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -101.36 -2.59 30.59 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.239 0.543 . . . . 0.0 110.178 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' I' I ' 20' ' ' CYS . . . . . . . . . . . . . 11.3 t -82.77 155.18 24.38 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.112 -179.233 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' I' I ' 21' ' ' ASN . . . . . . . . . . . . . 5.0 m120 . . . . . 0 C--O 1.246 0.879 0 CA-C-O 118.427 -0.797 . . . . 0.0 110.59 179.798 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' J' J ' 1' ' ' PHE . . . . . . . . . . . . . 3.8 p90 . . . . . 0 N--CA 1.483 1.181 0 CA-C-O 121.681 0.753 . . . . 0.0 111.256 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' J' J ' 2' ' ' VAL . . . . . 0.496 HG22 HD13 ' E' ' 10' ' ' ILE . 5.6 p -124.94 88.38 1.27 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 CA-C-O 121.945 0.879 . . . . 0.0 111.069 -179.758 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' J' J ' 3' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -167.09 -57.44 0.03 OUTLIER 'General case' 0 C--O 1.215 -0.728 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.267 -179.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' J' J ' 4' ' ' GLN . . . . . 0.731 ' HG3' HG12 ' I' ' 3' ' ' VAL . 43.7 tt0 -51.89 -36.61 49.33 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.942 0.401 . . . . 0.0 112.009 -179.633 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' J' J ' 5' ' ' HIS . . . . . 0.567 ' CE1' ' HA ' ' L' ' 17' ' ' LEU . 27.4 t60 -84.13 -5.65 59.28 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 -178.034 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' J' J ' 6' ' ' LEU . . . . . . . . . . . . . 13.5 mt -118.56 -42.05 2.78 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.703 0.763 . . . . 0.0 110.356 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' J' J ' 7' ' ' CYS . . . . . 0.411 ' O ' ' HG ' ' J' ' 11' ' ' LEU . 15.6 t -67.95 -40.24 83.27 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.753 -1.112 . . . . 0.0 110.689 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' J' J ' 8' ' ' GLY . . . . . 0.403 ' HA2' ' CD1' ' J' ' 11' ' ' LEU . . . -52.53 -34.71 43.27 Favored Glycine 0 C--N 1.336 0.545 0 CA-C-N 115.946 -0.57 . . . . 0.0 113.001 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' J' J ' 9' ' ' SER . . . . . 0.652 ' HB2' ' HG3' ' L' ' 13' ' ' GLU . 0.0 OUTLIER -58.3 -29.37 65.81 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 122.895 0.478 . . . . 0.0 111.852 179.922 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' J' J ' 10' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -94.41 -21.96 18.6 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.666 -0.414 . . . . 0.0 111.013 -179.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' J' J ' 11' ' ' LEU . . . . . 0.435 ' O ' ' HG ' ' J' ' 15' ' ' LEU . 9.2 mt -70.47 -39.26 74.34 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 177.509 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' J' J ' 12' ' ' VAL . . . . . 0.972 HG22 HG22 ' L' ' 12' ' ' VAL . 14.4 m -73.75 -33.73 38.75 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.12 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.775 179.468 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' J' J ' 13' ' ' GLU . . . . . 0.654 ' HG3' ' HB2' ' L' ' 9' ' ' SER . 33.0 tt0 -61.99 -36.97 83.1 Favored 'General case' 0 C--N 1.34 0.166 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 179.119 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' J' J ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.56 -32.8 58.41 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.705 178.24 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' J' J ' 15' ' ' LEU . . . . . 0.591 HD22 HD21 ' I' ' 16' ' ' LEU . 25.9 mt -58.21 -60.59 3.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.973 -179.717 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' J' J ' 16' ' ' TYR . . . . . 0.92 ' HB3' ' HE2' ' J' ' 24' ' ' PHE . 7.8 p90 -72.48 -9.08 58.11 Favored 'General case' 0 N--CA 1.462 0.149 0 C-N-CA 119.903 -0.719 . . . . 0.0 110.539 -179.522 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' J' J ' 17' ' ' LEU . . . . . 0.544 ' HA ' ' CE1' ' L' ' 5' ' ' HIS . 9.7 tt -73.73 -39.91 63.94 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 177.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 67.6 t -75.71 -43.67 40.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.177 -0.92 . . . . 0.0 109.799 178.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' J' J ' 19' ' ' CYS . . . . . 0.681 ' HB3' ' HB2' ' J' ' 22' ' ' ARG . 71.9 m -66.57 -40.5 89.0 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.911 -179.6 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' J' J ' 20' ' ' GLY . . . . . . . . . . . . . . . 70.96 -97.12 0.63 Allowed Glycine 0 CA--C 1.508 -0.401 0 C-N-CA 120.862 -0.685 . . . . 0.0 111.83 -179.479 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' J' J ' 21' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -89.1 -13.93 37.42 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 121.438 0.637 . . . . 0.0 109.629 179.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' J' J ' 22' ' ' ARG . . . . . 0.681 ' HB2' ' HB3' ' J' ' 19' ' ' CYS . 71.4 mtp180 -82.19 160.73 22.97 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.97 179.4 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' J' J ' 23' ' ' GLY . . . . . 0.657 ' HA2' ' HD2' ' L' ' 28' ' ' PRO . . . -109.01 -170.84 20.81 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.739 -0.743 . . . . 0.0 111.257 179.027 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' J' J ' 24' ' ' PHE . . . . . 0.92 ' HE2' ' HB3' ' J' ' 16' ' ' TYR . 29.3 p90 -160.65 159.54 30.49 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 117.287 0.543 . . . . 0.0 111.118 179.681 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' J' J ' 25' ' ' PHE . . . . . . . . . . . . . 15.3 m-30 -104.09 110.74 23.03 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 178.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' J' J ' 26' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -110.28 98.85 8.0 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.11 0.481 . . . . 0.0 111.721 -178.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' J' J ' 27' ' ' THR . . . . . 0.597 ' HA ' ' HA3' ' L' ' 23' ' ' GLY . 5.6 m -118.31 99.44 51.68 Favored Pre-proline 0 C--N 1.315 -0.918 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 177.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' J' J ' 28' ' ' PRO . . . . . 0.67 ' HD2' ' HA2' ' L' ' 23' ' ' GLY . 30.0 Cg_endo -64.52 -114.14 0.0 OUTLIER 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.938 2.425 . . . . 0.0 112.549 -178.403 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' J' J ' 29' ' ' LYS . . . . . 0.453 ' H ' ' HB2' ' J' ' 28' ' ' PRO . 76.2 tttt 72.14 -42.17 0.53 Allowed 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 122.989 0.516 . . . . 0.0 110.845 -179.549 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' J' J ' 30' ' ' THR . . . . . 0.441 ' H ' ' C ' ' J' ' 28' ' ' PRO . 29.7 m . . . . . 0 C--O 1.251 1.182 0 CA-C-O 117.95 -1.024 . . . . 0.0 108.792 178.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.573 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' K' K ' 2' ' ' ILE . . . . . 0.407 HD11 HG22 ' K' ' 2' ' ' ILE . 14.2 tt -66.74 -32.4 57.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 111.714 0.264 . . . . 0.0 111.714 -179.492 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' K' K ' 3' ' ' VAL . . . . . 0.747 HG12 ' HG3' ' L' ' 4' ' ' GLN . 52.5 t -68.38 -56.65 11.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 C-N-CA 120.999 -0.28 . . . . 0.0 111.634 -179.778 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' K' K ' 4' ' ' GLU . . . . . 0.443 ' O ' HG22 ' K' ' 8' ' ' THR . 93.6 mt-10 -68.99 -12.45 61.69 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -179.323 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' K' K ' 5' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -90.32 -38.66 13.22 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.929 0.395 . . . . 0.0 110.797 179.555 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' K' K ' 6' ' ' CYS . . . . . . . . . . . . . 71.2 m -99.57 -28.46 13.2 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 113.38 0.882 . . . . 0.0 113.38 -178.111 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' K' K ' 7' ' ' CYS . . . . . . . . . . . . . 8.4 t -95.95 40.24 1.12 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.382 0.61 . . . . 0.0 111.395 -179.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' K' K ' 8' ' ' THR . . . . . 0.443 HG22 ' O ' ' K' ' 4' ' ' GLU . 0.3 OUTLIER -121.54 -49.65 2.13 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 178.083 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' K' K ' 9' ' ' SER . . . . . . . . . . . . . 75.1 m -147.61 17.33 1.15 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.734 178.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' K' K ' 10' ' ' ILE . . . . . 0.464 HD13 HG22 ' H' ' 2' ' ' VAL . 2.0 mp 71.08 132.89 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 CA-C-N 115.07 -0.968 . . . . 0.0 111.776 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' K' K ' 11' ' ' CYS . . . . . . . . . . . . . 41.2 m -81.73 154.37 26.06 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.551 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' K' K ' 12' ' ' SER . . . . . . . . . . . . . 34.8 t -79.48 161.98 25.72 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.56 178.505 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' K' K ' 13' ' ' LEU . . . . . . . . . . . . . 42.1 tp -55.41 -37.64 67.88 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.099 0.476 . . . . 0.0 111.135 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -76.74 -16.8 59.39 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.856 -179.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' K' K ' 15' ' ' GLN . . . . . 0.402 ' HA ' ' ND2' ' K' ' 18' ' ' ASN . 83.7 mt-30 -84.25 -41.21 17.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.993 0.425 . . . . 0.0 110.502 179.397 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' K' K ' 16' ' ' LEU . . . . . 0.621 HD21 HD22 ' L' ' 15' ' ' LEU . 59.4 mt -66.16 -34.16 77.42 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.722 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' K' K ' 17' ' ' GLU . . . . . . . . . . . . . 63.0 tt0 -67.39 -15.78 63.87 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.949 -0.3 . . . . 0.0 111.158 -179.305 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' K' K ' 18' ' ' ASN . . . . . 0.402 ' ND2' ' HA ' ' K' ' 15' ' ' GLN . 83.4 m-20 -69.66 -20.09 63.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.812 0.339 . . . . 0.0 110.735 179.016 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' K' K ' 19' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -100.38 -1.13 36.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.033 0.444 . . . . 0.0 110.358 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' K' K ' 20' ' ' CYS . . . . . . . . . . . . . 11.5 t -84.03 156.86 22.03 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.041 -179.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' K' K ' 21' ' ' ASN . . . . . . . . . . . . . 5.3 m120 . . . . . 0 C--O 1.248 0.975 0 CA-C-O 118.726 -0.654 . . . . 0.0 109.871 179.461 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' L' L ' 1' ' ' PHE . . . . . . . . . . . . . 3.2 p90 . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 121.885 0.85 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' L' L ' 2' ' ' VAL . . . . . 0.473 HG22 HD13 ' C' ' 10' ' ' ILE . 6.0 p -121.74 91.05 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.882 0.848 . . . . 0.0 110.806 -179.625 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' L' L ' 3' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -169.35 -58.07 0.02 OUTLIER 'General case' 0 C--O 1.216 -0.681 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.215 -179.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' L' L ' 4' ' ' GLN . . . . . 0.747 ' HG3' HG12 ' K' ' 3' ' ' VAL . 45.3 tt0 -51.48 -37.15 47.52 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.97 0.414 . . . . 0.0 112.083 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' L' L ' 5' ' ' HIS . . . . . 0.544 ' CE1' ' HA ' ' J' ' 17' ' ' LEU . 26.4 t60 -83.66 -5.89 59.3 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 113.214 0.82 . . . . 0.0 113.214 -177.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' L' L ' 6' ' ' LEU . . . . . . . . . . . . . 14.1 mt -119.04 -40.33 2.85 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-O 121.707 0.765 . . . . 0.0 110.33 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' L' L ' 7' ' ' CYS . . . . . 0.406 ' O ' ' HG ' ' L' ' 11' ' ' LEU . 17.1 t -69.37 -40.26 77.54 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.805 -1.089 . . . . 0.0 110.61 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' L' L ' 8' ' ' GLY . . . . . 0.405 ' HA2' ' CD1' ' L' ' 11' ' ' LEU . . . -52.68 -34.27 43.48 Favored Glycine 0 C--N 1.334 0.469 0 CA-C-N 115.923 -0.58 . . . . 0.0 113.049 179.775 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' L' L ' 9' ' ' SER . . . . . 0.654 ' HB2' ' HG3' ' J' ' 13' ' ' GLU . 0.0 OUTLIER -58.64 -29.26 66.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.072 0.463 . . . . 0.0 111.879 -179.936 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' L' L ' 10' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -94.22 -22.6 18.31 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.085 -179.553 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' L' L ' 11' ' ' LEU . . . . . 0.447 ' O ' ' HG ' ' L' ' 15' ' ' LEU . 8.9 mt -70.06 -39.15 75.85 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 107.602 -1.258 . . . . 0.0 107.602 177.598 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' L' L ' 12' ' ' VAL . . . . . 0.972 HG22 HG22 ' J' ' 12' ' ' VAL . 15.1 m -73.48 -34.31 42.24 Favored 'Isoleucine or valine' 0 C--O 1.232 0.184 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.963 179.402 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' L' L ' 13' ' ' GLU . . . . . 0.652 ' HG3' ' HB2' ' J' ' 9' ' ' SER . 33.0 tt0 -61.54 -36.74 81.46 Favored 'General case' 0 C--N 1.34 0.166 0 N-CA-C 108.582 -0.895 . . . . 0.0 108.582 179.278 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' L' L ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.87 -33.39 57.86 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.502 178.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' L' L ' 15' ' ' LEU . . . . . 0.621 HD22 HD21 ' K' ' 16' ' ' LEU . 27.9 mt -57.25 -60.77 3.13 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' L' L ' 16' ' ' TYR . . . . . 0.917 ' HB3' ' HE2' ' L' ' 24' ' ' PHE . 8.2 p90 -72.45 -9.34 58.41 Favored 'General case' 0 C--N 1.333 -0.114 0 C-N-CA 120.078 -0.649 . . . . 0.0 110.627 -179.434 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' L' L ' 17' ' ' LEU . . . . . 0.567 ' HA ' ' CE1' ' J' ' 5' ' ' HIS . 9.8 tt -74.08 -38.39 63.93 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 177.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 73.5 t -77.4 -42.23 30.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.362 -0.836 . . . . 0.0 109.646 178.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' L' L ' 19' ' ' CYS . . . . . 0.699 ' HB3' ' HB2' ' L' ' 22' ' ' ARG . 70.9 m -68.06 -40.2 82.84 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.708 -179.5 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' L' L ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.13 -96.06 0.6 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.009 -179.351 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' L' L ' 21' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -90.12 -14.43 33.69 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-O 121.46 0.648 . . . . 0.0 109.553 179.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' L' L ' 22' ' ' ARG . . . . . 0.699 ' HB2' ' HB3' ' L' ' 19' ' ' CYS . 70.9 mtp180 -81.74 160.62 23.58 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.026 179.35 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' L' L ' 23' ' ' GLY . . . . . 0.67 ' HA2' ' HD2' ' J' ' 28' ' ' PRO . . . -108.75 -169.97 20.95 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.725 -0.75 . . . . 0.0 111.259 179.052 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' L' L ' 24' ' ' PHE . . . . . 0.917 ' HE2' ' HB3' ' L' ' 16' ' ' TYR . 28.8 p90 -161.3 159.27 28.31 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 117.351 0.575 . . . . 0.0 111.005 179.572 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' L' L ' 25' ' ' PHE . . . . . . . . . . . . . 15.6 m-30 -104.27 108.13 19.37 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 179.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' L' L ' 26' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -107.8 99.53 8.99 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.305 0.574 . . . . 0.0 111.93 -178.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' L' L ' 27' ' ' THR . . . . . 0.591 ' HA ' ' HA3' ' J' ' 23' ' ' GLY . 4.7 m -118.6 99.8 51.33 Favored Pre-proline 0 C--N 1.315 -0.908 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 177.705 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' L' L ' 28' ' ' PRO . . . . . 0.657 ' HD2' ' HA2' ' J' ' 23' ' ' GLY . 32.0 Cg_endo -65.33 -114.74 0.0 OUTLIER 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.939 2.426 . . . . 0.0 112.407 -178.178 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' L' L ' 29' ' ' LYS . . . . . 0.474 ' H ' ' HB2' ' L' ' 28' ' ' PRO . 76.7 tttt . . . . . 0 N--CA 1.466 0.358 0 C-N-CA 123.002 0.521 . . . . 0.0 110.784 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.773 0 N-CA-C 111.613 -0.595 . . . . 0.0 111.613 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.444 HG21 ' H ' ' A' ' 3' ' ' VAL . 7.2 tt -59.08 -40.9 81.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.8 0.333 . . . . 0.0 111.531 -179.379 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.446 HG12 ' HB3' ' B' ' 28' ' ' PRO . 40.8 t -62.1 -28.69 44.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.221 -179.68 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -76.14 -73.18 0.28 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.874 0.369 . . . . 0.0 111.225 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -50.76 -46.14 59.29 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 113.215 0.82 . . . . 0.0 113.215 -178.368 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 84.6 m -71.11 -24.92 62.38 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 -178.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.9 t -107.69 18.64 21.16 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.454 -0.498 . . . . 0.0 111.192 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.4 t -120.65 -43.54 2.48 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.35 178.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.459 ' O ' ' HB ' ' A' ' 10' ' ' ILE . 58.1 m -143.87 19.35 1.8 Allowed 'General case' 0 CA--C 1.529 0.173 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 179.247 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.74 HG13 HG13 ' F' ' 2' ' ' VAL . 57.6 mt 72.12 141.6 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 CA-C-O 121.269 0.557 . . . . 0.0 111.98 178.504 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 96.8 m -106.2 149.65 26.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.454 179.174 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 28.8 t -77.4 157.85 30.36 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 178.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.464 ' O ' ' HG3' ' A' ' 17' ' ' GLU . 58.8 tp -52.49 -46.66 66.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.329 -179.744 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -63.61 -33.1 74.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.581 -179.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.529 ' O ' ' HB3' ' A' ' 18' ' ' ASN . 87.8 mt-30 -70.72 -37.02 73.47 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 179.097 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.631 HD23 HD22 ' B' ' 15' ' ' LEU . 87.8 mt -69.34 -39.67 78.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.619 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.464 ' HG3' ' O ' ' A' ' 13' ' ' LEU . 33.6 mt-10 -61.98 -27.07 68.59 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.144 0.497 . . . . 0.0 110.268 179.272 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.529 ' HB3' ' O ' ' A' ' 15' ' ' GLN . 10.9 t30 -61.32 -27.59 68.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.783 179.34 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.413 ' CE1' ' HB ' ' A' ' 2' ' ' ILE . 82.7 m-85 -95.88 -86.32 0.31 Allowed 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 178.788 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 16.0 t 54.4 -114.06 0.84 Allowed 'General case' 0 CA--C 1.532 0.281 0 O-C-N 123.847 0.717 . . . . 0.0 110.681 179.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.636 ' HB2' ' HA ' ' B' ' 24' ' ' PHE . 13.3 t30 . . . . . 0 C--O 1.245 0.827 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 179.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 2.7 p90 . . . . . 0 N--CA 1.48 1.072 0 CA-C-O 121.623 0.725 . . . . 0.0 111.447 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . 0.715 HG13 HG13 ' I' ' 10' ' ' ILE . 16.3 m -130.53 97.51 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.701 0.763 . . . . 0.0 110.352 179.532 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . 0.543 ' O ' ' HB3' ' B' ' 7' ' ' CYS . 42.0 t30 -157.01 -52.81 0.08 Allowed 'General case' 0 C--O 1.217 -0.651 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.05 -179.409 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -58.78 -39.01 79.77 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.257 179.02 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . 0.707 ' HA ' ' HE1' ' D' ' 16' ' ' TYR . 7.9 t60 -77.23 -27.03 53.24 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.452 -179.388 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.729 HD12 ' HB2' ' J' ' 7' ' ' CYS . 36.5 mt -89.23 -60.5 1.93 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.694 0.759 . . . . 0.0 110.552 -179.076 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . 0.734 ' HB2' HD12 ' F' ' 6' ' ' LEU . 0.0 OUTLIER -61.8 -48.03 82.45 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 114.534 -1.212 . . . . 0.0 110.948 179.752 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . 0.713 ' HA2' ' HG ' ' B' ' 11' ' ' LEU . . . -59.41 -30.27 67.8 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 121.169 -0.539 . . . . 0.0 112.612 179.733 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' SER . . . . . 0.941 ' HG ' ' HG3' ' D' ' 13' ' ' GLU . 0.3 OUTLIER -69.39 -10.23 57.05 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.941 0.401 . . . . 0.0 110.749 179.61 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -117.5 -9.15 10.89 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-O 120.766 0.317 . . . . 0.0 111.242 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.713 ' HG ' ' HA2' ' B' ' 8' ' ' GLY . 35.4 mt -69.23 -30.4 68.54 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 107.09 -1.448 . . . . 0.0 107.09 177.059 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.621 ' HB ' ' CZ ' ' B' ' 24' ' ' PHE . 10.7 m -68.19 -32.63 56.72 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 CA-C-N 114.596 -1.183 . . . . 0.0 109.89 177.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.941 ' HG3' ' HG ' ' D' ' 9' ' ' SER . 30.0 tt0 -64.45 -33.81 76.73 Favored 'General case' 0 C--O 1.231 0.101 0 N-CA-C 108.949 -0.759 . . . . 0.0 108.949 179.2 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . 0.638 ' HB3' ' HG ' ' H' ' 17' ' ' LEU . . . -72.5 -48.82 37.47 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.656 177.711 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.631 HD22 HD23 ' A' ' 16' ' ' LEU . 95.9 mt -59.16 -35.77 74.11 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.496 0.665 . . . . 0.0 110.014 178.768 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . 0.714 ' HE1' ' HA ' ' D' ' 5' ' ' HIS . 2.1 t80 -56.56 -40.49 75.26 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.63 -1.168 . . . . 0.0 110.241 179.702 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.637 ' HG ' ' HB3' ' H' ' 14' ' ' ALA . 4.0 mm? -73.67 -43.93 58.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.524 179.219 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 56.9 t -60.55 -47.15 94.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.174 -179.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . 0.483 ' HB3' ' HB3' ' B' ' 22' ' ' ARG . 78.7 m -80.64 -30.62 36.62 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.66 -179.35 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . 0.432 ' HA2' ' HE1' ' D' ' 5' ' ' HIS . . . 73.09 -136.78 23.04 Favored Glycine 0 N--CA 1.447 -0.567 0 N-CA-C 110.329 -1.108 . . . . 0.0 110.329 -178.338 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.406 ' HG3' ' HG1' ' D' ' 30' ' ' THR . 20.6 mm-40 -85.86 57.25 4.37 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.725 0.774 . . . . 0.0 108.961 178.461 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . 0.483 ' HB3' ' HB3' ' B' ' 19' ' ' CYS . 33.4 ttt180 -118.95 -49.33 2.42 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.988 -1.005 . . . . 0.0 110.303 -178.581 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . 0.891 ' HA2' ' HD2' ' D' ' 28' ' ' PRO . . . 111.84 178.36 20.08 Favored Glycine 0 N--CA 1.445 -0.721 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.067 -178.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . 0.636 ' HA ' ' HB2' ' A' ' 21' ' ' ASN . 1.5 p90 -166.04 165.47 17.87 Favored 'General case' 0 C--O 1.24 0.562 0 CA-C-O 121.054 0.454 . . . . 0.0 110.948 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 12.3 p90 -122.67 126.8 48.33 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 177.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.451 ' CD2' ' HD3' ' B' ' 28' ' ' PRO . 24.6 t80 -129.35 122.69 30.02 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.929 -0.308 . . . . 0.0 110.363 -178.37 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' THR . . . . . 0.42 ' HA ' ' HA3' ' D' ' 23' ' ' GLY . 1.1 p -128.08 78.94 74.67 Favored Pre-proline 0 C--N 1.325 -0.457 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 -178.487 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . 0.861 ' HD2' ' HA2' ' D' ' 23' ' ' GLY . 89.0 Cg_endo -81.64 135.88 9.35 Favored 'Trans proline' 0 N--CA 1.461 -0.438 0 C-N-CA 122.539 2.159 . . . . 0.0 110.231 177.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -154.13 125.41 7.4 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 119.863 -0.735 . . . . 0.0 112.344 -178.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' THR . . . . . 0.408 ' HG1' ' HG3' ' D' ' 21' ' ' GLU . 1.4 p . . . . . 0 C--O 1.246 0.876 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 177.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.98 0 N-CA-C 112.161 -0.376 . . . . 0.0 112.161 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' C' C ' 2' ' ' ILE . . . . . 0.451 HG21 ' H ' ' C' ' 3' ' ' VAL . 7.3 tt -58.05 -41.67 81.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.048 0.451 . . . . 0.0 111.643 -179.61 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 3' ' ' VAL . . . . . 0.454 HG12 ' HB3' ' D' ' 28' ' ' PRO . 39.8 t -60.62 -31.07 48.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.273 -179.837 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -74.66 -72.82 0.27 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.389 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 5' ' ' GLN . . . . . 0.419 ' HA ' HG23 ' C' ' 8' ' ' THR . 15.9 pt20 -51.58 -43.04 62.33 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 113.475 0.917 . . . . 0.0 113.475 -178.045 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 82.0 m -74.13 -24.54 59.44 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -178.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 7' ' ' CYS . . . . . . . . . . . . . 9.5 t -107.87 18.71 20.97 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.954 -179.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 8' ' ' THR . . . . . 0.419 HG23 ' HA ' ' C' ' 5' ' ' GLN . 12.3 t -120.3 -43.6 2.51 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.353 178.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 9' ' ' SER . . . . . 0.427 ' O ' ' HB ' ' C' ' 10' ' ' ILE . 63.7 m -144.85 21.13 1.63 Allowed 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 179.162 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . 0.714 HG13 HG13 ' L' ' 2' ' ' VAL . 57.0 mt 70.96 141.7 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 CA-C-O 121.352 0.596 . . . . 0.0 112.409 178.342 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 99.4 m -106.62 149.38 27.26 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.08 0.467 . . . . 0.0 110.476 179.011 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 40.9 t -77.21 157.18 31.01 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.507 178.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 13' ' ' LEU . . . . . 0.462 ' O ' ' HG3' ' C' ' 17' ' ' GLU . 58.1 tp -52.01 -46.75 65.08 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.505 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -64.14 -32.58 74.2 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.64 -179.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . 0.491 ' O ' ' HB3' ' C' ' 18' ' ' ASN . 88.4 mt-30 -70.65 -37.23 73.7 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.11 0.481 . . . . 0.0 109.862 179.145 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 16' ' ' LEU . . . . . 0.629 HD23 HD22 ' D' ' 15' ' ' LEU . 87.9 mt -69.27 -39.41 78.41 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.789 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 17' ' ' GLU . . . . . 0.462 ' HG3' ' O ' ' C' ' 13' ' ' LEU . 40.6 mt-10 -61.78 -28.39 69.42 Favored 'General case' 0 N--CA 1.461 0.095 0 CA-C-O 120.961 0.41 . . . . 0.0 110.337 179.328 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 18' ' ' ASN . . . . . 0.491 ' HB3' ' O ' ' C' ' 15' ' ' GLN . 10.5 t30 -59.97 -28.96 68.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.778 179.699 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 19' ' ' TYR . . . . . 0.427 ' CE1' ' HB ' ' C' ' 2' ' ' ILE . 80.6 m-85 -94.27 -86.15 0.28 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.304 -0.407 . . . . 0.0 109.906 178.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 15.9 t 54.12 -113.33 0.77 Allowed 'General case' 0 CA--C 1.533 0.314 0 O-C-N 123.742 0.651 . . . . 0.0 110.541 179.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 21' ' ' ASN . . . . . 0.652 ' HB2' ' HA ' ' D' ' 24' ' ' PHE . 14.1 t30 . . . . . 0 C--O 1.243 0.739 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 179.14 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 2.8 p90 . . . . . 0 N--CA 1.481 1.093 0 CA-C-O 121.395 0.616 . . . . 0.0 111.523 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' D' D ' 2' ' ' VAL . . . . . 0.701 HG13 HG13 ' G' ' 10' ' ' ILE . 16.1 m -131.23 97.35 2.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.681 0.753 . . . . 0.0 110.35 179.336 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 3' ' ' ASN . . . . . 0.538 ' O ' ' HB3' ' D' ' 7' ' ' CYS . 42.4 t30 -156.77 -52.81 0.08 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.129 -179.688 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -58.4 -38.91 78.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.171 179.007 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 5' ' ' HIS . . . . . 0.714 ' HA ' ' HE1' ' B' ' 16' ' ' TYR . 8.6 t60 -77.4 -27.18 52.32 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.585 -179.282 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 6' ' ' LEU . . . . . 0.752 HD12 ' HB2' ' H' ' 7' ' ' CYS . 33.9 mt -89.36 -59.24 2.27 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.61 0.719 . . . . 0.0 110.631 -179.008 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 7' ' ' CYS . . . . . 0.736 ' HB2' HD12 ' L' ' 6' ' ' LEU . 0.0 OUTLIER -63.22 -47.88 80.66 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 114.685 -1.143 . . . . 0.0 110.784 179.916 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' D' D ' 8' ' ' GLY . . . . . 0.716 ' HA2' ' HG ' ' D' ' 11' ' ' LEU . . . -59.6 -29.75 67.44 Favored Glycine 0 C--N 1.331 0.302 0 C-N-CA 121.063 -0.589 . . . . 0.0 112.627 179.676 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 9' ' ' SER . . . . . 0.941 ' HG ' ' HG3' ' B' ' 13' ' ' GLU . 0.3 OUTLIER -69.57 -9.94 56.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.891 0.377 . . . . 0.0 110.776 179.474 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' D' D ' 10' ' ' HIS . . . . . . . . . . . . . 87.5 m-70 -118.07 -9.11 10.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.738 0.304 . . . . 0.0 111.148 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 11' ' ' LEU . . . . . 0.716 ' HG ' ' HA2' ' D' ' 8' ' ' GLY . 36.3 mt -69.24 -30.26 68.35 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 107.117 -1.438 . . . . 0.0 107.117 177.039 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 12' ' ' VAL . . . . . 0.619 ' HB ' ' CZ ' ' D' ' 24' ' ' PHE . 10.7 m -68.47 -32.47 55.51 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 CA-C-N 114.525 -1.216 . . . . 0.0 109.832 177.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 13' ' ' GLU . . . . . 0.941 ' HG3' ' HG ' ' B' ' 9' ' ' SER . 29.5 tt0 -64.4 -33.89 76.9 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 179.132 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 14' ' ' ALA . . . . . 0.648 ' HB3' ' HG ' ' J' ' 17' ' ' LEU . . . -72.5 -48.84 37.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.696 177.771 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 15' ' ' LEU . . . . . 0.629 HD22 HD23 ' C' ' 16' ' ' LEU . 94.7 mt -59.13 -35.78 74.07 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.429 0.633 . . . . 0.0 109.925 178.689 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 16' ' ' TYR . . . . . 0.707 ' HE1' ' HA ' ' B' ' 5' ' ' HIS . 2.0 t80 -56.28 -40.7 74.69 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.727 -1.124 . . . . 0.0 110.269 179.538 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . 0.641 ' HG ' ' HB3' ' J' ' 14' ' ' ALA . 4.1 mm? -73.71 -43.61 58.75 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.098 0.475 . . . . 0.0 110.645 179.122 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 55.5 t -61.02 -45.54 98.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.351 -179.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 19' ' ' CYS . . . . . 0.453 ' HB3' ' HB3' ' D' ' 22' ' ' ARG . 77.2 m -82.88 -28.66 29.87 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.729 -179.352 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 20' ' ' GLY . . . . . 0.449 ' HA2' ' HE1' ' B' ' 5' ' ' HIS . . . 71.24 -136.3 24.96 Favored Glycine 0 N--CA 1.447 -0.591 0 N-CA-C 110.691 -0.963 . . . . 0.0 110.691 -178.607 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 21' ' ' GLU . . . . . 0.408 ' HG3' ' HG1' ' B' ' 30' ' ' THR . 22.5 mm-40 -86.31 57.54 4.54 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 178.45 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 22' ' ' ARG . . . . . 0.453 ' HB3' ' HB3' ' D' ' 19' ' ' CYS . 30.8 ttt180 -119.39 -49.65 2.36 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.143 -178.648 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 23' ' ' GLY . . . . . 0.861 ' HA2' ' HD2' ' B' ' 28' ' ' PRO . . . 112.17 178.13 19.94 Favored Glycine 0 N--CA 1.444 -0.785 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.141 -179.144 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 24' ' ' PHE . . . . . 0.652 ' HA ' ' HB2' ' C' ' 21' ' ' ASN . 1.5 p90 -165.99 164.99 18.29 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-O 121.168 0.509 . . . . 0.0 110.93 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 25' ' ' PHE . . . . . . . . . . . . . 12.0 p90 -121.95 128.22 51.25 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 177.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 26' ' ' TYR . . . . . 0.471 ' CD2' ' HD3' ' D' ' 28' ' ' PRO . 25.3 t80 -130.75 122.28 26.94 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 -178.247 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 27' ' ' THR . . . . . 0.429 ' HA ' ' HA3' ' B' ' 23' ' ' GLY . 1.7 p -127.42 78.39 74.69 Favored Pre-proline 0 C--N 1.326 -0.425 0 N-CA-C 113.451 0.908 . . . . 0.0 113.451 -178.604 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 28' ' ' PRO . . . . . 0.891 ' HD2' ' HA2' ' B' ' 23' ' ' GLY . 86.3 Cg_endo -81.11 135.58 9.82 Favored 'Trans proline' 0 N--CA 1.461 -0.441 0 C-N-CA 122.428 2.085 . . . . 0.0 110.418 177.755 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -153.43 127.05 8.74 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.122 -0.631 . . . . 0.0 112.458 -178.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 30' ' ' THR . . . . . 0.406 ' HG1' ' HG3' ' B' ' 21' ' ' GLU . 1.2 p . . . . . 0 C--O 1.246 0.91 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.165 178.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.724 0 N-CA-C 111.902 -0.479 . . . . 0.0 111.902 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' E' E ' 2' ' ' ILE . . . . . 0.467 HG21 ' H ' ' E' ' 3' ' ' VAL . 7.4 tt -59.49 -41.55 85.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.959 0.409 . . . . 0.0 111.358 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' E' E ' 3' ' ' VAL . . . . . 0.47 HG12 ' HB3' ' F' ' 28' ' ' PRO . 37.2 t -60.9 -29.66 45.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.057 0.456 . . . . 0.0 111.119 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' E' E ' 4' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -74.94 -73.9 0.22 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.853 0.359 . . . . 0.0 111.071 179.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -51.16 -43.85 61.35 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 -178.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 6' ' ' CYS . . . . . . . . . . . . . 80.1 m -73.58 -24.78 60.12 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 -178.256 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 7' ' ' CYS . . . . . . . . . . . . . 9.1 t -107.38 18.65 21.31 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.463 -0.495 . . . . 0.0 111.161 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 11.8 t -120.46 -43.45 2.5 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.237 178.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 9' ' ' SER . . . . . 0.437 ' O ' ' HB ' ' E' ' 10' ' ' ILE . 47.6 m -145.1 21.65 1.57 Allowed 'General case' 0 C--O 1.233 0.232 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 179.178 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' E' E ' 10' ' ' ILE . . . . . 0.714 HG13 HG13 ' J' ' 2' ' ' VAL . 57.9 mt 70.58 141.2 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 CA-C-O 121.365 0.602 . . . . 0.0 112.407 178.156 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' E' E ' 11' ' ' CYS . . . . . . . . . . . . . 93.5 m -105.37 151.07 24.64 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.382 178.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 12' ' ' SER . . . . . . . . . . . . . 37.0 t -78.93 157.55 28.2 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 178.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 13' ' ' LEU . . . . . 0.452 ' O ' ' HG3' ' E' ' 17' ' ' GLU . 57.9 tp -52.31 -46.77 66.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.876 0.37 . . . . 0.0 111.278 -179.546 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -63.85 -31.98 73.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.775 -179.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 15' ' ' GLN . . . . . 0.512 ' O ' ' HB3' ' E' ' 18' ' ' ASN . 88.7 mt-30 -71.56 -37.25 71.09 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.021 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' E' E ' 16' ' ' LEU . . . . . 0.629 HD21 HD22 ' F' ' 15' ' ' LEU . 87.0 mt -69.0 -40.14 78.89 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.762 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' E' E ' 17' ' ' GLU . . . . . 0.452 ' HG3' ' O ' ' E' ' 13' ' ' LEU . 38.8 mt-10 -61.31 -28.35 69.14 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.036 0.446 . . . . 0.0 110.312 179.273 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' E' E ' 18' ' ' ASN . . . . . 0.512 ' HB3' ' O ' ' E' ' 15' ' ' GLN . 10.8 t30 -59.13 -30.11 67.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.894 179.23 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' E' E ' 19' ' ' TYR . . . . . 0.413 ' CE1' ' HB ' ' E' ' 2' ' ' ILE . 78.2 m-85 -93.57 -87.14 0.25 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.309 -0.405 . . . . 0.0 109.978 178.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' E' E ' 20' ' ' CYS . . . . . . . . . . . . . 17.6 t 54.98 -113.57 0.8 Allowed 'General case' 0 CA--C 1.532 0.275 0 O-C-N 123.706 0.629 . . . . 0.0 110.521 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 21' ' ' ASN . . . . . 0.623 ' HB2' ' HA ' ' F' ' 24' ' ' PHE . 14.9 t30 . . . . . 0 C--O 1.248 0.977 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 179.308 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 1' ' ' PHE . . . . . . . . . . . . . 2.5 p90 . . . . . 0 N--CA 1.481 1.097 0 CA-C-O 121.426 0.631 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' F' F ' 2' ' ' VAL . . . . . 0.74 HG13 HG13 ' A' ' 10' ' ' ILE . 16.1 m -131.04 97.79 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.888 0.852 . . . . 0.0 110.261 179.596 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' F' F ' 3' ' ' ASN . . . . . 0.553 ' O ' ' HB3' ' F' ' 7' ' ' CYS . 43.2 t30 -157.36 -52.55 0.07 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.272 -0.877 . . . . 0.0 109.111 -179.492 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' F' F ' 4' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -58.88 -38.87 79.79 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.856 0.36 . . . . 0.0 111.201 179.076 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 5' ' ' HIS . . . . . 0.711 ' HA ' ' HE1' ' H' ' 16' ' ' TYR . 8.1 t60 -77.26 -27.61 53.24 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.519 -179.252 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' F' F ' 6' ' ' LEU . . . . . 0.734 HD12 ' HB2' ' B' ' 7' ' ' CYS . 35.6 mt -88.75 -59.69 2.16 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.678 0.751 . . . . 0.0 110.631 -179.084 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' F' F ' 7' ' ' CYS . . . . . 0.745 ' HB2' HD12 ' J' ' 6' ' ' LEU . 0.0 OUTLIER -62.63 -48.23 80.3 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 114.561 -1.2 . . . . 0.0 110.956 179.717 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' F' F ' 8' ' ' GLY . . . . . 0.697 ' HA2' ' HG ' ' F' ' 11' ' ' LEU . . . -59.28 -30.03 66.96 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 121.054 -0.593 . . . . 0.0 112.621 179.687 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' F' F ' 9' ' ' SER . . . . . 0.974 ' HG ' ' HG3' ' H' ' 13' ' ' GLU . 0.3 OUTLIER -69.58 -9.64 54.87 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.975 0.416 . . . . 0.0 110.655 179.605 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' F' F ' 10' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -118.24 -8.94 10.54 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 120.754 0.311 . . . . 0.0 111.128 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 11' ' ' LEU . . . . . 0.697 ' HG ' ' HA2' ' F' ' 8' ' ' GLY . 35.7 mt -69.66 -30.27 67.92 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 107.048 -1.464 . . . . 0.0 107.048 177.051 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' F' F ' 12' ' ' VAL . . . . . 0.618 ' HB ' ' CZ ' ' F' ' 24' ' ' PHE . 10.6 m -68.42 -32.39 55.29 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.321 0 CA-C-N 114.667 -1.151 . . . . 0.0 109.756 177.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' F' F ' 13' ' ' GLU . . . . . 0.936 ' HG3' ' HG ' ' H' ' 9' ' ' SER . 29.9 tt0 -64.42 -33.55 76.12 Favored 'General case' 0 C--N 1.334 -0.092 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 179.136 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' F' F ' 14' ' ' ALA . . . . . 0.644 ' HB3' ' HG ' ' L' ' 17' ' ' LEU . . . -72.69 -49.06 33.91 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.594 177.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' F' F ' 15' ' ' LEU . . . . . 0.629 HD22 HD21 ' E' ' 16' ' ' LEU . 93.8 mt -58.99 -35.64 73.56 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.949 178.672 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' F' F ' 16' ' ' TYR . . . . . 0.711 ' HE1' ' HA ' ' H' ' 5' ' ' HIS . 2.0 t80 -56.72 -40.03 74.96 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 114.861 -1.063 . . . . 0.0 110.22 179.645 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' F' F ' 17' ' ' LEU . . . . . 0.634 ' HG ' ' HB3' ' L' ' 14' ' ' ALA . 4.0 mm? -74.36 -43.57 55.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.49 179.203 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 60.7 t -60.29 -47.44 92.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.319 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 19' ' ' CYS . . . . . 0.464 ' HB3' ' HB3' ' F' ' 22' ' ' ARG . 77.1 m -80.66 -30.2 36.57 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.571 -179.268 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' F' F ' 20' ' ' GLY . . . . . 0.462 ' HA2' ' HE1' ' H' ' 5' ' ' HIS . . . 72.99 -135.79 21.87 Favored Glycine 0 N--CA 1.446 -0.692 0 N-CA-C 110.535 -1.026 . . . . 0.0 110.535 -178.582 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' F' F ' 21' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -87.04 57.89 4.75 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 178.285 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 22' ' ' ARG . . . . . 0.464 ' HB3' ' HB3' ' F' ' 19' ' ' CYS . 31.7 ttt180 -119.97 -49.27 2.31 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.124 -178.63 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' F' F ' 23' ' ' GLY . . . . . 0.889 ' HA2' ' HD2' ' H' ' 28' ' ' PRO . . . 111.69 178.33 20.14 Favored Glycine 0 N--CA 1.444 -0.823 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.084 -179.137 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' F' F ' 24' ' ' PHE . . . . . 0.623 ' HA ' ' HB2' ' E' ' 21' ' ' ASN . 1.6 p90 -166.07 165.2 17.99 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-O 121.179 0.514 . . . . 0.0 110.913 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' F' F ' 25' ' ' PHE . . . . . 0.401 ' CE1' ' HA ' ' E' ' 21' ' ' ASN . 11.7 p90 -122.2 127.54 50.12 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 177.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' F' F ' 26' ' ' TYR . . . . . 0.488 ' CD2' ' HD3' ' F' ' 28' ' ' PRO . 24.7 t80 -130.02 122.32 28.18 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 -178.459 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' F' F ' 27' ' ' THR . . . . . 0.424 ' HA ' ' HA3' ' H' ' 23' ' ' GLY . 1.2 p -127.79 78.05 75.52 Favored Pre-proline 0 C--N 1.325 -0.481 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -178.375 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' F' F ' 28' ' ' PRO . . . . . 0.891 ' HD2' ' HA2' ' H' ' 23' ' ' GLY . 88.1 Cg_endo -80.54 136.88 11.25 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.531 2.154 . . . . 0.0 110.373 177.807 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' F' F ' 29' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -154.77 127.97 8.35 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.232 -0.587 . . . . 0.0 112.245 -179.092 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 30' ' ' THR . . . . . 0.409 ' HG1' ' HG3' ' H' ' 21' ' ' GLU . 1.6 p . . . . . 0 C--O 1.243 0.758 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 177.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.678 0 N-CA-C 111.875 -0.49 . . . . 0.0 111.875 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' G' G ' 2' ' ' ILE . . . . . 0.436 HG21 ' H ' ' G' ' 3' ' ' VAL . 7.6 tt -58.58 -41.06 80.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 121.142 0.496 . . . . 0.0 111.792 -179.472 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' G' G ' 3' ' ' VAL . . . . . 0.461 HG12 ' HB3' ' H' ' 28' ' ' PRO . 39.8 t -62.01 -28.31 44.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.238 -179.748 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' G' G ' 4' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -76.3 -73.5 0.27 Allowed 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 120.742 0.306 . . . . 0.0 110.992 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 5' ' ' GLN . . . . . 0.421 ' HA ' HG23 ' G' ' 8' ' ' THR . 16.3 pt20 -50.86 -45.0 59.68 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 113.353 0.871 . . . . 0.0 113.353 -178.232 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' G' G ' 6' ' ' CYS . . . . . . . . . . . . . 83.4 m -72.56 -23.77 61.02 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 -178.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 7' ' ' CYS . . . . . . . . . . . . . 8.9 t -108.19 17.0 22.76 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.068 0.461 . . . . 0.0 110.946 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 8' ' ' THR . . . . . 0.421 HG23 ' HA ' ' G' ' 5' ' ' GLN . 13.8 t -118.75 -43.82 2.66 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.336 178.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' G' G ' 9' ' ' SER . . . . . 0.427 ' O ' ' HB ' ' G' ' 10' ' ' ILE . 71.5 m -144.53 21.39 1.68 Allowed 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 179.523 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' G' G ' 10' ' ' ILE . . . . . 0.701 HG13 HG13 ' D' ' 2' ' ' VAL . 58.2 mt 70.77 140.93 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 CA-C-O 121.346 0.593 . . . . 0.0 112.174 178.309 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' G' G ' 11' ' ' CYS . . . . . . . . . . . . . 93.6 m -105.85 150.63 25.42 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.423 178.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 12' ' ' SER . . . . . . . . . . . . . 39.6 t -78.18 157.53 29.35 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.323 178.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 13' ' ' LEU . . . . . 0.46 ' O ' ' HG3' ' G' ' 17' ' ' GLU . 58.3 tp -52.47 -47.22 66.63 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 122.694 0.398 . . . . 0.0 111.441 -179.665 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -63.69 -33.39 75.54 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.423 -179.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 15' ' ' GLN . . . . . 0.505 ' O ' ' HB3' ' G' ' 18' ' ' ASN . 87.6 mt-30 -70.05 -37.31 75.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.891 0.377 . . . . 0.0 110.051 178.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' G' G ' 16' ' ' LEU . . . . . 0.63 HD21 HD22 ' H' ' 15' ' ' LEU . 86.9 mt -69.04 -39.01 79.44 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.685 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' G' G ' 17' ' ' GLU . . . . . 0.46 ' HG3' ' O ' ' G' ' 13' ' ' LEU . 38.0 mt-10 -62.39 -27.74 69.29 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.349 179.416 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' G' G ' 18' ' ' ASN . . . . . 0.505 ' HB3' ' O ' ' G' ' 15' ' ' GLN . 10.1 t30 -60.21 -29.34 68.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.537 179.461 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' G' G ' 19' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -94.05 -86.54 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.096 178.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 20' ' ' CYS . . . . . . . . . . . . . 16.8 t 54.07 -113.81 0.81 Allowed 'General case' 0 CA--C 1.533 0.312 0 O-C-N 123.599 0.562 . . . . 0.0 110.859 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 21' ' ' ASN . . . . . 0.646 ' HB2' ' HA ' ' H' ' 24' ' ' PHE . 12.7 t30 . . . . . 0 C--O 1.247 0.963 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 179.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' H' H ' 1' ' ' PHE . . . . . . . . . . . . . 2.4 p90 . . . . . 0 N--CA 1.479 1.013 0 CA-C-O 121.527 0.68 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' H' H ' 2' ' ' VAL . . . . . 0.728 HG13 HG13 ' K' ' 10' ' ' ILE . 16.4 m -129.48 97.16 3.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.801 0.81 . . . . 0.0 110.47 179.683 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' H' H ' 3' ' ' ASN . . . . . 0.547 ' O ' ' HB3' ' H' ' 7' ' ' CYS . 42.2 t30 -156.6 -52.82 0.08 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.467 -0.788 . . . . 0.0 108.975 -179.768 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' H' H ' 4' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -58.49 -38.66 78.11 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.895 0.379 . . . . 0.0 111.26 179.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' H' H ' 5' ' ' HIS . . . . . 0.711 ' HA ' ' HE1' ' F' ' 16' ' ' TYR . 7.8 t60 -77.66 -26.78 50.63 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.764 -179.258 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' H' H ' 6' ' ' LEU . . . . . 0.738 HD12 ' HB2' ' L' ' 7' ' ' CYS . 34.6 mt -89.54 -59.36 2.23 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.635 0.731 . . . . 0.0 110.55 -179.162 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' H' H ' 7' ' ' CYS . . . . . 0.752 ' HB2' HD12 ' D' ' 6' ' ' LEU . 0.0 OUTLIER -62.98 -48.04 80.56 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.5 -1.227 . . . . 0.0 110.889 179.889 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' H' H ' 8' ' ' GLY . . . . . 0.726 ' HA2' ' HG ' ' H' ' 11' ' ' LEU . . . -59.7 -29.69 67.62 Favored Glycine 0 C--N 1.331 0.282 0 C-N-CA 121.07 -0.586 . . . . 0.0 112.63 179.716 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' H' H ' 9' ' ' SER . . . . . 0.936 ' HG ' ' HG3' ' F' ' 13' ' ' GLU . 0.3 OUTLIER -69.71 -9.77 55.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.972 0.415 . . . . 0.0 110.556 179.551 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' H' H ' 10' ' ' HIS . . . . . . . . . . . . . 87.2 m-70 -118.04 -9.42 10.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.129 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' H' H ' 11' ' ' LEU . . . . . 0.726 ' HG ' ' HA2' ' H' ' 8' ' ' GLY . 35.2 mt -69.06 -30.05 68.3 Favored 'General case' 0 CA--C 1.519 -0.245 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 177.124 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' H' H ' 12' ' ' VAL . . . . . 0.623 ' HB ' ' CZ ' ' H' ' 24' ' ' PHE . 10.9 m -68.57 -32.53 55.6 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 CA-C-N 114.599 -1.182 . . . . 0.0 109.795 177.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' H' H ' 13' ' ' GLU . . . . . 0.974 ' HG3' ' HG ' ' F' ' 9' ' ' SER . 29.5 tt0 -64.22 -33.92 76.91 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 179.119 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' H' H ' 14' ' ' ALA . . . . . 0.637 ' HB3' ' HG ' ' B' ' 17' ' ' LEU . . . -72.52 -49.0 35.86 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.509 -0.768 . . . . 0.0 109.654 177.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' H' H ' 15' ' ' LEU . . . . . 0.63 HD22 HD21 ' G' ' 16' ' ' LEU . 95.5 mt -58.98 -35.58 73.44 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.41 0.624 . . . . 0.0 110.032 178.759 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' H' H ' 16' ' ' TYR . . . . . 0.711 ' HE1' ' HA ' ' F' ' 5' ' ' HIS . 2.1 t80 -56.85 -40.24 75.73 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.787 -1.097 . . . . 0.0 110.286 179.711 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' H' H ' 17' ' ' LEU . . . . . 0.638 ' HG ' ' HB3' ' B' ' 14' ' ' ALA . 4.0 mm? -74.19 -43.11 58.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.506 179.183 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 58.0 t -61.31 -46.67 96.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.237 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' H' H ' 19' ' ' CYS . . . . . 0.471 ' HB3' ' HB3' ' H' ' 22' ' ' ARG . 76.9 m -80.91 -30.64 35.38 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.614 -179.373 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' H' H ' 20' ' ' GLY . . . . . 0.434 ' HA2' ' HE1' ' F' ' 5' ' ' HIS . . . 73.49 -135.79 21.28 Favored Glycine 0 N--CA 1.447 -0.587 0 N-CA-C 110.598 -1.001 . . . . 0.0 110.598 -178.566 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' H' H ' 21' ' ' GLU . . . . . 0.409 ' HG3' ' HG1' ' F' ' 30' ' ' THR . 21.1 mm-40 -86.96 56.89 4.21 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 178.346 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' H' H ' 22' ' ' ARG . . . . . 0.471 ' HB3' ' HB3' ' H' ' 19' ' ' CYS . 31.9 ttt180 -118.72 -50.59 2.4 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.91 -1.041 . . . . 0.0 110.057 -178.701 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' H' H ' 23' ' ' GLY . . . . . 0.891 ' HA2' ' HD2' ' F' ' 28' ' ' PRO . . . 112.98 179.01 19.54 Favored Glycine 0 N--CA 1.443 -0.853 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.066 -179.216 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' H' H ' 24' ' ' PHE . . . . . 0.646 ' HA ' ' HB2' ' G' ' 21' ' ' ASN . 1.6 p90 -166.11 166.2 17.25 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 121.076 0.465 . . . . 0.0 111.032 179.654 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' H' H ' 25' ' ' PHE . . . . . . . . . . . . . 10.8 p90 -122.99 128.57 50.38 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 177.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' H' H ' 26' ' ' TYR . . . . . 0.455 ' CD2' ' HD3' ' H' ' 28' ' ' PRO . 26.0 t80 -131.43 121.09 23.98 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 121.067 -0.253 . . . . 0.0 110.332 -178.252 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' H' H ' 27' ' ' THR . . . . . 0.433 ' HA ' ' HA3' ' F' ' 23' ' ' GLY . 1.4 p -126.4 79.07 71.14 Favored Pre-proline 0 C--N 1.327 -0.411 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 -178.718 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' H' H ' 28' ' ' PRO . . . . . 0.889 ' HD2' ' HA2' ' F' ' 23' ' ' GLY . 91.1 Cg_endo -81.1 136.17 10.14 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 122.481 2.121 . . . . 0.0 110.179 177.743 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' H' H ' 29' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -154.45 126.27 7.63 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.137 -0.625 . . . . 0.0 112.415 -178.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' H' H ' 30' ' ' THR . . . . . . . . . . . . . 1.4 p . . . . . 0 C--O 1.247 0.924 0 CA-C-N 115.241 -0.89 . . . . 0.0 108.655 177.912 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' I' I ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.826 0 N-CA-C 111.607 -0.597 . . . . 0.0 111.607 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' I' I ' 2' ' ' ILE . . . . . 0.439 HG21 ' H ' ' I' ' 3' ' ' VAL . 6.9 tt -59.27 -41.15 83.16 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 CA-C-O 120.8 0.333 . . . . 0.0 111.673 -179.695 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' I' I ' 3' ' ' VAL . . . . . 0.464 HG12 ' HB3' ' J' ' 28' ' ' PRO . 39.1 t -61.12 -30.18 47.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 120.972 0.415 . . . . 0.0 111.401 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' I' I ' 4' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -74.63 -73.78 0.22 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.24 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' I' I ' 5' ' ' GLN . . . . . 0.414 ' HA ' HG23 ' I' ' 8' ' ' THR . 16.2 pt20 -51.04 -43.4 60.92 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -178.191 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' I' I ' 6' ' ' CYS . . . . . . . . . . . . . 80.5 m -73.98 -23.88 59.53 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 -178.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' I' I ' 7' ' ' CYS . . . . . . . . . . . . . 9.0 t -108.25 18.25 21.29 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.428 -0.509 . . . . 0.0 111.034 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' I' I ' 8' ' ' THR . . . . . 0.414 HG23 ' HA ' ' I' ' 5' ' ' GLN . 14.4 t -119.47 -44.38 2.56 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.416 178.588 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' I' I ' 9' ' ' SER . . . . . 0.421 ' O ' ' HB ' ' I' ' 10' ' ' ILE . 57.7 m -144.31 21.99 1.7 Allowed 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 179.262 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' I' I ' 10' ' ' ILE . . . . . 0.715 HG13 HG13 ' B' ' 2' ' ' VAL . 54.6 mt 70.09 140.5 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 CA-C-O 121.223 0.535 . . . . 0.0 112.395 178.17 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' I' I ' 11' ' ' CYS . . . . . . . . . . . . . 97.6 m -105.14 149.65 25.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.693 178.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' I' I ' 12' ' ' SER . . . . . . . . . . . . . 33.4 t -77.54 157.47 30.34 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.551 -0.536 . . . . 0.0 109.551 179.009 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' I' I ' 13' ' ' LEU . . . . . 0.448 ' O ' ' HG3' ' I' ' 17' ' ' GLU . 58.1 tp -52.13 -47.06 65.55 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 123.33 0.394 . . . . 0.0 111.377 -179.572 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -62.97 -34.41 77.46 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.561 -179.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' I' I ' 15' ' ' GLN . . . . . 0.52 ' O ' ' HB3' ' I' ' 18' ' ' ASN . 87.9 mt-30 -69.08 -38.38 78.96 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 178.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' I' I ' 16' ' ' LEU . . . . . 0.645 HD21 HD22 ' J' ' 15' ' ' LEU . 86.1 mt -68.14 -39.32 82.71 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.991 179.743 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' I' I ' 17' ' ' GLU . . . . . 0.448 ' HG3' ' O ' ' I' ' 13' ' ' LEU . 37.1 mt-10 -62.2 -26.72 68.51 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.083 0.468 . . . . 0.0 110.313 179.367 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' I' I ' 18' ' ' ASN . . . . . 0.52 ' HB3' ' O ' ' I' ' 15' ' ' GLN . 9.6 t30 -61.41 -29.45 69.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.601 179.644 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' I' I ' 19' ' ' TYR . . . . . 0.422 ' CE1' ' HB ' ' I' ' 2' ' ' ILE . 77.9 m-85 -93.87 -86.18 0.27 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.358 -0.383 . . . . 0.0 109.996 179.036 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' I' I ' 20' ' ' CYS . . . . . . . . . . . . . 16.0 t 54.1 -113.54 0.79 Allowed 'General case' 0 CA--C 1.534 0.33 0 O-C-N 123.609 0.568 . . . . 0.0 110.672 179.614 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' I' I ' 21' ' ' ASN . . . . . 0.62 ' HB2' ' HA ' ' J' ' 24' ' ' PHE . 15.6 t30 . . . . . 0 C--O 1.246 0.885 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 179.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' J' J ' 1' ' ' PHE . . . . . . . . . . . . . 2.4 p90 . . . . . 0 N--CA 1.48 1.025 0 CA-C-O 121.36 0.6 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' J' J ' 2' ' ' VAL . . . . . 0.714 HG13 HG13 ' E' ' 10' ' ' ILE . 16.0 m -131.81 97.15 2.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.878 0.847 . . . . 0.0 110.327 179.45 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' J' J ' 3' ' ' ASN . . . . . 0.561 ' O ' ' HB3' ' J' ' 7' ' ' CYS . 41.6 t30 -156.83 -51.95 0.08 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.109 -179.526 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' J' J ' 4' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -59.22 -38.78 80.78 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.137 179.081 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' J' J ' 5' ' ' HIS . . . . . 0.724 ' HA ' ' HE1' ' L' ' 16' ' ' TYR . 8.4 t60 -77.51 -27.48 51.77 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.49 -179.409 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' J' J ' 6' ' ' LEU . . . . . 0.745 HD12 ' HB2' ' F' ' 7' ' ' CYS . 35.2 mt -88.95 -59.15 2.3 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.647 0.736 . . . . 0.0 110.773 -178.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' J' J ' 7' ' ' CYS . . . . . 0.729 ' HB2' HD12 ' B' ' 6' ' ' LEU . 0.0 OUTLIER -63.44 -47.54 81.45 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 114.601 -1.181 . . . . 0.0 110.954 179.718 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' J' J ' 8' ' ' GLY . . . . . 0.707 ' HA2' ' HG ' ' J' ' 11' ' ' LEU . . . -59.46 -30.46 68.3 Favored Glycine 0 C--N 1.33 0.24 0 C-N-CA 121.079 -0.581 . . . . 0.0 112.443 179.576 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' J' J ' 9' ' ' SER . . . . . 0.944 ' HG ' ' HG3' ' L' ' 13' ' ' GLU . 0.3 OUTLIER -69.25 -9.87 55.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.871 0.367 . . . . 0.0 110.757 179.675 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' J' J ' 10' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -117.96 -9.41 10.6 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.149 179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' J' J ' 11' ' ' LEU . . . . . 0.707 ' HG ' ' HA2' ' J' ' 8' ' ' GLY . 34.9 mt -69.18 -29.82 67.88 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 177.046 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' J' J ' 12' ' ' VAL . . . . . 0.622 ' HB ' ' CZ ' ' J' ' 24' ' ' PHE . 11.1 m -68.74 -32.5 55.18 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 CA-C-N 114.701 -1.136 . . . . 0.0 109.774 177.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' J' J ' 13' ' ' GLU . . . . . 0.945 ' HG3' ' HG ' ' L' ' 9' ' ' SER . 29.9 tt0 -64.32 -33.88 76.86 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 179.272 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' J' J ' 14' ' ' ALA . . . . . 0.641 ' HB3' ' HG ' ' D' ' 17' ' ' LEU . . . -72.33 -48.86 38.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.832 177.76 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' J' J ' 15' ' ' LEU . . . . . 0.645 HD22 HD21 ' I' ' 16' ' ' LEU . 93.9 mt -59.16 -35.89 74.32 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.463 0.649 . . . . 0.0 109.905 178.715 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' J' J ' 16' ' ' TYR . . . . . 0.712 ' HE1' ' HA ' ' L' ' 5' ' ' HIS . 2.1 t80 -56.38 -40.27 74.3 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.681 -1.145 . . . . 0.0 110.302 179.623 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' J' J ' 17' ' ' LEU . . . . . 0.648 ' HG ' ' HB3' ' D' ' 14' ' ' ALA . 4.1 mm? -74.36 -43.88 54.69 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.396 179.179 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 57.5 t -59.98 -48.1 89.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.158 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' J' J ' 19' ' ' CYS . . . . . 0.466 ' HB3' ' HB3' ' J' ' 22' ' ' ARG . 79.0 m -79.43 -32.22 42.77 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.772 -179.428 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' J' J ' 20' ' ' GLY . . . . . 0.43 ' HA2' ' HE1' ' L' ' 5' ' ' HIS . . . 74.72 -136.15 20.39 Favored Glycine 0 N--CA 1.448 -0.551 0 N-CA-C 110.372 -1.091 . . . . 0.0 110.372 -178.626 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' J' J ' 21' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -86.93 57.99 4.82 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 178.352 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' J' J ' 22' ' ' ARG . . . . . 0.466 ' HB3' ' HB3' ' J' ' 19' ' ' CYS . 31.9 ttt180 -119.7 -49.13 2.35 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.105 -178.536 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' J' J ' 23' ' ' GLY . . . . . 0.863 ' HA2' ' HD2' ' L' ' 28' ' ' PRO . . . 111.81 178.87 20.06 Favored Glycine 0 N--CA 1.444 -0.776 0 CA-C-N 115.164 -0.925 . . . . 0.0 111.126 -178.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' J' J ' 24' ' ' PHE . . . . . 0.622 ' CZ ' ' HB ' ' J' ' 12' ' ' VAL . 1.5 p90 -166.79 164.86 16.53 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-O 121.127 0.489 . . . . 0.0 110.956 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' J' J ' 25' ' ' PHE . . . . . . . . . . . . . 11.6 p90 -121.99 127.53 50.42 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 177.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' J' J ' 26' ' ' TYR . . . . . 0.481 ' CD2' ' HD3' ' J' ' 28' ' ' PRO . 24.8 t80 -130.3 121.23 25.67 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.489 -178.36 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' J' J ' 27' ' ' THR . . . . . 0.415 ' HA ' ' HA3' ' L' ' 23' ' ' GLY . 1.4 p -126.55 78.34 72.46 Favored Pre-proline 0 CA--C 1.537 0.471 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 -178.474 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' J' J ' 28' ' ' PRO . . . . . 0.878 ' HD2' ' HA2' ' L' ' 23' ' ' GLY . 89.6 Cg_endo -80.91 135.89 10.22 Favored 'Trans proline' 0 N--CA 1.46 -0.452 0 C-N-CA 122.276 1.984 . . . . 0.0 110.28 177.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' J' J ' 29' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -153.6 127.78 9.08 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.294 -0.562 . . . . 0.0 112.263 -178.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' J' J ' 30' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 C--O 1.247 0.962 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 178.145 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.948 0 N-CA-C 112.278 -0.329 . . . . 0.0 112.278 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' K' K ' 2' ' ' ILE . . . . . 0.435 HG21 ' H ' ' K' ' 3' ' ' VAL . 7.0 tt -59.17 -41.34 83.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.108 0.48 . . . . 0.0 111.517 -179.568 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' K' K ' 3' ' ' VAL . . . . . 0.463 HG12 ' HB3' ' L' ' 28' ' ' PRO . 40.3 t -60.92 -30.71 48.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.212 -179.518 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' K' K ' 4' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -74.56 -73.1 0.25 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.536 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' K' K ' 5' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -51.28 -43.48 61.6 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 -178.063 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' K' K ' 6' ' ' CYS . . . . . . . . . . . . . 79.0 m -73.56 -24.82 60.15 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 -178.115 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' K' K ' 7' ' ' CYS . . . . . . . . . . . . . 9.0 t -107.43 18.24 21.79 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.514 -0.474 . . . . 0.0 111.118 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' K' K ' 8' ' ' THR . . . . . . . . . . . . . 14.2 t -119.75 -44.06 2.55 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 120.581 -0.448 . . . . 0.0 110.195 178.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' K' K ' 9' ' ' SER . . . . . 0.44 ' O ' ' HB ' ' K' ' 10' ' ' ILE . 62.3 m -144.17 21.25 1.74 Allowed 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 179.448 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' K' K ' 10' ' ' ILE . . . . . 0.728 HG13 HG13 ' H' ' 2' ' ' VAL . 55.9 mt 70.77 140.62 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 CA-C-O 121.247 0.546 . . . . 0.0 112.294 178.278 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' K' K ' 11' ' ' CYS . . . . . . . . . . . . . 94.9 m -105.31 150.32 25.28 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.643 178.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' K' K ' 12' ' ' SER . . . . . . . . . . . . . 33.3 t -77.68 157.78 29.99 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 178.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' K' K ' 13' ' ' LEU . . . . . 0.442 ' O ' ' HG3' ' K' ' 17' ' ' GLU . 58.2 tp -52.63 -46.77 67.23 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.932 0.396 . . . . 0.0 111.312 -179.811 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -64.15 -31.97 73.37 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.582 -179.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' K' K ' 15' ' ' GLN . . . . . 0.497 ' O ' ' HB3' ' K' ' 18' ' ' ASN . 87.3 mt-30 -71.65 -36.46 70.71 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.943 0.401 . . . . 0.0 110.048 179.054 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' K' K ' 16' ' ' LEU . . . . . 0.648 HD21 HD22 ' L' ' 15' ' ' LEU . 87.8 mt -69.71 -39.4 76.88 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.734 179.811 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' K' K ' 17' ' ' GLU . . . . . 0.442 ' HG3' ' O ' ' K' ' 13' ' ' LEU . 40.9 mt-10 -61.95 -27.59 68.94 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 121.098 0.475 . . . . 0.0 110.415 179.19 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' K' K ' 18' ' ' ASN . . . . . 0.497 ' HB3' ' O ' ' K' ' 15' ' ' GLN . 9.5 t30 -60.36 -28.62 68.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.404 -0.817 . . . . 0.0 110.674 179.546 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' K' K ' 19' ' ' TYR . . . . . 0.427 ' CE1' ' HB ' ' K' ' 2' ' ' ILE . 83.0 m-85 -94.9 -86.39 0.29 Allowed 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 178.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' K' K ' 20' ' ' CYS . . . . . . . . . . . . . 16.2 t 54.32 -113.35 0.78 Allowed 'General case' 0 CA--C 1.533 0.321 0 O-C-N 123.764 0.665 . . . . 0.0 110.496 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' K' K ' 21' ' ' ASN . . . . . 0.616 ' HB2' ' HA ' ' L' ' 24' ' ' PHE . 15.0 t30 . . . . . 0 C--O 1.244 0.801 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 179.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' L' L ' 1' ' ' PHE . . . . . . . . . . . . . 2.2 p90 . . . . . 0 N--CA 1.48 1.065 0 CA-C-O 121.376 0.608 . . . . 0.0 111.248 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' L' L ' 2' ' ' VAL . . . . . 0.714 HG13 HG13 ' C' ' 10' ' ' ILE . 15.8 m -131.22 95.8 2.45 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 CA-C-O 121.775 0.798 . . . . 0.0 110.459 179.529 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' L' L ' 3' ' ' ASN . . . . . 0.553 ' O ' ' HB3' ' L' ' 7' ' ' CYS . 41.9 t30 -155.41 -52.22 0.09 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.088 -179.634 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' L' L ' 4' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -58.88 -38.71 79.46 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.222 179.173 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' L' L ' 5' ' ' HIS . . . . . 0.712 ' HA ' ' HE1' ' J' ' 16' ' ' TYR . 7.8 t60 -77.39 -27.28 52.41 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.589 -179.428 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' L' L ' 6' ' ' LEU . . . . . 0.736 HD12 ' HB2' ' D' ' 7' ' ' CYS . 35.0 mt -89.2 -59.49 2.2 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.762 0.791 . . . . 0.0 110.627 -178.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' L' L ' 7' ' ' CYS . . . . . 0.738 ' HB2' HD12 ' H' ' 6' ' ' LEU . 0.0 OUTLIER -62.92 -48.16 80.12 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 114.533 -1.212 . . . . 0.0 110.874 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' L' L ' 8' ' ' GLY . . . . . 0.71 ' HA2' ' HG ' ' L' ' 11' ' ' LEU . . . -59.33 -30.19 67.38 Favored Glycine 0 C--N 1.331 0.283 0 C-N-CA 120.936 -0.649 . . . . 0.0 112.748 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' L' L ' 9' ' ' SER . . . . . 0.945 ' HG ' ' HG3' ' J' ' 13' ' ' GLU . 0.3 OUTLIER -69.31 -9.86 55.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.977 0.417 . . . . 0.0 110.686 179.584 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' L' L ' 10' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -118.17 -9.1 10.55 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.177 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' L' L ' 11' ' ' LEU . . . . . 0.71 ' HG ' ' HA2' ' L' ' 8' ' ' GLY . 36.3 mt -69.4 -30.16 68.06 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 107.041 -1.466 . . . . 0.0 107.041 177.129 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' L' L ' 12' ' ' VAL . . . . . 0.631 ' HB ' ' CZ ' ' L' ' 24' ' ' PHE . 11.0 m -68.51 -32.58 55.91 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.388 0 CA-C-N 114.484 -1.234 . . . . 0.0 109.815 177.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' L' L ' 13' ' ' GLU . . . . . 0.944 ' HG3' ' HG ' ' J' ' 9' ' ' SER . 30.1 tt0 -64.35 -33.86 76.82 Favored 'General case' 0 C--O 1.232 0.154 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 179.094 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' L' L ' 14' ' ' ALA . . . . . 0.634 ' HB3' ' HG ' ' F' ' 17' ' ' LEU . . . -72.34 -49.23 35.84 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.642 177.8 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' L' L ' 15' ' ' LEU . . . . . 0.648 HD22 HD21 ' K' ' 16' ' ' LEU . 96.4 mt -58.67 -36.26 73.88 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.925 178.718 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' L' L ' 16' ' ' TYR . . . . . 0.724 ' HE1' ' HA ' ' J' ' 5' ' ' HIS . 2.1 t80 -55.98 -41.19 74.39 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.766 -1.107 . . . . 0.0 110.298 179.645 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' L' L ' 17' ' ' LEU . . . . . 0.644 ' HG ' ' HB3' ' F' ' 14' ' ' ALA . 4.0 mm? -73.09 -43.92 61.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.594 179.091 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 55.5 t -60.32 -48.01 89.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.257 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' L' L ' 19' ' ' CYS . . . . . 0.462 ' HB3' ' HB3' ' L' ' 22' ' ' ARG . 77.6 m -79.43 -32.06 42.73 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.712 -179.365 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' L' L ' 20' ' ' GLY . . . . . 0.41 ' HA2' ' HE1' ' J' ' 5' ' ' HIS . . . 74.98 -135.12 18.34 Favored Glycine 0 N--CA 1.45 -0.432 0 N-CA-C 110.62 -0.992 . . . . 0.0 110.62 -178.717 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' L' L ' 21' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -87.7 56.4 3.89 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 178.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' L' L ' 22' ' ' ARG . . . . . 0.462 ' HB3' ' HB3' ' L' ' 19' ' ' CYS . 32.4 ttt180 -118.46 -49.24 2.47 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.995 -1.002 . . . . 0.0 110.234 -178.651 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' L' L ' 23' ' ' GLY . . . . . 0.878 ' HA2' ' HD2' ' J' ' 28' ' ' PRO . . . 112.12 179.18 19.87 Favored Glycine 0 N--CA 1.443 -0.859 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.289 -179.041 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' L' L ' 24' ' ' PHE . . . . . 0.631 ' CZ ' ' HB ' ' L' ' 12' ' ' VAL . 1.6 p90 -167.08 164.64 15.84 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-O 121.012 0.434 . . . . 0.0 111.047 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' L' L ' 25' ' ' PHE . . . . . 0.4 ' CE1' ' HA ' ' K' ' 21' ' ' ASN . 12.8 p90 -121.87 128.82 52.04 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 177.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' L' L ' 26' ' ' TYR . . . . . 0.487 ' CD2' ' HD3' ' L' ' 28' ' ' PRO . 25.3 t80 -131.6 121.31 24.16 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.526 -0.307 . . . . 0.0 110.267 -178.309 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' L' L ' 27' ' ' THR . . . . . 0.411 ' HA ' ' HA3' ' J' ' 23' ' ' GLY . 1.6 p -126.79 78.48 73.28 Favored Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -178.472 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' L' L ' 28' ' ' PRO . . . . . 0.863 ' HD2' ' HA2' ' J' ' 23' ' ' GLY . 83.1 Cg_endo -81.09 135.54 9.82 Favored 'Trans proline' 0 N--CA 1.459 -0.525 0 C-N-CA 122.612 2.208 . . . . 0.0 110.147 177.614 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' L' L ' 29' ' ' LYS . . . . . . . . . . . . . 88.0 tttt . . . . . 0 C--N 1.323 -0.545 0 C-N-CA 120.198 -0.601 . . . . 0.0 112.378 -178.871 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . 0.451 ' HA3' ' O ' ' B' ' 29' ' ' LYS . . . . . . . . 0 N--CA 1.486 1.992 0 N-CA-C 112.739 -0.145 . . . . 0.0 112.739 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.421 HG21 ' H ' ' A' ' 3' ' ' VAL . 5.1 tt -49.82 -43.21 19.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.693 HG22 ' HA ' ' B' ' 28' ' ' PRO . 21.8 t -53.03 -55.17 13.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.704 -179.475 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -62.05 -42.37 99.11 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.689 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -57.14 -42.5 81.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.304 0.574 . . . . 0.0 111.104 179.143 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 10' ' ' ILE . 82.6 m -88.63 2.35 53.33 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.366 -179.229 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 9.9 t -112.82 -20.03 11.77 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.811 0.338 . . . . 0.0 111.257 -179.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.6 t -75.93 -23.18 55.45 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.638 -179.146 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.1 t -163.01 12.69 0.06 Allowed 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.967 -0.293 . . . . 0.0 111.24 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.402 ' HA ' ' O ' ' A' ' 6' ' ' CYS . 2.4 mp 65.14 118.47 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 CA-C-O 121.417 0.627 . . . . 0.0 111.191 -179.736 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.417 ' HB2' HD22 ' A' ' 16' ' ' LEU . 64.2 m -71.59 141.79 50.02 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.672 179.46 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.0 t -80.64 166.38 21.14 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 177.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.6 mp -61.01 -33.34 73.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.119 0.485 . . . . 0.0 110.102 179.449 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -68.33 -18.42 64.49 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.156 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -94.13 -40.16 10.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.925 0.393 . . . . 0.0 110.39 179.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.562 HD23 HD22 ' B' ' 15' ' ' LEU . 83.3 mt -66.08 -31.84 72.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.615 179.759 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.21 -30.32 64.47 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.356 179.573 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -61.41 -23.49 65.85 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.104 179.354 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -109.16 8.78 26.07 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.701 -177.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.9 t -78.61 151.93 32.08 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.762 0.315 . . . . 0.0 110.92 -179.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.351 -0.833 . . . . 0.0 110.674 -179.517 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 53.2 t80 . . . . . 0 N--CA 1.478 0.952 0 N-CA-C 111.64 0.237 . . . . 0.0 111.64 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . 0.49 ' O ' ' HG ' ' B' ' 6' ' ' LEU . 16.9 m -72.87 -39.6 59.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 120.451 -0.5 . . . . 0.0 111.519 -178.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . 0.55 ' O ' ' HB3' ' B' ' 7' ' ' CYS . 30.6 m-20 -72.95 -4.76 34.17 Favored 'General case' 0 C--O 1.219 -0.545 0 CA-C-O 121.337 0.589 . . . . 0.0 109.983 178.75 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . 0.603 ' HG3' HG13 ' A' ' 3' ' ' VAL . 27.9 tt0 -71.57 -17.33 62.31 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 177.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . 0.438 ' HA ' ' HE2' ' D' ' 16' ' ' TYR . 33.8 t60 -113.83 -2.27 13.69 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.989 178.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.735 HD12 ' SG ' ' J' ' 7' ' ' CYS . 7.6 mt -114.08 -40.32 3.73 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.421 0.629 . . . . 0.0 110.017 -179.378 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . 0.746 ' SG ' HD12 ' F' ' 6' ' ' LEU . 0.5 OUTLIER -88.02 -33.33 18.4 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 177.683 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . 0.502 ' HA2' HD13 ' B' ' 11' ' ' LEU . . . -61.81 -26.66 67.3 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.517 -0.765 . . . . 0.0 112.645 178.761 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.89 10.03 3.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.868 0.366 . . . . 0.0 111.693 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 38.8 m-70 -113.56 -39.42 4.07 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.417 0.627 . . . . 0.0 109.319 178.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.502 HD13 ' HA2' ' B' ' 8' ' ' GLY . 0.1 OUTLIER -64.72 -25.24 67.85 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.076 179.177 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . 0.789 HG22 HG22 ' D' ' 12' ' ' VAL . 5.9 m -60.87 -49.33 85.06 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -179.425 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.84 ' HA ' ' HE1' ' B' ' 16' ' ' TYR . 64.4 tt0 -66.35 -33.66 76.22 Favored 'General case' 0 CA--C 1.52 -0.178 0 C-N-CA 120.424 -0.51 . . . . 0.0 110.448 -179.428 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.11 -39.81 78.73 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 179.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.562 HD22 HD23 ' A' ' 16' ' ' LEU . 11.9 mt -57.46 -54.9 41.57 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.965 -0.561 . . . . 0.0 112.236 -179.574 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . 0.913 ' HB2' ' HG3' ' D' ' 28' ' ' PRO . 3.8 p90 -79.64 3.35 19.34 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 119.68 -0.808 . . . . 0.0 111.154 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.563 ' HB2' ' O ' ' B' ' 13' ' ' GLU . 5.3 tt -88.32 -44.6 10.68 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 177.581 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 90.5 t -64.85 -40.63 89.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.732 178.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . 0.804 ' HB3' ' HB2' ' B' ' 22' ' ' ARG . 97.1 m -77.8 -21.52 51.5 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.039 179.607 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 70.24 -100.56 0.8 Allowed Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.235 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -98.21 -0.69 43.67 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.437 0.637 . . . . 0.0 109.767 179.277 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . 0.804 ' HB2' ' HB3' ' B' ' 19' ' ' CYS . 43.5 mtp85 -86.07 151.48 23.66 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.365 178.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . 0.704 ' HA2' ' HD2' ' D' ' 28' ' ' PRO . . . -89.57 -167.39 42.53 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.328 -0.939 . . . . 0.0 112.438 -179.777 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' PHE . . . . . 0.734 ' CE1' ' HB3' ' B' ' 16' ' ' TYR . 18.7 p90 -168.16 170.65 10.07 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-O 121.23 0.538 . . . . 0.0 110.939 179.778 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' PHE . . . . . 0.541 ' HD1' ' HD1' ' D' ' 25' ' ' PHE . 40.1 m-85 -109.92 135.0 51.47 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.185 179.382 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.456 ' CE2' HG11 ' B' ' 12' ' ' VAL . 21.2 t80 -132.77 122.27 24.27 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.464 -179.639 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' THR . . . . . 0.579 HG21 ' HA3' ' D' ' 23' ' ' GLY . 1.7 p -128.83 99.36 22.69 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.5 -179.438 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . 0.906 ' HG3' ' HB2' ' D' ' 16' ' ' TYR . 96.5 Cg_endo -78.9 50.94 3.64 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.995 2.463 . . . . 0.0 112.241 179.537 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.451 ' O ' ' HA3' ' A' ' 1' ' ' GLY . 20.7 ptmt -109.36 157.95 18.39 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.771 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 25.8 m . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.628 -0.701 . . . . 0.0 110.317 -179.878 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' C' C ' 1' ' ' GLY . . . . . 0.438 ' HA3' ' O ' ' D' ' 29' ' ' LYS . . . . . . . . 0 N--CA 1.488 2.107 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 5.0 tt -49.92 -42.54 18.89 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 N-CA-C 112.789 0.663 . . . . 0.0 112.789 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 3' ' ' VAL . . . . . 0.682 HG22 ' HA ' ' D' ' 28' ' ' PRO . 21.8 t -53.46 -55.64 12.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -179.558 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -61.74 -42.02 98.43 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.847 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -57.76 -41.09 81.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.065 179.139 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 80.5 m -89.96 2.01 55.61 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -179.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 7' ' ' CYS . . . . . . . . . . . . . 9.5 t -112.26 -19.48 12.21 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.906 0.384 . . . . 0.0 111.265 -179.552 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 12.4 t -75.53 -25.77 57.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.376 -179.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 27.1 t -160.68 12.1 0.1 Allowed 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 121.013 -0.275 . . . . 0.0 111.447 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 2.4 mp 66.09 117.68 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 CA-C-O 121.645 0.736 . . . . 0.0 111.174 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 11' ' ' CYS . . . . . 0.414 ' HB2' HD22 ' C' ' 16' ' ' LEU . 65.9 m -71.08 141.0 50.85 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.566 179.645 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 34.1 t -80.58 165.87 21.66 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 177.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 9.3 mp -60.39 -31.48 70.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.047 0.451 . . . . 0.0 110.523 179.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -70.89 -17.61 62.7 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.98 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -94.88 -39.03 10.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.902 0.382 . . . . 0.0 110.358 179.112 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 16' ' ' LEU . . . . . 0.572 HD23 HD22 ' D' ' 15' ' ' LEU . 88.5 mt -67.33 -31.17 71.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.087 0.47 . . . . 0.0 110.472 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.86 -30.03 65.47 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.341 179.671 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -61.64 -24.61 66.84 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.949 179.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -107.88 8.62 28.68 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.819 -177.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 8.1 t -79.46 149.59 31.51 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.755 -179.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 . . . . . 0 C--O 1.252 1.187 0 CA-C-O 118.287 -0.863 . . . . 0.0 110.424 -179.794 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 53.0 t80 . . . . . 0 N--CA 1.48 1.038 0 N-CA-C 111.641 0.237 . . . . 0.0 111.641 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' D' D ' 2' ' ' VAL . . . . . 0.511 ' O ' ' HG ' ' D' ' 6' ' ' LEU . 15.1 m -74.14 -39.48 50.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 120.37 -0.532 . . . . 0.0 111.326 -179.122 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 3' ' ' ASN . . . . . 0.551 ' O ' ' HB3' ' D' ' 7' ' ' CYS . 23.9 m-20 -72.41 -4.48 30.42 Favored 'General case' 0 C--O 1.217 -0.632 0 CA-C-O 121.351 0.596 . . . . 0.0 110.064 178.388 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 4' ' ' GLN . . . . . 0.601 ' HG3' HG13 ' C' ' 3' ' ' VAL . 29.6 tt0 -72.41 -17.41 61.8 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 178.103 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 5' ' ' HIS . . . . . 0.439 ' HA ' ' HE2' ' B' ' 16' ' ' TYR . 35.2 t60 -113.72 -2.38 13.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.984 178.787 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 6' ' ' LEU . . . . . 0.74 HD12 ' SG ' ' H' ' 7' ' ' CYS . 7.6 mt -113.89 -39.72 3.91 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.419 0.628 . . . . 0.0 110.015 -179.3 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 7' ' ' CYS . . . . . 0.745 ' SG ' HD12 ' L' ' 6' ' ' LEU . 0.3 OUTLIER -88.95 -33.1 17.35 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 177.924 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' D' D ' 8' ' ' GLY . . . . . 0.498 ' HA2' HD13 ' D' ' 11' ' ' LEU . . . -61.92 -26.42 67.18 Favored Glycine 0 N--CA 1.449 -0.45 0 CA-C-N 115.555 -0.748 . . . . 0.0 112.594 178.612 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.4 10.71 2.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.936 0.398 . . . . 0.0 111.748 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 10' ' ' HIS . . . . . . . . . . . . . 37.4 m-70 -114.16 -39.33 3.92 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 178.164 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 11' ' ' LEU . . . . . 0.498 HD13 ' HA2' ' D' ' 8' ' ' GLY . 0.1 OUTLIER -64.84 -25.56 67.95 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.922 179.286 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' D' D ' 12' ' ' VAL . . . . . 0.789 HG22 HG22 ' B' ' 12' ' ' VAL . 6.2 m -60.54 -49.18 85.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 112.978 0.732 . . . . 0.0 112.978 -179.435 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 13' ' ' GLU . . . . . 0.852 ' HA ' ' HE1' ' D' ' 16' ' ' TYR . 64.2 tt0 -66.58 -33.34 75.46 Favored 'General case' 0 CA--C 1.52 -0.182 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.357 -179.289 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.52 -39.62 77.44 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.763 179.164 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 15' ' ' LEU . . . . . 0.572 HD22 HD23 ' C' ' 16' ' ' LEU . 12.1 mt -57.62 -54.53 45.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.369 -179.645 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 16' ' ' TYR . . . . . 0.906 ' HB2' ' HG3' ' B' ' 28' ' ' PRO . 3.5 p90 -80.28 3.98 19.19 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 119.55 -0.86 . . . . 0.0 111.032 -179.728 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . 0.576 ' HB2' ' O ' ' D' ' 13' ' ' GLU . 5.3 tt -88.92 -44.96 10.06 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 177.666 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 87.9 t -64.79 -39.99 87.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.659 178.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 19' ' ' CYS . . . . . 0.791 ' HB3' ' HB2' ' D' ' 22' ' ' ARG . 93.8 m -78.35 -20.94 50.27 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.031 179.604 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.61 -100.77 0.77 Allowed Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 121.079 -0.581 . . . . 0.0 112.264 179.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -98.33 0.25 45.13 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.386 0.612 . . . . 0.0 109.886 179.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 22' ' ' ARG . . . . . 0.791 ' HB2' ' HB3' ' D' ' 19' ' ' CYS . 42.9 mtp85 -87.01 152.58 22.26 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.24 178.696 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 23' ' ' GLY . . . . . 0.703 ' HA2' ' HD2' ' B' ' 28' ' ' PRO . . . -90.53 -167.87 42.02 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.526 -0.845 . . . . 0.0 112.294 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 24' ' ' PHE . . . . . 0.728 ' CE1' ' HB3' ' D' ' 16' ' ' TYR . 16.8 p90 -167.79 170.67 10.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.273 0.558 . . . . 0.0 110.759 179.749 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 25' ' ' PHE . . . . . 0.541 ' HD1' ' HD1' ' B' ' 25' ' ' PHE . 40.0 m-85 -109.36 136.7 48.36 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.161 -0.927 . . . . 0.0 108.994 179.153 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 26' ' ' TYR . . . . . 0.477 ' CE2' HG11 ' D' ' 12' ' ' VAL . 20.7 t80 -134.61 120.26 19.37 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.624 -179.638 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 27' ' ' THR . . . . . 0.598 HG21 ' HA3' ' B' ' 23' ' ' GLY . 3.0 p -126.76 100.13 28.52 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-O 120.941 0.401 . . . . 0.0 111.755 -179.767 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 28' ' ' PRO . . . . . 0.913 ' HG3' ' HB2' ' B' ' 16' ' ' TYR . 94.2 Cg_endo -78.93 50.71 3.56 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.897 2.398 . . . . 0.0 112.07 179.556 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 29' ' ' LYS . . . . . 0.438 ' O ' ' HA3' ' C' ' 1' ' ' GLY . 20.3 ptmt -109.15 157.11 19.08 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.101 179.751 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 24.8 m . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.562 -0.733 . . . . 0.0 110.142 -179.828 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.182 0 N-CA-C 112.727 -0.149 . . . . 0.0 112.727 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' E' E ' 2' ' ' ILE . . . . . 0.407 HG21 ' H ' ' E' ' 3' ' ' VAL . 4.9 tt -50.38 -42.48 21.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' E' E ' 3' ' ' VAL . . . . . 0.654 HG22 ' HA ' ' F' ' 28' ' ' PRO . 21.8 t -53.54 -54.87 16.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 111.743 0.275 . . . . 0.0 111.743 -179.645 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' E' E ' 4' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -62.35 -42.33 99.31 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.722 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -56.94 -42.7 80.55 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.402 0.62 . . . . 0.0 110.998 179.218 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 6' ' ' CYS . . . . . . . . . . . . . 86.5 m -88.63 2.31 53.41 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.052 -0.522 . . . . 0.0 112.333 -179.016 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 7' ' ' CYS . . . . . . . . . . . . . 9.3 t -112.04 -20.96 11.77 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.86 0.362 . . . . 0.0 111.188 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 8.9 t -74.6 -24.49 58.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.697 -179.137 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 9' ' ' SER . . . . . . . . . . . . . 22.8 t -161.06 10.09 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 121.074 -0.25 . . . . 0.0 111.449 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 10' ' ' ILE . . . . . . . . . . . . . 2.4 mp 67.84 119.11 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 CA-C-O 121.36 0.6 . . . . 0.0 110.893 -179.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 11' ' ' CYS . . . . . 0.403 ' HB2' HD22 ' E' ' 16' ' ' LEU . 61.9 m -72.92 140.33 47.4 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.434 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' E' E ' 12' ' ' SER . . . . . . . . . . . . . 34.7 t -79.58 165.61 22.76 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 177.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 9.5 mp -60.18 -32.63 71.25 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.084 0.469 . . . . 0.0 110.448 179.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -69.61 -16.54 63.41 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.483 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -96.02 -38.78 10.07 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.857 0.361 . . . . 0.0 110.206 179.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 16' ' ' LEU . . . . . 0.587 HD23 HD22 ' F' ' 15' ' ' LEU . 85.8 mt -67.6 -31.17 71.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.466 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' E' E ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.86 -29.43 64.99 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.482 179.608 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' E' E ' 18' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -61.71 -26.51 68.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.896 179.518 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 19' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -106.31 9.24 32.01 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.949 -177.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 20' ' ' CYS . . . . . . . . . . . . . 8.1 t -79.22 151.81 30.99 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.832 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 21' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.301 -0.857 . . . . 0.0 110.517 -179.732 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' F' F ' 1' ' ' PHE . . . . . 0.402 ' O ' ' HB3' ' F' ' 4' ' ' GLN . 51.6 t80 . . . . . 0 N--CA 1.482 1.139 0 N-CA-C 111.607 0.225 . . . . 0.0 111.607 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 2' ' ' VAL . . . . . 0.5 ' O ' ' HG ' ' F' ' 6' ' ' LEU . 17.1 m -72.15 -40.52 66.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 120.664 -0.414 . . . . 0.0 111.438 -179.131 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' F' F ' 3' ' ' ASN . . . . . 0.546 ' O ' ' HB3' ' F' ' 7' ' ' CYS . 24.5 m-20 -71.52 -5.31 32.17 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-O 121.151 0.5 . . . . 0.0 110.026 178.52 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' F' F ' 4' ' ' GLN . . . . . 0.633 ' HG3' HG13 ' E' ' 3' ' ' VAL . 28.4 tt0 -71.6 -17.71 62.26 Favored 'General case' 0 C--N 1.315 -0.911 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 178.138 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' F' F ' 5' ' ' HIS . . . . . 0.433 ' HA ' ' HE2' ' H' ' 16' ' ' TYR . 34.4 t60 -113.31 -2.44 14.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.082 178.759 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' F' F ' 6' ' ' LEU . . . . . 0.746 HD12 ' SG ' ' B' ' 7' ' ' CYS . 7.8 mt -113.89 -41.0 3.63 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.398 0.618 . . . . 0.0 109.962 -179.365 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' F' F ' 7' ' ' CYS . . . . . 0.732 ' SG ' HD12 ' J' ' 6' ' ' LEU . 0.4 OUTLIER -87.21 -33.53 19.3 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.262 -0.881 . . . . 0.0 108.725 177.643 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' F' F ' 8' ' ' GLY . . . . . 0.503 ' HA2' HD13 ' F' ' 11' ' ' LEU . . . -61.95 -26.29 67.07 Favored Glycine 0 N--CA 1.45 -0.421 0 CA-C-N 115.468 -0.787 . . . . 0.0 112.77 178.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' F' F ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.43 10.36 3.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.066 0.46 . . . . 0.0 111.663 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' F' F ' 10' ' ' HIS . . . . . . . . . . . . . 37.7 m-70 -113.74 -39.67 3.96 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 178.091 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 11' ' ' LEU . . . . . 0.503 HD13 ' HA2' ' F' ' 8' ' ' GLY . 0.1 OUTLIER -64.45 -25.44 68.01 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.979 179.257 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' F' F ' 12' ' ' VAL . . . . . 0.787 HG22 HG22 ' H' ' 12' ' ' VAL . 5.7 m -60.69 -49.3 85.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -179.244 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' F' F ' 13' ' ' GLU . . . . . 0.848 ' HA ' ' HE1' ' F' ' 16' ' ' TYR . 65.0 tt0 -66.2 -34.01 77.05 Favored 'General case' 0 CA--C 1.522 -0.117 0 C-N-CA 120.661 -0.415 . . . . 0.0 110.509 -179.453 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' F' F ' 14' ' ' ALA . . . . . 0.402 ' O ' HG22 ' F' ' 18' ' ' VAL . . . -68.82 -39.98 79.73 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.926 179.006 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' F' F ' 15' ' ' LEU . . . . . 0.587 HD22 HD23 ' E' ' 16' ' ' LEU . 12.0 mt -57.41 -54.87 41.88 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.996 -0.547 . . . . 0.0 112.196 -179.664 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' F' F ' 16' ' ' TYR . . . . . 0.913 ' HB2' ' HG3' ' H' ' 28' ' ' PRO . 3.5 p90 -79.76 3.62 18.89 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 119.669 -0.812 . . . . 0.0 111.335 -179.695 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' F' F ' 17' ' ' LEU . . . . . 0.568 ' HB2' ' O ' ' F' ' 13' ' ' GLU . 5.3 tt -88.58 -45.41 9.91 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 107.784 -1.191 . . . . 0.0 107.784 177.483 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . 0.402 HG22 ' O ' ' F' ' 14' ' ' ALA . 93.4 t -64.3 -40.57 89.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.115 -0.948 . . . . 0.0 109.725 178.578 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' F' F ' 19' ' ' CYS . . . . . 0.809 ' HB3' ' HB2' ' F' ' 22' ' ' ARG . 91.8 m -77.95 -20.7 52.26 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.659 -0.701 . . . . 0.0 111.002 179.508 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' F' F ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.15 -102.53 0.94 Allowed Glycine 0 N--CA 1.453 -0.208 0 C-N-CA 120.909 -0.663 . . . . 0.0 111.96 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 21' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -96.25 -0.93 49.08 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.167 0.508 . . . . 0.0 109.987 179.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 22' ' ' ARG . . . . . 0.809 ' HB2' ' HB3' ' F' ' 19' ' ' CYS . 43.5 mtp85 -85.76 152.64 22.88 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.513 178.804 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' F' F ' 23' ' ' GLY . . . . . 0.694 ' HA2' ' HD2' ' H' ' 28' ' ' PRO . . . -90.57 -167.49 41.74 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.336 -0.935 . . . . 0.0 112.394 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' F' F ' 24' ' ' PHE . . . . . 0.725 ' CE1' ' HB3' ' F' ' 16' ' ' TYR . 17.7 p90 -168.07 171.25 9.74 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-O 121.236 0.541 . . . . 0.0 110.917 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' F' F ' 25' ' ' PHE . . . . . 0.549 ' HD1' ' HD1' ' H' ' 25' ' ' PHE . 40.4 m-85 -110.32 135.71 50.63 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.239 -0.891 . . . . 0.0 109.189 179.338 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' F' F ' 26' ' ' TYR . . . . . 0.475 ' CE2' HG11 ' F' ' 12' ' ' VAL . 21.9 t80 -133.1 121.76 23.11 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.52 -179.681 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' F' F ' 27' ' ' THR . . . . . 0.576 HG21 ' HA3' ' H' ' 23' ' ' GLY . 1.6 p -128.32 99.81 23.82 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.497 -179.596 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' F' F ' 28' ' ' PRO . . . . . 0.884 ' HG3' ' HB2' ' H' ' 16' ' ' TYR . 94.0 Cg_endo -79.2 50.34 3.46 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.97 2.447 . . . . 0.0 112.199 179.601 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' F' F ' 29' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -107.91 159.68 16.34 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.907 179.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 30' ' ' THR . . . . . . . . . . . . . 31.8 m . . . . . 0 C--O 1.247 0.969 0 CA-C-O 118.464 -0.779 . . . . 0.0 110.242 -179.863 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' G' G ' 1' ' ' GLY . . . . . 0.453 ' HA3' ' O ' ' H' ' 29' ' ' LYS . . . . . . . . 0 N--CA 1.487 2.098 0 CA-C-O 120.81 0.117 . . . . 0.0 112.914 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 2' ' ' ILE . . . . . . . . . . . . . 4.9 tt -51.47 -42.79 29.53 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 3' ' ' VAL . . . . . 0.693 HG22 ' HA ' ' H' ' 28' ' ' PRO . 22.1 t -53.34 -55.05 14.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 120.695 0.283 . . . . 0.0 111.687 -179.628 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' G' G ' 4' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -62.24 -42.27 99.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.659 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 5' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -57.24 -41.77 80.21 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.403 0.62 . . . . 0.0 111.042 179.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 6' ' ' CYS . . . . . . . . . . . . . 80.1 m -89.52 2.3 54.78 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.993 -0.548 . . . . 0.0 112.244 -178.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 7' ' ' CYS . . . . . . . . . . . . . 9.9 t -112.27 -20.16 11.95 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.875 0.369 . . . . 0.0 110.946 -179.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 8' ' ' THR . . . . . . . . . . . . . 10.3 t -75.88 -22.51 56.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.581 -0.282 . . . . 0.0 111.627 -179.048 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 9' ' ' SER . . . . . . . . . . . . . 18.2 t -163.69 11.6 0.05 Allowed 'General case' 0 C--N 1.328 -0.335 0 O-C-N 122.244 -0.285 . . . . 0.0 111.231 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 10' ' ' ILE . . . . . . . . . . . . . 2.4 mp 66.18 117.82 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 CA-C-O 121.378 0.608 . . . . 0.0 111.234 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 11' ' ' CYS . . . . . 0.421 ' HB2' HD22 ' G' ' 16' ' ' LEU . 65.4 m -71.09 141.78 50.83 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.44 179.519 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' G' G ' 12' ' ' SER . . . . . . . . . . . . . 48.1 t -81.53 165.8 20.84 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 177.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 13' ' ' LEU . . . . . . . . . . . . . 9.3 mp -59.65 -32.55 70.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.103 0.478 . . . . 0.0 110.485 179.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -70.06 -16.58 63.16 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.527 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -96.05 -39.31 9.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.944 0.402 . . . . 0.0 110.193 179.133 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 16' ' ' LEU . . . . . 0.573 HD23 HD22 ' H' ' 15' ' ' LEU . 85.7 mt -66.96 -30.7 70.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.504 179.71 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' G' G ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.18 -30.43 66.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.394 179.663 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' G' G ' 18' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -61.02 -25.04 66.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.672 -0.695 . . . . 0.0 112.025 179.38 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 19' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -107.56 8.68 29.39 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.931 -177.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 20' ' ' CYS . . . . . . . . . . . . . 8.1 t -79.03 150.03 32.02 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.702 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 21' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 . . . . . 0 C--O 1.246 0.896 0 CA-C-O 118.245 -0.883 . . . . 0.0 109.962 179.99 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' H' H ' 1' ' ' PHE . . . . . . . . . . . . . 53.0 t80 . . . . . 0 N--CA 1.479 1.0 0 CA-C-O 120.474 0.178 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' H' H ' 2' ' ' VAL . . . . . 0.502 ' O ' ' HG ' ' H' ' 6' ' ' LEU . 16.5 m -73.37 -39.56 55.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 C-N-CA 120.472 -0.491 . . . . 0.0 111.337 -179.258 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' H' H ' 3' ' ' ASN . . . . . 0.55 ' O ' ' HB3' ' H' ' 7' ' ' CYS . 28.3 m-20 -72.34 -5.43 36.23 Favored 'General case' 0 C--O 1.217 -0.652 0 CA-C-O 121.249 0.547 . . . . 0.0 109.995 178.448 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' H' H ' 4' ' ' GLN . . . . . 0.64 ' HG3' HG13 ' G' ' 3' ' ' VAL . 28.4 tt0 -71.59 -17.98 62.26 Favored 'General case' 0 C--N 1.313 -0.992 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 178.212 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' H' H ' 5' ' ' HIS . . . . . 0.415 ' HA ' ' HE2' ' F' ' 16' ' ' TYR . 36.4 t60 -112.8 -3.01 14.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.049 178.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' H' H ' 6' ' ' LEU . . . . . 0.739 HD12 ' SG ' ' L' ' 7' ' ' CYS . 7.6 mt -113.51 -40.27 3.88 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.519 0.676 . . . . 0.0 109.963 -179.22 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' H' H ' 7' ' ' CYS . . . . . 0.74 ' SG ' HD12 ' D' ' 6' ' ' LEU . 0.4 OUTLIER -87.88 -33.5 18.51 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.218 -0.901 . . . . 0.0 108.587 177.907 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' H' H ' 8' ' ' GLY . . . . . 0.485 ' HA2' HD13 ' H' ' 11' ' ' LEU . . . -61.72 -26.82 67.36 Favored Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 115.284 -0.871 . . . . 0.0 112.74 178.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' H' H ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.97 10.07 3.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.982 0.42 . . . . 0.0 111.684 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' H' H ' 10' ' ' HIS . . . . . . . . . . . . . 36.9 m-70 -113.52 -39.72 4.01 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 178.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' H' H ' 11' ' ' LEU . . . . . 0.485 HD13 ' HA2' ' H' ' 8' ' ' GLY . 0.1 OUTLIER -64.33 -25.69 68.15 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.074 -0.967 . . . . 0.0 110.055 179.27 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' H' H ' 12' ' ' VAL . . . . . 0.787 HG22 HG22 ' F' ' 12' ' ' VAL . 6.1 m -60.49 -49.48 84.19 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -179.472 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' H' H ' 13' ' ' GLU . . . . . 0.847 ' HA ' ' HE1' ' H' ' 16' ' ' TYR . 64.3 tt0 -65.77 -34.44 78.18 Favored 'General case' 0 CA--C 1.522 -0.125 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.387 -179.466 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' H' H ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.63 -39.64 80.67 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.985 179.107 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' H' H ' 15' ' ' LEU . . . . . 0.573 HD22 HD23 ' G' ' 16' ' ' LEU . 12.0 mt -57.7 -54.6 45.09 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.076 -0.511 . . . . 0.0 112.311 -179.55 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' H' H ' 16' ' ' TYR . . . . . 0.884 ' HB2' ' HG3' ' F' ' 28' ' ' PRO . 3.6 p90 -79.98 3.48 19.95 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 119.647 -0.821 . . . . 0.0 111.163 -179.77 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' H' H ' 17' ' ' LEU . . . . . 0.566 ' HB2' ' O ' ' H' ' 13' ' ' GLU . 5.3 tt -88.38 -44.99 10.36 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 177.63 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 84.3 t -64.52 -41.08 91.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 114.99 -1.005 . . . . 0.0 109.613 178.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' H' H ' 19' ' ' CYS . . . . . 0.797 ' HB3' ' HB2' ' H' ' 22' ' ' ARG . 95.4 m -77.09 -22.39 52.85 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.071 179.614 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' H' H ' 20' ' ' GLY . . . . . . . . . . . . . . . 70.99 -101.36 0.94 Allowed Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.122 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' H' H ' 21' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -97.05 -1.84 44.53 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.277 0.56 . . . . 0.0 109.697 179.174 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' H' H ' 22' ' ' ARG . . . . . 0.797 ' HB2' ' HB3' ' H' ' 19' ' ' CYS . 46.2 mtp85 -84.7 152.15 23.94 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.267 -0.878 . . . . 0.0 109.618 178.772 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' H' H ' 23' ' ' GLY . . . . . 0.678 ' HA2' ' HD2' ' F' ' 28' ' ' PRO . . . -90.38 -167.53 41.93 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.512 -0.851 . . . . 0.0 112.312 -179.776 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' H' H ' 24' ' ' PHE . . . . . 0.735 ' CE1' ' HB3' ' H' ' 16' ' ' TYR . 18.3 p90 -168.16 171.21 9.64 Favored 'General case' 0 C--O 1.24 0.571 0 CA-C-O 121.175 0.512 . . . . 0.0 110.826 179.77 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' H' H ' 25' ' ' PHE . . . . . 0.549 ' HD1' ' HD1' ' F' ' 25' ' ' PHE . 40.3 m-85 -110.28 136.38 49.56 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.153 179.319 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' H' H ' 26' ' ' TYR . . . . . 0.48 ' CE2' HG11 ' H' ' 12' ' ' VAL . 19.9 t80 -134.34 120.87 20.43 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.393 -0.523 . . . . 0.0 110.403 -179.44 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' H' H ' 27' ' ' THR . . . . . 0.577 HG21 ' HA3' ' F' ' 23' ' ' GLY . 1.9 p -127.14 99.42 28.35 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.492 -179.57 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' H' H ' 28' ' ' PRO . . . . . 0.913 ' HG3' ' HB2' ' F' ' 16' ' ' TYR . 94.1 Cg_endo -78.95 51.57 3.9 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.82 2.347 . . . . 0.0 111.93 179.547 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' H' H ' 29' ' ' LYS . . . . . 0.453 ' O ' ' HA3' ' G' ' 1' ' ' GLY . 20.5 ptmt -109.65 157.02 19.51 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.84 179.8 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' H' H ' 30' ' ' THR . . . . . . . . . . . . . 25.7 m . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.216 -0.897 . . . . 0.0 109.928 -179.73 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' I' I ' 1' ' ' GLY . . . . . 0.442 ' HA3' ' O ' ' J' ' 29' ' ' LYS . . . . . . . . 0 N--CA 1.488 2.12 0 N-CA-C 112.853 -0.099 . . . . 0.0 112.853 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' I' I ' 2' ' ' ILE . . . . . . . . . . . . . 5.2 tt -50.2 -42.36 20.02 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' I' I ' 3' ' ' VAL . . . . . 0.679 HG22 ' HA ' ' J' ' 28' ' ' PRO . 22.5 t -53.91 -55.25 14.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -179.473 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' I' I ' 4' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -62.15 -41.7 98.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.814 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' I' I ' 5' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -57.54 -42.49 83.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.426 0.631 . . . . 0.0 110.913 179.09 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' I' I ' 6' ' ' CYS . . . . . 0.42 ' O ' ' HA ' ' I' ' 10' ' ' ILE . 82.1 m -88.38 1.35 54.86 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.876 -0.602 . . . . 0.0 112.256 -179.166 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' I' I ' 7' ' ' CYS . . . . . . . . . . . . . 9.7 t -112.42 -17.65 12.64 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.924 0.393 . . . . 0.0 111.356 -179.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' I' I ' 8' ' ' THR . . . . . . . . . . . . . 8.9 t -78.06 -23.4 48.1 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.273 -179.259 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' I' I ' 9' ' ' SER . . . . . . . . . . . . . 22.3 t -162.56 12.45 0.07 Allowed 'General case' 0 C--O 1.233 0.226 0 C-N-CA 121.05 -0.26 . . . . 0.0 111.135 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' I' I ' 10' ' ' ILE . . . . . 0.42 ' HA ' ' O ' ' I' ' 6' ' ' CYS . 2.4 mp 65.46 118.53 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 CA-C-O 121.5 0.667 . . . . 0.0 111.145 -179.622 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' I' I ' 11' ' ' CYS . . . . . 0.426 ' HB2' HD22 ' I' ' 16' ' ' LEU . 63.4 m -72.0 141.07 49.36 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.287 179.727 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' I' I ' 12' ' ' SER . . . . . . . . . . . . . 41.6 t -80.79 165.97 21.4 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 177.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' I' I ' 13' ' ' LEU . . . . . . . . . . . . . 9.4 mp -60.11 -31.16 69.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.145 0.498 . . . . 0.0 110.547 179.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -71.06 -17.92 62.58 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.031 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -94.91 -38.84 10.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.941 0.4 . . . . 0.0 110.335 179.097 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' I' I ' 16' ' ' LEU . . . . . 0.556 HD23 HD22 ' J' ' 15' ' ' LEU . 86.8 mt -67.41 -30.84 70.7 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.106 0.479 . . . . 0.0 110.494 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' I' I ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.23 -30.91 66.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.383 179.646 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' I' I ' 18' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -59.77 -26.17 65.49 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.011 179.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' I' I ' 19' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -106.61 8.51 31.24 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.955 -177.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' I' I ' 20' ' ' CYS . . . . . . . . . . . . . 8.1 t -78.93 150.45 32.09 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.742 -179.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' I' I ' 21' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 . . . . . 0 C--O 1.248 0.984 0 CA-C-O 118.178 -0.915 . . . . 0.0 110.696 -179.719 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' J' J ' 1' ' ' PHE . . . . . . . . . . . . . 53.2 t80 . . . . . 0 N--CA 1.48 1.056 0 CA-C-O 120.542 0.21 . . . . 0.0 111.54 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' J' J ' 2' ' ' VAL . . . . . 0.496 ' O ' ' HG ' ' J' ' 6' ' ' LEU . 16.8 m -73.98 -39.93 51.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 C-N-CA 120.335 -0.546 . . . . 0.0 111.272 -179.194 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' J' J ' 3' ' ' ASN . . . . . 0.55 ' O ' ' HB3' ' J' ' 7' ' ' CYS . 20.8 m-20 -72.22 -5.18 33.98 Favored 'General case' 0 C--O 1.217 -0.631 0 CA-C-O 121.273 0.559 . . . . 0.0 110.108 178.594 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' J' J ' 4' ' ' GLN . . . . . 0.625 ' HG3' HG13 ' I' ' 3' ' ' VAL . 28.5 tt0 -71.59 -17.61 62.28 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 177.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' J' J ' 5' ' ' HIS . . . . . 0.43 ' HA ' ' HE2' ' L' ' 16' ' ' TYR . 36.2 t60 -113.28 -2.7 13.98 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.986 178.813 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' J' J ' 6' ' ' LEU . . . . . 0.732 HD12 ' SG ' ' F' ' 7' ' ' CYS . 7.6 mt -113.84 -40.22 3.82 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.375 0.607 . . . . 0.0 109.986 -179.295 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' J' J ' 7' ' ' CYS . . . . . 0.735 ' SG ' HD12 ' B' ' 6' ' ' LEU . 0.4 OUTLIER -88.31 -33.09 18.13 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 108.563 -0.902 . . . . 0.0 108.563 177.76 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' J' J ' 8' ' ' GLY . . . . . 0.505 ' HA2' HD13 ' J' ' 11' ' ' LEU . . . -62.46 -25.88 67.48 Favored Glycine 0 C--N 1.333 0.396 0 CA-C-N 115.654 -0.703 . . . . 0.0 112.484 178.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' J' J ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.59 10.46 3.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.104 0.478 . . . . 0.0 111.646 179.757 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' J' J ' 10' ' ' HIS . . . . . . . . . . . . . 36.2 m-70 -113.78 -39.53 3.99 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 178.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' J' J ' 11' ' ' LEU . . . . . 0.505 HD13 ' HA2' ' J' ' 8' ' ' GLY . 0.1 OUTLIER -64.44 -25.69 68.12 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.145 179.188 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' J' J ' 12' ' ' VAL . . . . . 0.755 HG22 HG22 ' L' ' 12' ' ' VAL . 6.6 m -60.63 -49.08 85.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 -179.569 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' J' J ' 13' ' ' GLU . . . . . 0.843 ' HA ' ' HE1' ' J' ' 16' ' ' TYR . 63.4 tt0 -66.32 -34.01 77.02 Favored 'General case' 0 CA--C 1.521 -0.154 0 C-N-CA 120.475 -0.49 . . . . 0.0 110.209 -179.474 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' J' J ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.59 -40.41 80.51 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.048 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' J' J ' 15' ' ' LEU . . . . . 0.556 HD22 HD23 ' I' ' 16' ' ' LEU . 11.9 mt -57.18 -54.96 40.8 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.376 -179.55 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' J' J ' 16' ' ' TYR . . . . . 0.93 ' HB2' ' HG3' ' L' ' 28' ' ' PRO . 3.5 p90 -79.57 3.14 19.79 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 119.479 -0.889 . . . . 0.0 111.152 -179.745 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' J' J ' 17' ' ' LEU . . . . . 0.561 ' HB2' ' O ' ' J' ' 13' ' ' GLU . 5.3 tt -87.78 -45.19 10.54 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 177.594 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 89.9 t -64.5 -40.16 88.08 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-N 115.129 -0.941 . . . . 0.0 109.852 178.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' J' J ' 19' ' ' CYS . . . . . 0.806 ' HB3' ' HB2' ' J' ' 22' ' ' ARG . 93.8 m -78.24 -20.63 51.34 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.138 179.555 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' J' J ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.61 -101.52 0.78 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 121.248 -0.501 . . . . 0.0 112.059 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' J' J ' 21' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -97.03 1.05 49.7 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.16 0.505 . . . . 0.0 110.068 179.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' J' J ' 22' ' ' ARG . . . . . 0.806 ' HB2' ' HB3' ' J' ' 19' ' ' CYS . 41.7 mtp85 -88.65 150.4 23.04 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.469 179.081 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' J' J ' 23' ' ' GLY . . . . . 0.703 ' HA2' ' HD2' ' L' ' 28' ' ' PRO . . . -87.78 -168.53 44.57 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.465 -179.66 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' J' J ' 24' ' ' PHE . . . . . 0.741 ' CE1' ' HB3' ' J' ' 16' ' ' TYR . 17.7 p90 -167.78 170.51 10.76 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-O 121.21 0.529 . . . . 0.0 110.875 179.652 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' J' J ' 25' ' ' PHE . . . . . 0.541 ' HD1' ' HD1' ' L' ' 25' ' ' PHE . 39.2 m-85 -109.45 136.1 49.4 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.283 179.318 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' J' J ' 26' ' ' TYR . . . . . 0.469 ' CE2' HG11 ' J' ' 12' ' ' VAL . 21.5 t80 -133.49 121.28 21.95 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.508 -179.509 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' J' J ' 27' ' ' THR . . . . . 0.596 HG21 ' HA3' ' L' ' 23' ' ' GLY . 1.8 p -128.11 99.33 25.2 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.388 -179.63 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' J' J ' 28' ' ' PRO . . . . . 0.914 ' HG3' ' HB2' ' L' ' 16' ' ' TYR . 95.7 Cg_endo -78.6 51.04 3.61 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 123.04 2.493 . . . . 0.0 111.975 179.479 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' J' J ' 29' ' ' LYS . . . . . 0.442 ' O ' ' HA3' ' I' ' 1' ' ' GLY . 20.2 ptmt -109.77 155.94 20.95 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.951 179.775 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' J' J ' 30' ' ' THR . . . . . . . . . . . . . 23.7 m . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.367 -0.825 . . . . 0.0 110.147 -179.788 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' K' K ' 1' ' ' GLY . . . . . 0.426 ' HA3' ' O ' ' L' ' 29' ' ' LYS . . . . . . . . 0 N--CA 1.488 2.125 0 CA-C-O 120.866 0.148 . . . . 0.0 112.734 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' K' K ' 2' ' ' ILE . . . . . . . . . . . . . 5.0 tt -50.59 -42.74 22.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 N-CA-C 112.505 0.558 . . . . 0.0 112.505 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' K' K ' 3' ' ' VAL . . . . . 0.658 HG22 ' HA ' ' L' ' 28' ' ' PRO . 22.0 t -53.5 -55.49 12.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 120.704 0.288 . . . . 0.0 111.613 -179.567 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' K' K ' 4' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -62.21 -41.79 98.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.713 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' K' K ' 5' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -57.5 -42.2 82.25 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.392 0.615 . . . . 0.0 110.918 179.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' K' K ' 6' ' ' CYS . . . . . 0.406 ' O ' ' HA ' ' K' ' 10' ' ' ILE . 82.0 m -89.07 2.28 54.31 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.269 -179.213 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' K' K ' 7' ' ' CYS . . . . . . . . . . . . . 9.8 t -112.66 -18.58 12.32 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.878 0.37 . . . . 0.0 110.964 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' K' K ' 8' ' ' THR . . . . . . . . . . . . . 9.2 t -76.99 -22.7 52.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.626 -179.05 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' K' K ' 9' ' ' SER . . . . . . . . . . . . . 21.4 t -163.42 11.4 0.06 Allowed 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 121.281 -0.168 . . . . 0.0 111.158 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' K' K ' 10' ' ' ILE . . . . . 0.406 ' HA ' ' O ' ' K' ' 6' ' ' CYS . 2.5 mp 66.48 119.18 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 CA-C-O 121.384 0.611 . . . . 0.0 111.085 -179.598 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' K' K ' 11' ' ' CYS . . . . . 0.415 ' HB2' HD22 ' K' ' 16' ' ' LEU . 63.4 m -72.79 141.35 48.06 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.262 179.76 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' K' K ' 12' ' ' SER . . . . . . . . . . . . . 45.3 t -80.86 166.02 21.29 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 177.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' K' K ' 13' ' ' LEU . . . . . . . . . . . . . 9.5 mp -60.27 -32.01 70.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.07 0.462 . . . . 0.0 110.342 179.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -70.17 -17.06 63.16 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.45 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -95.81 -39.32 9.9 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.898 0.38 . . . . 0.0 110.21 179.077 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' K' K ' 16' ' ' LEU . . . . . 0.58 HD23 HD22 ' L' ' 15' ' ' LEU . 87.4 mt -66.82 -31.01 71.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.435 179.624 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' K' K ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.22 -30.23 66.33 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.271 179.669 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' K' K ' 18' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -61.21 -24.84 66.63 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.759 -0.655 . . . . 0.0 112.07 179.411 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' K' K ' 19' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -107.6 8.34 29.13 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.941 -177.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' K' K ' 20' ' ' CYS . . . . . . . . . . . . . 8.1 t -78.79 150.68 32.3 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.893 0.378 . . . . 0.0 110.906 -179.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' K' K ' 21' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.521 -179.65 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' L' L ' 1' ' ' PHE . . . . . 0.41 ' O ' ' HB3' ' L' ' 4' ' ' GLN . 52.5 t80 . . . . . 0 N--CA 1.481 1.121 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' L' L ' 2' ' ' VAL . . . . . 0.492 ' O ' ' HG ' ' L' ' 6' ' ' LEU . 16.5 m -72.65 -39.54 60.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 C-N-CA 120.53 -0.468 . . . . 0.0 111.679 -178.777 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' L' L ' 3' ' ' ASN . . . . . 0.559 ' O ' ' HB3' ' L' ' 7' ' ' CYS . 25.3 m-20 -72.73 -4.7 32.97 Favored 'General case' 0 C--O 1.216 -0.679 0 CA-C-O 121.182 0.515 . . . . 0.0 109.808 178.558 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' L' L ' 4' ' ' GLN . . . . . 0.616 ' HG3' HG13 ' K' ' 3' ' ' VAL . 29.2 tt0 -72.01 -17.83 62.01 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 177.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' L' L ' 5' ' ' HIS . . . . . 0.425 ' HA ' ' HE2' ' J' ' 16' ' ' TYR . 36.3 t60 -112.83 -2.86 14.27 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.995 178.741 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' L' L ' 6' ' ' LEU . . . . . 0.745 HD12 ' SG ' ' D' ' 7' ' ' CYS . 8.0 mt -113.74 -39.77 3.94 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.487 0.661 . . . . 0.0 110.085 -179.146 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' L' L ' 7' ' ' CYS . . . . . 0.739 ' SG ' HD12 ' H' ' 6' ' ' LEU . 0.5 OUTLIER -88.78 -33.63 17.38 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 178.072 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' L' L ' 8' ' ' GLY . . . . . 0.499 ' HA2' HD13 ' L' ' 11' ' ' LEU . . . -61.55 -26.6 66.78 Favored Glycine 0 N--CA 1.449 -0.44 0 CA-C-N 115.585 -0.734 . . . . 0.0 112.699 178.549 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' L' L ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.09 10.32 3.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.981 0.42 . . . . 0.0 111.721 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' L' L ' 10' ' ' HIS . . . . . . . . . . . . . 39.0 m-70 -113.82 -39.45 3.99 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 178.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' L' L ' 11' ' ' LEU . . . . . 0.499 HD13 ' HA2' ' L' ' 8' ' ' GLY . 0.1 OUTLIER -64.72 -25.52 67.97 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.36 -0.837 . . . . 0.0 109.908 179.344 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' L' L ' 12' ' ' VAL . . . . . 0.755 HG22 HG22 ' J' ' 12' ' ' VAL . 5.8 m -60.68 -49.21 85.39 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 -179.382 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' L' L ' 13' ' ' GLU . . . . . 0.843 ' HA ' ' HE1' ' L' ' 16' ' ' TYR . 63.3 tt0 -66.18 -33.72 76.41 Favored 'General case' 0 CA--C 1.521 -0.163 0 C-N-CA 120.56 -0.456 . . . . 0.0 110.375 -179.529 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' L' L ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.1 -40.14 78.58 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.764 179.087 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' L' L ' 15' ' ' LEU . . . . . 0.58 HD22 HD23 ' K' ' 16' ' ' LEU . 12.1 mt -57.16 -55.0 40.41 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.265 -179.673 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' L' L ' 16' ' ' TYR . . . . . 0.914 ' HB2' ' HG3' ' J' ' 28' ' ' PRO . 3.3 p90 -79.65 3.14 20.0 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 119.555 -0.858 . . . . 0.0 111.196 -179.705 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' L' L ' 17' ' ' LEU . . . . . 0.566 ' HB2' ' O ' ' L' ' 13' ' ' GLU . 5.3 tt -88.38 -44.41 10.79 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 107.807 -1.182 . . . . 0.0 107.807 177.696 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 87.3 t -65.29 -39.09 84.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.802 178.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' L' L ' 19' ' ' CYS . . . . . 0.827 ' HB3' ' HB2' ' L' ' 22' ' ' ARG . 92.8 m -79.26 -20.74 47.38 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.063 179.52 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' L' L ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.99 -101.01 0.75 Allowed Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 121.107 -0.568 . . . . 0.0 112.171 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' L' L ' 21' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -97.97 1.43 47.9 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.283 0.563 . . . . 0.0 109.836 179.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' L' L ' 22' ' ' ARG . . . . . 0.827 ' HB2' ' HB3' ' L' ' 19' ' ' CYS . 45.8 mtp85 -88.15 151.01 23.01 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.219 178.747 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' L' L ' 23' ' ' GLY . . . . . 0.723 ' HA2' ' HD2' ' J' ' 28' ' ' PRO . . . -88.96 -168.11 43.63 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.49 -0.862 . . . . 0.0 112.461 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' L' L ' 24' ' ' PHE . . . . . 0.725 ' CE1' ' HB3' ' L' ' 16' ' ' TYR . 17.4 p90 -167.61 171.24 10.41 Favored 'General case' 0 C--O 1.24 0.582 0 CA-C-O 121.272 0.558 . . . . 0.0 110.94 179.643 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' L' L ' 25' ' ' PHE . . . . . 0.541 ' HD1' ' HD1' ' J' ' 25' ' ' PHE . 40.1 m-85 -109.96 136.24 49.55 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.087 179.291 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' L' L ' 26' ' ' TYR . . . . . 0.483 ' CE2' HG11 ' L' ' 12' ' ' VAL . 21.1 t80 -134.05 121.2 21.21 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.493 -179.653 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' L' L ' 27' ' ' THR . . . . . 0.566 HG21 ' HA3' ' J' ' 23' ' ' GLY . 1.9 p -127.58 99.62 26.57 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.406 -179.439 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' L' L ' 28' ' ' PRO . . . . . 0.93 ' HG3' ' HB2' ' J' ' 16' ' ' TYR . 94.3 Cg_endo -78.99 51.42 3.85 Favored 'Trans proline' 0 C--O 1.234 0.282 0 C-N-CA 122.987 2.458 . . . . 0.0 112.025 179.305 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' L' L ' 29' ' ' LYS . . . . . 0.426 ' O ' ' HA3' ' K' ' 1' ' ' GLY . 20.5 ptmt . . . . . 0 C--N 1.32 -0.687 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.827 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.678 0 N-CA-C 111.939 -0.464 . . . . 0.0 111.939 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.7 tt -149.81 -41.98 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 120.805 0.336 . . . . 0.0 111.558 -179.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.604 HG22 ' HA ' ' B' ' 28' ' ' PRO . 3.1 t -82.44 -37.51 14.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -178.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -61.02 -44.0 98.05 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.494 -178.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.504 ' HG3' ' SG ' ' A' ' 11' ' ' CYS . 20.4 pt20 -73.59 -23.9 59.99 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -179.048 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 97.4 m -98.78 -33.4 10.92 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 113.725 1.009 . . . . 0.0 113.725 -177.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.496 ' HA ' HG11 ' F' ' 2' ' ' VAL . 48.9 t -76.3 0.05 20.74 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 -178.685 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.7 t -88.64 -63.91 1.23 Allowed 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.533 -0.467 . . . . 0.0 111.02 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.438 ' O ' ' HB ' ' A' ' 10' ' ' ILE . 26.5 m -141.89 30.27 1.65 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 122.025 -0.422 . . . . 0.0 111.319 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.438 ' HB ' ' O ' ' A' ' 9' ' ' SER . 2.5 mp 71.42 144.57 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 CA-C-O 121.253 0.549 . . . . 0.0 111.384 179.378 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.504 ' SG ' ' HG3' ' A' ' 5' ' ' GLN . 88.6 m -102.27 167.46 9.97 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.107 0.48 . . . . 0.0 111.566 -179.377 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.607 ' HB3' ' HG3' ' A' ' 15' ' ' GLN . 40.0 t -79.9 154.52 28.28 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.62 178.446 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 22.0 tp -54.73 -45.54 74.1 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.524 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -66.32 -25.1 66.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.059 -0.519 . . . . 0.0 112.066 -178.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.607 ' HG3' ' HB3' ' A' ' 12' ' ' SER . 21.9 mt-30 -73.47 -39.67 64.72 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.929 0.395 . . . . 0.0 110.41 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 83.4 mt -68.22 -34.59 76.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.965 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -57.98 -24.69 59.13 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 115.813 -0.63 . . . . 0.0 112.167 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -72.25 -15.27 61.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.851 0.358 . . . . 0.0 111.192 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.503 ' HD1' ' HE1' ' B' ' 25' ' ' PHE . 59.8 m-85 -106.51 -2.95 21.4 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.921 0.391 . . . . 0.0 110.768 -179.288 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 12.3 t -74.89 149.51 39.46 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.108 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 . . . . . 0 C--O 1.252 1.2 0 CA-C-O 118.707 -0.663 . . . . 0.0 110.336 -179.44 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . 0.496 ' O ' HG21 ' B' ' 2' ' ' VAL . 7.4 p90 . . . . . 0 N--CA 1.487 1.398 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . 0.516 HG22 ' HB2' ' B' ' 6' ' ' LEU . 26.2 m 39.63 -138.25 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 124.196 0.998 . . . . 0.0 113.267 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -157.95 -171.56 3.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.772 0.32 . . . . 0.0 110.513 -178.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . 0.556 ' HG3' HG13 ' A' ' 3' ' ' VAL . 30.2 tt0 -50.06 -34.1 20.5 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 124.297 1.039 . . . . 0.0 111.475 178.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . 0.454 ' HE1' ' HA2' ' D' ' 20' ' ' GLY . 55.5 t60 -58.32 -15.67 11.28 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.152 -0.931 . . . . 0.0 113.053 -178.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.632 HD23 ' H4 ' ' I' ' 22' ' ' IPH . 43.2 mt -127.18 -20.29 4.15 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.312 0.577 . . . . 0.0 110.959 179.193 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . 0.417 ' SG ' HG12 ' F' ' 2' ' ' VAL . 1.3 t -76.21 -33.08 59.26 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.475 179.494 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . 0.556 ' HA3' ' OH ' ' B' ' 26' ' ' TYR . . . -70.65 -22.14 77.94 Favored Glycine 0 N--CA 1.447 -0.588 0 CA-C-N 115.783 -0.644 . . . . 0.0 113.825 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' SER . . . . . 0.891 ' HB2' ' HG2' ' D' ' 13' ' ' GLU . 18.2 p -66.0 -15.72 63.27 Favored 'General case' 0 C--O 1.225 -0.234 0 CA-C-N 117.274 0.537 . . . . 0.0 110.763 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -106.59 -20.59 13.32 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.609 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.707 HD21 ' H5 ' ' A' ' 22' ' ' IPH . 73.4 mt -68.26 -37.32 80.62 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.299 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 1.07 HG22 HG22 ' D' ' 12' ' ' VAL . 4.9 m -67.33 -33.83 65.14 Favored 'Isoleucine or valine' 0 C--O 1.232 0.139 0 CA-C-N 115.085 -0.961 . . . . 0.0 111.647 179.466 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.881 ' HG2' ' HB2' ' D' ' 9' ' ' SER . 43.2 mt-10 -56.24 -41.86 76.41 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 121.136 0.493 . . . . 0.0 110.374 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . 0.671 ' HB3' HD23 ' H' ' 17' ' ' LEU . . . -81.42 -33.76 31.96 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.516 178.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.594 ' HB2' ' HA ' ' B' ' 12' ' ' VAL . 3.0 mt -55.26 -55.04 35.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.419 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . 0.749 ' HB3' ' CE1' ' B' ' 24' ' ' PHE . 6.7 p90 -76.57 -14.82 59.98 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 119.643 -0.823 . . . . 0.0 111.351 -179.324 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.661 HD23 ' HB3' ' H' ' 14' ' ' ALA . 33.2 tp -69.43 -34.29 74.22 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 177.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 96.1 t -68.13 -46.39 81.47 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.371 178.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . 0.685 ' HB3' ' HB2' ' B' ' 22' ' ' ARG . 85.5 m -66.69 -43.0 85.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.082 179.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . 0.45 ' HA2' ' HE1' ' D' ' 5' ' ' HIS . . . 68.14 -87.18 0.18 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 121.423 -0.418 . . . . 0.0 112.895 179.552 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -88.69 -6.6 57.35 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.97 0.414 . . . . 0.0 110.449 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . 0.685 ' HB2' ' HB3' ' B' ' 19' ' ' CYS . 19.9 mtt85 -104.08 172.69 6.66 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.094 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . 0.787 ' HA2' ' HD2' ' D' ' 28' ' ' PRO . . . -112.89 -159.91 14.2 Favored Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 178.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . 0.749 ' CE1' ' HB3' ' B' ' 16' ' ' TYR . 8.4 p90 -173.44 158.44 3.48 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.025 0.441 . . . . 0.0 110.514 179.435 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . 0.503 ' HE1' ' HD1' ' A' ' 19' ' ' TYR . 4.1 p90 -104.44 124.45 49.26 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 178.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.556 ' OH ' ' HA3' ' B' ' 8' ' ' GLY . 78.6 t80 -116.21 123.64 48.27 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.0 -178.586 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 6.7 p -126.51 97.33 34.0 Favored Pre-proline 0 C--N 1.317 -0.841 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.787 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . 0.783 ' HD2' ' HA2' ' D' ' 23' ' ' GLY . 59.9 Cg_endo -73.38 52.65 2.42 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 122.931 2.421 . . . . 0.0 111.331 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 30.1 tttt -117.79 -33.11 4.61 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 114.697 -1.138 . . . . 0.0 109.166 -179.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 7.0 m . . . . . 0 C--O 1.246 0.917 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 179.53 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.729 0 N-CA-C 111.939 -0.464 . . . . 0.0 111.939 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 4.7 tt -150.76 -41.55 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 120.637 0.256 . . . . 0.0 111.433 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 3' ' ' VAL . . . . . 0.628 HG22 ' HA ' ' D' ' 28' ' ' PRO . 3.2 t -82.59 -38.47 15.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 111.815 0.302 . . . . 0.0 111.815 -178.625 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -60.69 -44.42 96.57 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.386 -178.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 5' ' ' GLN . . . . . 0.49 ' HG3' ' SG ' ' C' ' 11' ' ' CYS . 19.3 pt20 -73.03 -21.77 60.75 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -178.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 92.7 m -101.23 -33.12 10.2 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 113.488 0.921 . . . . 0.0 113.488 -177.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 7' ' ' CYS . . . . . 0.493 ' HA ' HG11 ' L' ' 2' ' ' VAL . 48.6 t -76.3 0.42 19.41 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 111.825 0.306 . . . . 0.0 111.825 -178.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 1.4 t -88.9 -64.58 1.12 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 121.853 -0.529 . . . . 0.0 110.953 179.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 9' ' ' SER . . . . . 0.451 ' O ' ' HB ' ' C' ' 10' ' ' ILE . 17.9 m -140.69 28.45 1.97 Allowed 'General case' 0 C--N 1.328 -0.341 0 O-C-N 122.038 -0.413 . . . . 0.0 111.681 -179.197 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . 0.451 ' HB ' ' O ' ' C' ' 9' ' ' SER . 2.5 mp 72.39 143.5 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 CA-C-O 121.101 0.476 . . . . 0.0 111.321 179.592 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 11' ' ' CYS . . . . . 0.49 ' SG ' ' HG3' ' C' ' 5' ' ' GLN . 86.4 m -101.04 167.88 9.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.001 0.429 . . . . 0.0 111.631 -179.382 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 12' ' ' SER . . . . . 0.665 ' HB3' ' HG3' ' C' ' 15' ' ' GLN . 36.8 t -79.2 156.83 28.01 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.647 178.232 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 21.8 tp -57.36 -45.57 84.24 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.263 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -65.42 -26.33 67.92 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.91 -0.586 . . . . 0.0 112.207 -179.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . 0.665 ' HG3' ' HB3' ' C' ' 12' ' ' SER . 20.8 mt-30 -72.54 -41.01 66.27 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.774 0.321 . . . . 0.0 110.451 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 79.4 mt -67.01 -34.74 78.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.834 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -57.07 -25.57 58.92 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.669 -0.696 . . . . 0.0 112.4 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -71.61 -14.83 62.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.802 0.334 . . . . 0.0 111.432 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 19' ' ' TYR . . . . . 0.512 ' HD1' ' HE1' ' D' ' 25' ' ' PHE . 58.8 m-85 -106.91 -3.92 19.7 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.623 -179.153 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 11.6 t -73.85 149.55 41.5 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.26 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.666 -0.683 . . . . 0.0 110.857 -179.13 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 1' ' ' PHE . . . . . 0.484 ' O ' HG21 ' D' ' 2' ' ' VAL . 6.7 p90 . . . . . 0 N--CA 1.485 1.3 0 N-CA-C 111.738 0.273 . . . . 0.0 111.738 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 2' ' ' VAL . . . . . 0.505 HG22 ' HB2' ' D' ' 6' ' ' LEU . 24.1 m 39.54 -136.76 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 124.365 1.066 . . . . 0.0 113.437 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 3' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -158.98 -172.81 3.95 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 120.708 0.29 . . . . 0.0 110.42 -178.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 4' ' ' GLN . . . . . 0.564 ' HG3' HG13 ' C' ' 3' ' ' VAL . 30.7 tt0 -49.68 -33.93 17.1 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 124.28 1.032 . . . . 0.0 111.387 178.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 5' ' ' HIS . . . . . 0.45 ' HE1' ' HA2' ' B' ' 20' ' ' GLY . 55.6 t60 -58.47 -15.3 10.42 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 115.348 -0.842 . . . . 0.0 113.043 -178.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 6' ' ' LEU . . . . . 0.616 HD23 ' H4 ' ' G' ' 22' ' ' IPH . 37.5 mt -126.99 -21.24 4.02 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.306 0.574 . . . . 0.0 110.761 179.26 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 7' ' ' CYS . . . . . 0.409 ' SG ' HG12 ' L' ' 2' ' ' VAL . 1.1 t -75.47 -33.06 60.8 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.703 179.516 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 8' ' ' GLY . . . . . 0.558 ' HA3' ' OH ' ' D' ' 26' ' ' TYR . . . -70.42 -22.28 77.67 Favored Glycine 0 N--CA 1.446 -0.651 0 CA-C-N 115.717 -0.674 . . . . 0.0 113.703 -179.648 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 9' ' ' SER . . . . . 0.881 ' HB2' ' HG2' ' B' ' 13' ' ' GLU . 19.6 p -66.18 -15.6 63.28 Favored 'General case' 0 C--O 1.225 -0.195 0 CA-C-N 117.244 0.522 . . . . 0.0 110.721 -179.551 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 10' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -106.69 -20.63 13.29 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.612 -179.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 11' ' ' LEU . . . . . 0.695 HD21 ' H5 ' ' C' ' 22' ' ' IPH . 73.9 mt -68.23 -37.13 80.51 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 177.267 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . 1.07 HG22 HG22 ' B' ' 12' ' ' VAL . 4.6 m -67.41 -33.74 64.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.076 -0.965 . . . . 0.0 111.744 179.554 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 13' ' ' GLU . . . . . 0.891 ' HG2' ' HB2' ' B' ' 9' ' ' SER . 43.9 mt-10 -56.52 -41.89 77.48 Favored 'General case' 0 N--CA 1.461 0.102 0 CA-C-O 121.183 0.516 . . . . 0.0 110.35 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 14' ' ' ALA . . . . . 0.684 ' HB3' HD23 ' J' ' 17' ' ' LEU . . . -81.48 -33.26 32.08 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.583 178.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 15' ' ' LEU . . . . . 0.597 ' HB2' ' HA ' ' D' ' 12' ' ' VAL . 3.0 mt -55.81 -54.75 40.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.432 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 16' ' ' TYR . . . . . 0.734 ' HB3' ' CE1' ' D' ' 24' ' ' PHE . 6.5 p90 -76.72 -14.42 59.95 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 119.617 -0.833 . . . . 0.0 111.257 -179.202 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . 0.663 HD23 ' HB3' ' J' ' 14' ' ' ALA . 33.6 tp -70.02 -34.36 73.17 Favored 'General case' 0 C--O 1.232 0.179 0 N-CA-C 108.134 -1.061 . . . . 0.0 108.134 178.043 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 96.4 t -68.32 -44.02 84.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 114.876 -1.056 . . . . 0.0 109.636 178.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 19' ' ' CYS . . . . . 0.716 ' HB3' ' HB2' ' D' ' 22' ' ' ARG . 89.9 m -69.52 -42.38 74.77 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.936 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 20' ' ' GLY . . . . . 0.454 ' HA2' ' HE1' ' B' ' 5' ' ' HIS . . . 68.38 -86.56 0.19 Allowed Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 121.347 -0.454 . . . . 0.0 112.841 179.541 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -90.03 -4.76 57.22 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.999 0.428 . . . . 0.0 110.705 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 22' ' ' ARG . . . . . 0.716 ' HB2' ' HB3' ' D' ' 19' ' ' CYS . 20.4 mtt85 -105.91 172.71 6.66 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.792 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 23' ' ' GLY . . . . . 0.783 ' HA2' ' HD2' ' B' ' 28' ' ' PRO . . . -113.23 -159.35 13.61 Favored Glycine 0 N--CA 1.447 -0.608 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 178.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 24' ' ' PHE . . . . . 0.734 ' CE1' ' HB3' ' D' ' 16' ' ' TYR . 8.7 p90 -173.62 158.79 3.44 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 117.076 0.438 . . . . 0.0 110.321 179.593 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 25' ' ' PHE . . . . . 0.512 ' HE1' ' HD1' ' C' ' 19' ' ' TYR . 3.9 p90 -104.99 124.9 50.33 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 178.628 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 26' ' ' TYR . . . . . 0.558 ' OH ' ' HA3' ' D' ' 8' ' ' GLY . 78.6 t80 -116.73 122.71 45.28 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.237 -178.414 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 27' ' ' THR . . . . . . . . . . . . . 6.8 p -125.79 97.29 36.14 Favored Pre-proline 0 C--N 1.313 -0.998 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.828 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 28' ' ' PRO . . . . . 0.787 ' HD2' ' HA2' ' B' ' 23' ' ' GLY . 59.5 Cg_endo -72.9 50.85 1.85 Allowed 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 123.046 2.498 . . . . 0.0 111.656 179.431 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 28.2 tttt -115.11 -35.01 4.84 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 114.763 -1.108 . . . . 0.0 109.159 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 8.8 m . . . . . 0 C--O 1.246 0.899 0 CA-C-O 117.994 -1.003 . . . . 0.0 108.32 179.544 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.841 0 N-CA-C 111.886 -0.486 . . . . 0.0 111.886 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' E' E ' 2' ' ' ILE . . . . . . . . . . . . . 4.9 tt -149.42 -41.55 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 120.773 0.32 . . . . 0.0 111.603 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 3' ' ' VAL . . . . . 0.618 HG22 ' HA ' ' F' ' 28' ' ' PRO . 3.2 t -82.59 -37.9 14.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -178.645 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 4' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -60.69 -46.37 90.63 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.109 -179.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 5' ' ' GLN . . . . . 0.495 ' HG3' ' SG ' ' E' ' 11' ' ' CYS . 19.7 pt20 -71.05 -22.7 62.1 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -178.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 6' ' ' CYS . . . . . . . . . . . . . 94.1 m -100.27 -33.49 10.39 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 -177.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 7' ' ' CYS . . . . . 0.494 ' HA ' HG11 ' J' ' 2' ' ' VAL . 49.0 t -76.53 0.69 19.02 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -178.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 1.7 t -88.8 -65.69 0.99 Allowed 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.684 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 9' ' ' SER . . . . . 0.455 ' O ' ' HB ' ' E' ' 10' ' ' ILE . 22.1 m -139.8 29.86 2.09 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 122.354 -0.216 . . . . 0.0 111.575 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 10' ' ' ILE . . . . . 0.455 ' HB ' ' O ' ' E' ' 9' ' ' SER . 2.4 mp 71.79 145.39 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.236 179.654 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 11' ' ' CYS . . . . . 0.495 ' SG ' ' HG3' ' E' ' 5' ' ' GLN . 94.1 m -102.74 168.48 9.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.228 0.537 . . . . 0.0 111.79 -179.441 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 12' ' ' SER . . . . . 0.656 ' HB3' ' HG3' ' E' ' 15' ' ' GLN . 38.1 t -80.45 154.62 27.52 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.584 178.474 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 21.6 tp -54.92 -45.86 74.84 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.071 0.462 . . . . 0.0 111.301 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -65.73 -25.76 67.44 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.027 -0.533 . . . . 0.0 112.184 -178.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . 0.656 ' HG3' ' HB3' ' E' ' 12' ' ' SER . 21.6 mt-30 -72.89 -40.47 65.56 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.812 0.339 . . . . 0.0 110.369 179.735 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 16' ' ' LEU . . . . . . . . . . . . . 82.5 mt -67.65 -34.73 77.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.853 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 17' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -57.12 -26.32 60.31 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.07 -0.514 . . . . 0.0 112.303 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 18' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -70.95 -14.69 62.45 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.81 0.338 . . . . 0.0 111.539 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 19' ' ' TYR . . . . . 0.5 ' HD1' ' HE1' ' F' ' 25' ' ' PHE . 59.7 m-85 -107.29 -3.32 19.82 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.88 0.371 . . . . 0.0 110.925 -179.245 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 20' ' ' CYS . . . . . . . . . . . . . 12.4 t -74.44 149.43 40.4 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.149 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 21' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 . . . . . 0 C--O 1.253 1.252 0 CA-C-O 118.617 -0.706 . . . . 0.0 110.086 -179.535 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' F' F ' 1' ' ' PHE . . . . . 0.499 ' O ' HG21 ' F' ' 2' ' ' VAL . 7.7 p90 . . . . . 0 N--CA 1.486 1.325 0 N-CA-C 111.717 0.265 . . . . 0.0 111.717 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 2' ' ' VAL . . . . . 0.523 HG22 ' HB2' ' F' ' 6' ' ' LEU . 24.6 m 40.07 -136.9 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 124.287 1.035 . . . . 0.0 113.245 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 3' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -159.13 -172.98 3.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.791 0.329 . . . . 0.0 110.39 -178.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 4' ' ' GLN . . . . . 0.561 ' HG3' HG13 ' E' ' 3' ' ' VAL . 29.8 tt0 -49.41 -33.44 13.91 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 124.198 0.999 . . . . 0.0 111.538 178.75 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 5' ' ' HIS . . . . . 0.438 ' HE1' ' HA2' ' H' ' 20' ' ' GLY . 56.8 t60 -58.7 -15.6 12.67 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 115.292 -0.867 . . . . 0.0 112.901 -178.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 6' ' ' LEU . . . . . 0.606 HD23 ' H4 ' ' A' ' 22' ' ' IPH . 41.8 mt -127.03 -20.88 4.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.368 0.604 . . . . 0.0 110.936 179.083 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 7' ' ' CYS . . . . . 0.412 ' SG ' HG12 ' J' ' 2' ' ' VAL . 1.3 t -75.54 -33.75 60.71 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.539 179.567 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 8' ' ' GLY . . . . . 0.564 ' HA3' ' OH ' ' F' ' 26' ' ' TYR . . . -69.86 -22.42 76.97 Favored Glycine 0 N--CA 1.445 -0.733 0 CA-C-N 115.954 -0.567 . . . . 0.0 113.798 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 9' ' ' SER . . . . . 0.887 ' HB2' ' HG2' ' H' ' 13' ' ' GLU . 19.5 p -65.85 -16.15 63.57 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 121.196 0.522 . . . . 0.0 110.829 -179.605 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 10' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -106.26 -20.46 13.39 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.659 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 11' ' ' LEU . . . . . 0.71 HD21 ' H5 ' ' E' ' 22' ' ' IPH . 72.7 mt -68.49 -37.15 79.85 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 177.262 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 12' ' ' VAL . . . . . 1.09 HG22 HG22 ' H' ' 12' ' ' VAL . 4.8 m -67.49 -33.43 62.25 Favored 'Isoleucine or valine' 0 C--O 1.232 0.171 0 CA-C-N 115.098 -0.955 . . . . 0.0 111.688 179.444 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 13' ' ' GLU . . . . . 0.896 ' HG2' ' HB2' ' H' ' 9' ' ' SER . 43.3 mt-10 -56.51 -42.08 77.79 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 121.331 0.586 . . . . 0.0 110.333 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 14' ' ' ALA . . . . . 0.658 ' HB3' HD23 ' L' ' 17' ' ' LEU . . . -81.23 -33.29 32.94 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.679 178.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 15' ' ' LEU . . . . . 0.603 ' HB2' ' HA ' ' F' ' 12' ' ' VAL . 3.0 mt -55.9 -54.71 41.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.495 -179.703 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 16' ' ' TYR . . . . . 0.749 ' HB3' ' CE1' ' F' ' 24' ' ' PHE . 6.6 p90 -76.46 -15.15 59.98 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 119.752 -0.779 . . . . 0.0 111.08 -179.347 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 17' ' ' LEU . . . . . 0.665 HD23 ' HB3' ' L' ' 14' ' ' ALA . 32.6 tp -69.07 -35.0 76.06 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 177.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 94.0 t -67.77 -45.61 84.09 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.516 178.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 19' ' ' CYS . . . . . 0.672 ' HB3' ' HB2' ' F' ' 22' ' ' ARG . 87.8 m -67.62 -43.21 80.94 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.053 179.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 20' ' ' GLY . . . . . 0.41 ' HA2' ' HE1' ' H' ' 5' ' ' HIS . . . 68.41 -87.43 0.2 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 121.355 -0.45 . . . . 0.0 112.957 179.459 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 21' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -88.74 -5.36 58.14 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.019 0.438 . . . . 0.0 110.583 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 22' ' ' ARG . . . . . 0.672 ' HB2' ' HB3' ' F' ' 19' ' ' CYS . 18.9 mtt85 -105.41 172.27 6.88 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.937 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 23' ' ' GLY . . . . . 0.783 ' HA2' ' HD2' ' H' ' 28' ' ' PRO . . . -112.57 -159.29 14.23 Favored Glycine 0 C--O 1.226 -0.387 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 178.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 24' ' ' PHE . . . . . 0.749 ' CE1' ' HB3' ' F' ' 16' ' ' TYR . 8.9 p90 -173.79 158.65 3.3 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.052 0.453 . . . . 0.0 110.451 179.505 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 25' ' ' PHE . . . . . 0.5 ' HE1' ' HD1' ' E' ' 19' ' ' TYR . 3.8 p90 -104.75 124.33 49.21 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 178.658 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 26' ' ' TYR . . . . . 0.564 ' OH ' ' HA3' ' F' ' 8' ' ' GLY . 79.3 t80 -116.12 122.85 46.34 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.149 -178.656 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 27' ' ' THR . . . . . . . . . . . . . 3.2 p -125.67 97.46 36.14 Favored Pre-proline 0 C--N 1.314 -0.95 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.701 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 28' ' ' PRO . . . . . 0.812 ' HD2' ' HA2' ' H' ' 23' ' ' GLY . 61.0 Cg_endo -73.65 52.9 2.59 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.863 2.375 . . . . 0.0 111.396 179.578 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 29' ' ' LYS . . . . . . . . . . . . . 28.5 tttt -117.16 -34.92 4.2 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.88 -1.054 . . . . 0.0 108.964 -179.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 30' ' ' THR . . . . . . . . . . . . . 9.2 m . . . . . 0 C--O 1.245 0.848 0 CA-C-O 118.114 -0.946 . . . . 0.0 108.581 179.567 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' G' G ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.586 0 N-CA-C 111.762 -0.535 . . . . 0.0 111.762 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' G' G ' 2' ' ' ILE . . . . . . . . . . . . . 4.7 tt -150.46 -41.47 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.694 0.283 . . . . 0.0 111.413 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 3' ' ' VAL . . . . . 0.6 HG22 ' HA ' ' H' ' 28' ' ' PRO . 3.3 t -82.53 -38.86 15.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -178.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 4' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -60.06 -45.24 93.54 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.586 0.232 . . . . 0.0 111.381 -178.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 5' ' ' GLN . . . . . 0.471 ' HG3' ' SG ' ' G' ' 11' ' ' CYS . 19.5 pt20 -71.98 -22.26 61.46 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 -178.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 6' ' ' CYS . . . . . . . . . . . . . 91.1 m -100.64 -33.73 10.17 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 113.539 0.94 . . . . 0.0 113.539 -177.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 7' ' ' CYS . . . . . 0.492 ' HA ' HG11 ' D' ' 2' ' ' VAL . 47.7 t -75.73 -0.09 19.68 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -178.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 8' ' ' THR . . . . . . . . . . . . . 1.7 t -88.29 -65.18 1.04 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 121.923 -0.486 . . . . 0.0 110.806 179.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 9' ' ' SER . . . . . 0.434 ' O ' ' HB ' ' G' ' 10' ' ' ILE . 19.9 m -140.71 29.97 1.9 Allowed 'General case' 0 C--N 1.328 -0.329 0 O-C-N 122.238 -0.289 . . . . 0.0 111.681 -179.487 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 10' ' ' ILE . . . . . 0.434 ' HB ' ' O ' ' G' ' 9' ' ' SER . 2.5 mp 71.58 144.26 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.663 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.247 179.529 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 11' ' ' CYS . . . . . 0.471 ' SG ' ' HG3' ' G' ' 5' ' ' GLN . 86.2 m -101.54 169.28 8.95 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.068 0.461 . . . . 0.0 111.766 -179.321 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 12' ' ' SER . . . . . 0.655 ' HB3' ' HG3' ' G' ' 15' ' ' GLN . 31.5 t -80.37 156.3 26.76 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.558 178.44 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 13' ' ' LEU . . . . . . . . . . . . . 21.5 tp -57.56 -45.25 85.38 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.08 0.466 . . . . 0.0 111.242 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -65.75 -25.5 67.3 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.91 -0.587 . . . . 0.0 112.103 -179.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 15' ' ' GLN . . . . . 0.655 ' HG3' ' HB3' ' G' ' 12' ' ' SER . 21.7 mt-30 -73.45 -39.62 64.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.797 0.332 . . . . 0.0 110.614 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 16' ' ' LEU . . . . . . . . . . . . . 82.8 mt -68.54 -34.46 75.9 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.845 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 17' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -58.1 -24.43 58.65 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.858 -0.61 . . . . 0.0 112.264 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 18' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -71.64 -15.89 62.25 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.825 0.345 . . . . 0.0 111.138 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 19' ' ' TYR . . . . . 0.499 ' HD1' ' HE1' ' H' ' 25' ' ' PHE . 59.5 m-85 -106.24 -2.47 22.36 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.876 0.369 . . . . 0.0 110.963 -179.128 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 20' ' ' CYS . . . . . . . . . . . . . 12.1 t -74.59 150.15 39.81 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.182 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 21' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.702 -0.666 . . . . 0.0 110.52 -179.248 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' H' H ' 1' ' ' PHE . . . . . 0.487 ' O ' HG21 ' H' ' 2' ' ' VAL . 6.9 p90 . . . . . 0 N--CA 1.482 1.168 0 N-CA-C 111.642 0.238 . . . . 0.0 111.642 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 2' ' ' VAL . . . . . 0.525 HG22 ' HB2' ' H' ' 6' ' ' LEU . 27.5 m 39.4 -138.49 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 C-N-CA 124.149 0.98 . . . . 0.0 113.438 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 3' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -157.41 -171.89 3.77 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.686 0.279 . . . . 0.0 110.4 -178.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 4' ' ' GLN . . . . . 0.598 ' HG3' HG13 ' G' ' 3' ' ' VAL . 31.5 tt0 -49.92 -34.56 20.9 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 124.359 1.064 . . . . 0.0 111.397 178.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 5' ' ' HIS . . . . . 0.41 ' HE1' ' HA2' ' F' ' 20' ' ' GLY . 57.4 t60 -57.62 -15.75 8.43 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 115.175 -0.92 . . . . 0.0 113.068 -178.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 6' ' ' LEU . . . . . 0.611 HD23 ' H4 ' ' K' ' 22' ' ' IPH . 40.5 mt -126.99 -20.98 4.07 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.423 0.63 . . . . 0.0 110.611 179.32 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 7' ' ' CYS . . . . . 0.416 ' SG ' HG12 ' D' ' 2' ' ' VAL . 1.4 t -75.54 -33.83 60.7 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.612 179.591 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 8' ' ' GLY . . . . . 0.553 ' HA3' ' OH ' ' H' ' 26' ' ' TYR . . . -69.68 -22.56 76.79 Favored Glycine 0 N--CA 1.444 -0.783 0 CA-C-N 115.746 -0.661 . . . . 0.0 113.702 -179.665 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 9' ' ' SER . . . . . 0.896 ' HB2' ' HG2' ' F' ' 13' ' ' GLU . 19.6 p -66.01 -15.74 63.29 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 117.43 0.615 . . . . 0.0 110.795 -179.438 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 10' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -106.42 -20.94 13.23 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.682 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 11' ' ' LEU . . . . . 0.711 HD21 ' H5 ' ' G' ' 22' ' ' IPH . 72.9 mt -68.01 -37.42 81.41 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 177.187 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 12' ' ' VAL . . . . . 1.09 HG22 HG22 ' F' ' 12' ' ' VAL . 4.6 m -67.14 -33.67 64.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.043 -0.98 . . . . 0.0 111.7 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 13' ' ' GLU . . . . . 0.887 ' HG2' ' HB2' ' F' ' 9' ' ' SER . 43.2 mt-10 -56.55 -41.92 77.66 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-O 121.27 0.557 . . . . 0.0 110.368 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 14' ' ' ALA . . . . . 0.661 ' HB3' HD23 ' B' ' 17' ' ' LEU . . . -81.34 -33.58 32.35 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.627 179.008 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 15' ' ' LEU . . . . . 0.595 ' HB2' ' HA ' ' H' ' 12' ' ' VAL . 2.9 mt -55.68 -54.75 40.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.694 -0.684 . . . . 0.0 112.39 -179.705 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 16' ' ' TYR . . . . . 0.751 ' HB3' ' CE1' ' H' ' 24' ' ' PHE . 6.5 p90 -76.63 -14.74 59.96 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 119.724 -0.79 . . . . 0.0 111.092 -179.284 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 17' ' ' LEU . . . . . 0.671 HD23 ' HB3' ' B' ' 14' ' ' ALA . 31.7 tp -69.76 -33.77 72.88 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 108.388 -0.968 . . . . 0.0 108.388 177.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 92.1 t -68.84 -45.11 81.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.452 178.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 19' ' ' CYS . . . . . 0.708 ' HB3' ' HB2' ' H' ' 22' ' ' ARG . 88.9 m -68.41 -42.47 78.94 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.919 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 20' ' ' GLY . . . . . 0.438 ' HA2' ' HE1' ' F' ' 5' ' ' HIS . . . 68.13 -86.61 0.18 Allowed Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 121.415 -0.422 . . . . 0.0 112.932 179.474 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 21' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -88.88 -6.94 56.97 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.977 0.418 . . . . 0.0 110.619 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 22' ' ' ARG . . . . . 0.708 ' HB2' ' HB3' ' H' ' 19' ' ' CYS . 19.1 mtt85 -103.79 173.19 6.41 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.169 -179.619 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 23' ' ' GLY . . . . . 0.812 ' HA2' ' HD2' ' F' ' 28' ' ' PRO . . . -113.63 -159.6 13.43 Favored Glycine 0 N--CA 1.446 -0.659 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 178.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 24' ' ' PHE . . . . . 0.751 ' CE1' ' HB3' ' H' ' 16' ' ' TYR . 8.9 p90 -173.57 159.24 3.56 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 117.258 0.529 . . . . 0.0 110.392 179.446 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 25' ' ' PHE . . . . . 0.499 ' HE1' ' HD1' ' G' ' 19' ' ' TYR . 3.9 p90 -105.58 123.61 48.2 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 178.733 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 26' ' ' TYR . . . . . 0.553 ' OH ' ' HA3' ' H' ' 8' ' ' GLY . 76.5 t80 -115.66 123.1 47.51 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.978 -178.377 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 27' ' ' THR . . . . . . . . . . . . . 5.8 p -126.25 97.53 34.34 Favored Pre-proline 0 C--N 1.316 -0.857 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.768 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 28' ' ' PRO . . . . . 0.783 ' HD2' ' HA2' ' F' ' 23' ' ' GLY . 61.1 Cg_endo -73.3 52.28 2.31 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 123.06 2.506 . . . . 0.0 111.421 179.576 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 29' ' ' LYS . . . . . 0.432 ' C ' ' HG1' ' H' ' 30' ' ' THR . 29.6 tttt -117.75 -31.95 4.98 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 114.793 -1.094 . . . . 0.0 109.348 -178.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 30' ' ' THR . . . . . 0.432 ' HG1' ' C ' ' H' ' 29' ' ' LYS . 8.3 m . . . . . 0 C--O 1.248 1.003 0 CA-C-O 117.936 -1.031 . . . . 0.0 108.382 179.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.378 0 N-CA-C 111.827 -0.509 . . . . 0.0 111.827 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' I' I ' 2' ' ' ILE . . . . . . . . . . . . . 4.4 tt -150.16 -41.05 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 120.851 0.358 . . . . 0.0 111.416 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 3' ' ' VAL . . . . . 0.611 HG22 ' HA ' ' J' ' 28' ' ' PRO . 3.5 t -83.05 -37.97 14.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -178.59 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 4' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -61.35 -44.57 96.95 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.597 0.237 . . . . 0.0 111.101 -178.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 5' ' ' GLN . . . . . 0.496 ' HG3' ' SG ' ' I' ' 11' ' ' CYS . 19.7 pt20 -72.59 -21.66 61.1 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -178.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 6' ' ' CYS . . . . . . . . . . . . . 92.1 m -100.89 -33.57 10.15 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 -177.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 7' ' ' CYS . . . . . 0.501 ' HA ' HG11 ' B' ' 2' ' ' VAL . 49.4 t -76.42 1.25 16.94 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -178.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 8' ' ' THR . . . . . . . . . . . . . 1.4 t -89.86 -64.07 1.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 121.909 -0.495 . . . . 0.0 110.815 179.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 9' ' ' SER . . . . . 0.445 ' O ' ' HB ' ' I' ' 10' ' ' ILE . 16.6 m -140.9 28.91 1.9 Allowed 'General case' 0 C--N 1.328 -0.369 0 O-C-N 122.205 -0.31 . . . . 0.0 111.569 -179.425 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 10' ' ' ILE . . . . . 0.445 ' HB ' ' O ' ' I' ' 9' ' ' SER . 2.5 mp 71.88 144.35 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 CA-C-O 121.162 0.506 . . . . 0.0 111.256 179.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 11' ' ' CYS . . . . . 0.496 ' SG ' ' HG3' ' I' ' 5' ' ' GLN . 87.6 m -101.63 168.48 9.45 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.164 0.507 . . . . 0.0 111.576 -179.282 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 12' ' ' SER . . . . . 0.649 ' HB3' ' HG3' ' I' ' 15' ' ' GLN . 41.7 t -80.46 155.33 27.12 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.519 178.497 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 13' ' ' LEU . . . . . . . . . . . . . 21.8 tp -55.73 -45.7 77.92 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.415 -179.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -65.56 -26.08 67.71 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.992 -0.549 . . . . 0.0 112.25 -178.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 15' ' ' GLN . . . . . 0.649 ' HG3' ' HB3' ' I' ' 12' ' ' SER . 21.4 mt-30 -72.53 -41.02 66.29 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.715 0.293 . . . . 0.0 110.363 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 16' ' ' LEU . . . . . . . . . . . . . 82.8 mt -66.78 -35.1 79.29 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.914 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 17' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -57.07 -25.7 59.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.669 -0.696 . . . . 0.0 112.454 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 18' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -71.48 -15.26 62.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.839 0.352 . . . . 0.0 111.365 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 19' ' ' TYR . . . . . 0.51 ' HD1' ' HE1' ' J' ' 25' ' ' PHE . 60.8 m-85 -106.55 -3.63 20.58 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.949 0.404 . . . . 0.0 110.842 -179.056 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 20' ' ' CYS . . . . . . . . . . . . . 11.8 t -73.8 151.76 40.49 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.079 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 21' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.748 -0.644 . . . . 0.0 110.205 -179.514 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' J' J ' 1' ' ' PHE . . . . . 0.496 ' O ' HG21 ' J' ' 2' ' ' VAL . 7.5 p90 . . . . . 0 N--CA 1.488 1.435 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 2' ' ' VAL . . . . . 0.507 HG22 ' HB2' ' J' ' 6' ' ' LEU . 27.4 m 39.47 -138.21 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 124.119 0.968 . . . . 0.0 113.26 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 3' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -158.21 -171.93 3.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.821 0.344 . . . . 0.0 110.449 -178.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 4' ' ' GLN . . . . . 0.558 ' HG3' HG13 ' I' ' 3' ' ' VAL . 30.8 tt0 -49.51 -34.58 17.59 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 124.375 1.07 . . . . 0.0 111.398 178.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 5' ' ' HIS . . . . . 0.406 ' HE1' ' HA2' ' L' ' 20' ' ' GLY . 56.4 t60 -57.83 -15.87 9.75 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 115.205 -0.907 . . . . 0.0 113.058 -178.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 6' ' ' LEU . . . . . 0.629 HD23 ' H4 ' ' E' ' 22' ' ' IPH . 43.7 mt -126.84 -20.73 4.18 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.385 0.612 . . . . 0.0 110.707 179.155 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 7' ' ' CYS . . . . . . . . . . . . . 1.3 t -75.84 -33.31 60.03 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.495 179.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 8' ' ' GLY . . . . . 0.557 ' HA3' ' OH ' ' J' ' 26' ' ' TYR . . . -70.58 -21.81 77.78 Favored Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.937 -0.649 . . . . 0.0 113.89 -179.659 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 9' ' ' SER . . . . . 0.863 ' HB2' ' HG2' ' L' ' 13' ' ' GLU . 19.5 p -66.3 -15.9 63.6 Favored 'General case' 0 C--O 1.225 -0.209 0 CA-C-N 117.294 0.547 . . . . 0.0 110.737 -179.529 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 10' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -106.3 -20.87 13.26 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.806 -179.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 11' ' ' LEU . . . . . 0.688 HD21 ' H5 ' ' I' ' 22' ' ' IPH . 73.5 mt -68.07 -37.23 81.01 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 177.168 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 12' ' ' VAL . . . . . 1.077 HG22 HG22 ' L' ' 12' ' ' VAL . 5.0 m -67.36 -33.49 62.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 115.01 -0.996 . . . . 0.0 111.761 179.535 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 13' ' ' GLU . . . . . 0.879 ' HG2' ' HB2' ' L' ' 9' ' ' SER . 43.9 mt-10 -56.69 -42.09 78.5 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 121.249 0.547 . . . . 0.0 110.234 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 14' ' ' ALA . . . . . 0.663 ' HB3' HD23 ' D' ' 17' ' ' LEU . . . -81.27 -33.37 32.76 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.515 179.003 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 15' ' ' LEU . . . . . 0.602 ' HB2' ' HA ' ' J' ' 12' ' ' VAL . 3.1 mt -55.66 -54.71 40.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.496 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 16' ' ' TYR . . . . . 0.734 ' HB3' ' CE1' ' J' ' 24' ' ' PHE . 6.7 p90 -76.64 -14.47 59.97 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 119.492 -0.883 . . . . 0.0 111.248 -179.289 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 17' ' ' LEU . . . . . 0.684 HD23 ' HB3' ' D' ' 14' ' ' ALA . 34.7 tp -69.54 -35.29 75.3 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 178.115 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 94.3 t -67.34 -45.38 86.01 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.124 0 CA-C-N 114.867 -1.06 . . . . 0.0 109.475 178.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 19' ' ' CYS . . . . . 0.693 ' HB3' ' HB2' ' J' ' 22' ' ' ARG . 85.7 m -67.72 -43.99 78.7 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.911 179.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 20' ' ' GLY . . . . . 0.453 ' HA2' ' HE1' ' L' ' 5' ' ' HIS . . . 69.77 -86.58 0.28 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 121.35 -0.453 . . . . 0.0 112.62 179.372 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 21' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -89.82 -5.89 56.44 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.112 0.482 . . . . 0.0 110.573 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 22' ' ' ARG . . . . . 0.693 ' HB2' ' HB3' ' J' ' 19' ' ' CYS . 19.3 mtt85 -104.48 173.06 6.46 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.903 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 23' ' ' GLY . . . . . 0.802 ' HA2' ' HD2' ' L' ' 28' ' ' PRO . . . -113.28 -159.33 13.56 Favored Glycine 0 N--CA 1.447 -0.587 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 178.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 24' ' ' PHE . . . . . 0.734 ' CE1' ' HB3' ' J' ' 16' ' ' TYR . 8.3 p90 -173.91 158.56 3.21 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 117.221 0.51 . . . . 0.0 110.401 179.545 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 25' ' ' PHE . . . . . 0.51 ' HE1' ' HD1' ' I' ' 19' ' ' TYR . 3.8 p90 -105.42 121.78 44.62 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.363 0.601 . . . . 0.0 109.815 178.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 26' ' ' TYR . . . . . 0.557 ' OH ' ' HA3' ' J' ' 8' ' ' GLY . 76.4 t80 -113.32 124.2 51.92 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.077 -178.633 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 27' ' ' THR . . . . . . . . . . . . . 3.2 p -127.38 97.43 31.25 Favored Pre-proline 0 C--N 1.318 -0.785 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.671 179.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 28' ' ' PRO . . . . . 0.783 ' HD2' ' HA2' ' L' ' 23' ' ' GLY . 60.3 Cg_endo -73.54 53.36 2.65 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 123.049 2.499 . . . . 0.0 111.329 179.649 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 29' ' ' LYS . . . . . . . . . . . . . 30.5 tttt -118.09 -33.11 4.53 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.607 -1.178 . . . . 0.0 109.177 -179.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 30' ' ' THR . . . . . . . . . . . . . 9.2 m . . . . . 0 C--O 1.245 0.846 0 CA-C-O 118.2 -0.905 . . . . 0.0 108.692 179.716 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.297 0 N-CA-C 111.824 -0.51 . . . . 0.0 111.824 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' K' K ' 2' ' ' ILE . . . . . . . . . . . . . 4.3 tt -150.94 -40.82 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 C-N-CA 121.014 -0.274 . . . . 0.0 111.546 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 3' ' ' VAL . . . . . 0.605 HG22 ' HA ' ' L' ' 28' ' ' PRO . 3.2 t -83.12 -38.34 14.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -178.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' K' K ' 4' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -60.48 -44.07 96.3 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.869 0.366 . . . . 0.0 111.334 -179.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 5' ' ' GLN . . . . . 0.487 ' HG3' ' SG ' ' K' ' 11' ' ' CYS . 19.1 pt20 -73.35 -22.7 60.24 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 -179.035 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' K' K ' 6' ' ' CYS . . . . . . . . . . . . . 93.7 m -100.3 -32.9 10.63 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 113.464 0.913 . . . . 0.0 113.464 -177.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 7' ' ' CYS . . . . . 0.496 ' HA ' HG11 ' H' ' 2' ' ' VAL . 49.5 t -76.88 1.79 16.5 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -178.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' K' K ' 8' ' ' THR . . . . . . . . . . . . . 1.7 t -90.15 -65.18 1.04 Allowed 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.355 -0.538 . . . . 0.0 110.578 179.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 9' ' ' SER . . . . . 0.412 ' O ' ' HB ' ' K' ' 10' ' ' ILE . 24.3 m -140.19 30.7 1.97 Allowed 'General case' 0 C--N 1.328 -0.341 0 O-C-N 122.178 -0.326 . . . . 0.0 111.606 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' K' K ' 10' ' ' ILE . . . . . 0.421 HD13 ' HB ' ' H' ' 2' ' ' VAL . 2.5 mp 70.97 144.47 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 CA-C-O 121.431 0.634 . . . . 0.0 111.474 179.441 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' K' K ' 11' ' ' CYS . . . . . 0.487 ' SG ' ' HG3' ' K' ' 5' ' ' GLN . 89.1 m -101.66 168.14 9.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.198 0.523 . . . . 0.0 111.793 -179.458 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' K' K ' 12' ' ' SER . . . . . 0.629 ' HB3' ' HG3' ' K' ' 15' ' ' GLN . 29.1 t -80.36 154.72 27.57 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.626 -0.716 . . . . 0.0 109.485 178.551 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' K' K ' 13' ' ' LEU . . . . . . . . . . . . . 21.2 tp -55.3 -45.82 76.26 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.419 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -65.47 -25.86 67.68 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.143 -178.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 15' ' ' GLN . . . . . 0.629 ' HG3' ' HB3' ' K' ' 12' ' ' SER . 21.8 mt-30 -73.14 -40.16 65.1 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.649 0.261 . . . . 0.0 110.377 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' K' K ' 16' ' ' LEU . . . . . . . . . . . . . 80.7 mt -67.67 -35.0 78.05 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.082 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 17' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -57.54 -24.44 56.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.699 -0.682 . . . . 0.0 112.239 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 18' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -71.65 -15.89 62.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.825 0.345 . . . . 0.0 111.152 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 19' ' ' TYR . . . . . 0.513 ' HD1' ' HE1' ' L' ' 25' ' ' PHE . 58.0 m-85 -106.31 -3.23 21.4 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.982 -179.071 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' K' K ' 20' ' ' CYS . . . . . . . . . . . . . 11.6 t -74.26 149.16 40.9 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.206 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 21' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 . . . . . 0 C--O 1.25 1.126 0 CA-C-O 118.679 -0.677 . . . . 0.0 110.105 -179.463 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' L' L ' 1' ' ' PHE . . . . . 0.49 ' O ' HG21 ' L' ' 2' ' ' VAL . 6.6 p90 . . . . . 0 N--CA 1.485 1.289 0 N-CA-C 111.814 0.301 . . . . 0.0 111.814 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 2' ' ' VAL . . . . . 0.526 HG22 ' HB2' ' L' ' 6' ' ' LEU . 27.3 m 39.08 -137.17 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 124.274 1.029 . . . . 0.0 113.345 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 3' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -159.16 -172.34 3.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.741 0.305 . . . . 0.0 110.393 -178.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 4' ' ' GLN . . . . . 0.571 ' HG3' HG13 ' K' ' 3' ' ' VAL . 30.8 tt0 -49.43 -33.94 15.33 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 124.301 1.04 . . . . 0.0 111.49 179.041 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 5' ' ' HIS . . . . . 0.453 ' HE1' ' HA2' ' J' ' 20' ' ' GLY . 56.8 t60 -58.55 -15.52 11.66 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 115.342 -0.844 . . . . 0.0 112.998 -178.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 6' ' ' LEU . . . . . 0.609 HD23 ' H4 ' ' C' ' 22' ' ' IPH . 42.5 mt -126.8 -21.34 4.07 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.364 0.602 . . . . 0.0 110.818 179.18 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 7' ' ' CYS . . . . . 0.418 ' SG ' HG12 ' H' ' 2' ' ' VAL . 1.4 t -75.4 -33.43 60.98 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.585 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 8' ' ' GLY . . . . . 0.559 ' HA3' ' OH ' ' L' ' 26' ' ' TYR . . . -70.14 -22.77 77.43 Favored Glycine 0 N--CA 1.447 -0.584 0 CA-C-N 115.716 -0.675 . . . . 0.0 113.729 -179.709 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 9' ' ' SER . . . . . 0.879 ' HB2' ' HG2' ' J' ' 13' ' ' GLU . 19.9 p -65.79 -16.0 63.4 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 117.297 0.548 . . . . 0.0 110.752 -179.552 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 10' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -106.1 -20.96 13.25 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.752 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 11' ' ' LEU . . . . . 0.706 HD21 ' H5 ' ' K' ' 22' ' ' IPH . 72.6 mt -68.06 -37.46 81.31 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 177.253 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 12' ' ' VAL . . . . . 1.077 HG22 HG22 ' J' ' 12' ' ' VAL . 4.8 m -67.21 -33.27 61.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 115.074 -0.966 . . . . 0.0 111.848 179.599 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 13' ' ' GLU . . . . . 0.863 ' HG2' ' HB2' ' J' ' 9' ' ' SER . 43.2 mt-10 -56.71 -42.07 78.5 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-O 121.315 0.579 . . . . 0.0 110.185 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 14' ' ' ALA . . . . . 0.665 ' HB3' HD23 ' F' ' 17' ' ' LEU . . . -81.35 -33.49 32.38 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.61 178.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 15' ' ' LEU . . . . . 0.612 ' HB2' ' HA ' ' L' ' 12' ' ' VAL . 3.0 mt -55.39 -54.67 40.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.491 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 16' ' ' TYR . . . . . 0.744 ' HB3' ' CE1' ' L' ' 24' ' ' PHE . 6.6 p90 -76.96 -14.55 59.84 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 119.721 -0.792 . . . . 0.0 111.152 -179.311 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 17' ' ' LEU . . . . . 0.658 HD23 ' HB3' ' F' ' 14' ' ' ALA . 32.7 tp -69.65 -34.59 74.23 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 177.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 94.4 t -67.91 -45.2 84.39 Favored 'Isoleucine or valine' 0 C--O 1.231 0.12 0 CA-C-N 115.111 -0.95 . . . . 0.0 109.53 178.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 19' ' ' CYS . . . . . 0.679 ' HB3' ' HB2' ' L' ' 22' ' ' ARG . 89.3 m -68.38 -42.33 79.28 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.069 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 20' ' ' GLY . . . . . 0.406 ' HA2' ' HE1' ' J' ' 5' ' ' HIS . . . 67.72 -86.21 0.16 Allowed Glycine 0 N--CA 1.451 -0.314 0 CA-C-N 116.262 -0.426 . . . . 0.0 113.004 179.422 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 21' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -88.89 -7.46 56.06 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.638 0.256 . . . . 0.0 110.687 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 22' ' ' ARG . . . . . 0.679 ' HB2' ' HB3' ' L' ' 19' ' ' CYS . 19.6 mtt85 -103.55 173.72 6.18 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.167 -179.71 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 23' ' ' GLY . . . . . 0.783 ' HA2' ' HD2' ' J' ' 28' ' ' PRO . . . -113.83 -159.25 13.11 Favored Glycine 0 N--CA 1.449 -0.498 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 178.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 24' ' ' PHE . . . . . 0.744 ' CE1' ' HB3' ' L' ' 16' ' ' TYR . 8.9 p90 -173.68 158.78 3.4 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 117.145 0.472 . . . . 0.0 110.485 179.438 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 25' ' ' PHE . . . . . 0.513 ' HE1' ' HD1' ' K' ' 19' ' ' TYR . 3.8 p90 -104.99 123.9 48.59 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 178.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 26' ' ' TYR . . . . . 0.559 ' OH ' ' HA3' ' L' ' 8' ' ' GLY . 77.9 t80 -115.72 123.44 48.29 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.998 -178.511 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 27' ' ' THR . . . . . . . . . . . . . 5.5 p -126.59 97.41 33.62 Favored Pre-proline 0 C--N 1.317 -0.834 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.812 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 28' ' ' PRO . . . . . 0.802 ' HD2' ' HA2' ' J' ' 23' ' ' GLY . 61.6 Cg_endo -73.6 52.69 2.53 Favored 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 122.978 2.452 . . . . 0.0 111.435 179.629 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 29' ' ' LYS . . . . . . . . . . . . . 29.3 tttt -117.55 -32.7 4.81 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.621 -1.172 . . . . 0.0 109.265 -179.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 30' ' ' THR . . . . . . . . . . . . . 7.7 m . . . . . 0 C--O 1.245 0.843 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 179.476 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' IPH . . . . . 0.707 ' H5 ' HD21 ' B' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 22' ' ' IPH . . . . . 0.695 ' H5 ' HD21 ' D' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 22' ' ' IPH . . . . . 0.71 ' H5 ' HD21 ' F' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 22' ' ' IPH . . . . . 0.711 ' H5 ' HD21 ' H' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 22' ' ' IPH . . . . . 0.688 ' H5 ' HD21 ' J' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 22' ' ' IPH . . . . . 0.706 ' H5 ' HD21 ' L' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.23 0 N-CA-C 111.475 -0.65 . . . . 0.0 111.475 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.409 HG21 ' H ' ' A' ' 3' ' ' VAL . 7.9 tt 177.61 -40.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.414 0.626 . . . . 0.0 110.524 179.545 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.598 HG23 ' HG3' ' B' ' 4' ' ' GLN . 97.3 t -59.92 -34.21 55.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.303 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.456 ' H ' ' CD ' ' A' ' 4' ' ' GLU . 2.5 mp0 -57.63 -22.99 48.76 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 113.072 0.768 . . . . 0.0 113.072 -179.041 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.454 ' HG3' ' SG ' ' A' ' 11' ' ' CYS . 14.5 pt20 -124.93 -38.23 2.37 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -178.721 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 78.7 m -78.89 -25.54 43.84 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.052 0.389 . . . . 0.0 112.052 -178.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.612 ' HB2' HD12 ' B' ' 11' ' ' LEU . 41.0 t -98.04 -6.47 31.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.955 0.407 . . . . 0.0 111.297 -179.698 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.7 p -90.97 -61.36 1.69 Allowed 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.117 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.473 ' O ' ' HB ' ' A' ' 10' ' ' ILE . 13.3 p -130.06 15.39 5.71 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -179.488 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.677 HD13 ' HB ' ' F' ' 2' ' ' VAL . 2.2 mp 73.5 136.03 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-O 121.46 0.647 . . . . 0.0 111.402 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.454 ' SG ' ' HG3' ' A' ' 5' ' ' GLN . 91.2 m -91.79 158.81 16.14 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.793 179.407 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 26.1 t -74.99 166.45 23.64 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.179 179.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.443 ' HG ' HG12 ' B' ' 18' ' ' VAL . 10.2 tt -57.98 -60.41 3.76 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.311 -179.246 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -65.38 -19.43 65.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.017 0.437 . . . . 0.0 110.978 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -75.31 -31.45 60.65 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.252 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.427 HD22 ' HB2' ' A' ' 11' ' ' CYS . 84.2 mt -71.74 -29.69 64.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.134 0.492 . . . . 0.0 110.045 178.785 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -63.76 -15.95 59.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.436 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -69.39 -18.5 63.77 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.196 0.522 . . . . 0.0 110.292 178.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 55.3 m-85 -104.44 -2.79 24.87 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.145 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.415 ' HA ' ' CB ' ' B' ' 24' ' ' PHE . 3.7 t -88.33 -176.33 5.32 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.613 179.642 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.6 m120 . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.459 -0.781 . . . . 0.0 110.813 179.768 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . 0.606 ' O ' HG21 ' B' ' 2' ' ' VAL . 49.2 t80 . . . . . 0 N--CA 1.483 1.192 0 N-CA-C 110.549 -0.167 . . . . 0.0 110.549 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . 0.663 ' HB ' HD13 ' I' ' 10' ' ' ILE . 11.5 m 47.97 -159.16 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 C-N-CA 124.587 1.155 . . . . 0.0 112.677 -179.352 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . 0.5 ' CG ' ' H ' ' B' ' 4' ' ' GLN . 43.3 t30 -150.33 -167.58 2.86 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.955 0.407 . . . . 0.0 111.079 -178.161 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . 0.598 ' HG3' HG23 ' A' ' 3' ' ' VAL . 29.0 tt0 -49.1 -35.91 17.45 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 124.019 0.928 . . . . 0.0 112.297 179.612 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 55.4 t60 -59.0 -18.29 32.89 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -178.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.595 HD23 ' C4 ' ' I' ' 22' ' ' IPH . 25.2 mt -120.07 -20.22 7.51 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.142 0.496 . . . . 0.0 110.802 179.072 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . 0.452 ' O ' ' HG ' ' B' ' 11' ' ' LEU . 36.6 t -75.88 -44.3 41.28 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.568 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . 0.469 ' HA2' ' HG ' ' B' ' 11' ' ' LEU . . . -61.24 -27.24 67.2 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 121.168 -0.539 . . . . 0.0 112.798 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' SER . . . . . 0.415 ' O ' ' HG2' ' D' ' 13' ' ' GLU . 7.1 m -57.67 -27.23 62.68 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 122.96 0.504 . . . . 0.0 111.209 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . 0.6 ' HA ' ' HG3' ' B' ' 13' ' ' GLU . 95.1 m-70 -104.63 -12.08 16.59 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.454 -178.596 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.795 ' HA ' ' H5 ' ' A' ' 22' ' ' IPH . 47.3 mt -74.32 -38.18 63.37 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 177.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 1.016 HG22 HG22 ' D' ' 12' ' ' VAL . 0.7 OUTLIER -67.78 -30.3 48.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.082 -0.963 . . . . 0.0 111.941 179.723 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.6 ' HG3' ' HA ' ' B' ' 10' ' ' HIS . 25.7 mt-10 -57.39 -54.99 40.57 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 121.079 0.466 . . . . 0.0 109.831 179.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.16 -32.9 72.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.905 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.537 ' HB2' ' HA ' ' B' ' 12' ' ' VAL . 2.5 mt -52.78 -62.68 1.49 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.047 -0.524 . . . . 0.0 112.013 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . 0.716 ' HB3' ' CE1' ' B' ' 24' ' ' PHE . 3.2 p90 -76.67 -16.37 59.55 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 119.813 -0.755 . . . . 0.0 111.166 -179.094 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.497 HD13 ' H3 ' ' G' ' 22' ' ' IPH . 7.9 tt -68.36 -40.29 81.54 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 178.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.443 HG12 ' HG ' ' A' ' 13' ' ' LEU . 52.2 t -67.67 -43.78 86.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.692 178.481 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . 0.986 ' HB3' ' HB3' ' B' ' 22' ' ' ARG . 73.6 m -67.66 -37.84 82.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.273 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.53 -108.03 2.59 Favored Glycine 0 N--CA 1.451 -0.336 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -179.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.513 ' O ' ' HD2' ' D' ' 29' ' ' LYS . 56.0 mt-10 -96.85 51.8 1.15 Allowed 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 178.134 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . 0.986 ' HB3' ' HB3' ' B' ' 19' ' ' CYS . 74.7 ttt180 -140.96 131.02 24.66 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.799 -1.091 . . . . 0.0 109.181 -178.576 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . 0.526 ' HA2' ' HD2' ' D' ' 28' ' ' PRO . . . -83.36 170.86 49.34 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.673 -0.775 . . . . 0.0 113.477 -178.487 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . 0.716 ' CE1' ' HB3' ' B' ' 16' ' ' TYR . 11.2 p90 -154.43 170.72 20.71 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-O 121.124 0.488 . . . . 0.0 110.295 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -116.66 132.59 56.65 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -129.96 119.16 22.77 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.122 0.487 . . . . 0.0 110.997 -179.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 9.3 p -123.1 101.85 38.03 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.39 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . 0.549 ' HD2' ' HA2' ' D' ' 23' ' ' GLY . 90.4 Cg_endo -78.84 50.72 3.55 Favored 'Trans proline' 0 C--O 1.234 0.281 0 C-N-CA 122.527 2.151 . . . . 0.0 111.743 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.493 ' HD2' ' O ' ' D' ' 21' ' ' GLU . 63.2 tttm -153.01 92.55 1.64 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.388 -179.497 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 5.2 m . . . . . 0 C--O 1.25 1.117 0 CA-C-O 118.105 -0.95 . . . . 0.0 110.234 -178.848 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.656 0 N-CA-C 112.56 -0.216 . . . . 0.0 112.56 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 2' ' ' ILE . . . . . 0.455 HG21 ' H ' ' C' ' 3' ' ' VAL . 7.9 tt 179.82 -40.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 121.161 0.505 . . . . 0.0 110.174 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 3' ' ' VAL . . . . . 0.594 HG23 ' HG3' ' D' ' 4' ' ' GLN . 96.5 t -59.76 -33.41 52.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.366 -179.626 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 4' ' ' GLU . . . . . 0.422 ' H ' ' CD ' ' C' ' 4' ' ' GLU . 2.3 mp0 -57.76 -24.83 58.99 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.772 -178.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 5' ' ' GLN . . . . . 0.46 ' HG3' ' SG ' ' C' ' 11' ' ' CYS . 14.2 pt20 -123.33 -38.04 2.61 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 -179.055 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 76.5 m -78.59 -25.29 45.21 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -178.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 7' ' ' CYS . . . . . 0.629 ' HB2' HD12 ' D' ' 11' ' ' LEU . 41.1 t -98.19 -6.18 31.86 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.199 -179.719 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 2.8 p -91.26 -61.15 1.72 Allowed 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.726 -0.39 . . . . 0.0 111.232 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 9' ' ' SER . . . . . 0.485 ' O ' ' HB ' ' C' ' 10' ' ' ILE . 15.3 p -130.39 16.02 5.5 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -179.495 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . 0.685 HD13 ' HB ' ' L' ' 2' ' ' VAL . 2.2 mp 73.15 136.71 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-O 121.413 0.625 . . . . 0.0 111.504 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 11' ' ' CYS . . . . . 0.472 ' N ' HG21 ' C' ' 10' ' ' ILE . 95.3 m -92.42 158.5 16.02 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.693 179.286 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 25.1 t -74.92 166.98 22.78 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.128 179.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 13' ' ' LEU . . . . . 0.425 ' HG ' HG12 ' D' ' 18' ' ' VAL . 10.3 tt -58.21 -60.15 4.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.337 -179.189 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -65.68 -19.72 66.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.195 0.521 . . . . 0.0 110.901 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -74.88 -32.02 61.75 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.245 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 16' ' ' LEU . . . . . 0.432 HD22 ' HB2' ' C' ' 11' ' ' CYS . 79.9 mt -70.94 -29.55 65.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.174 178.712 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -63.88 -15.99 60.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.548 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -68.99 -19.03 64.14 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 121.143 0.497 . . . . 0.0 110.442 178.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -104.01 -2.44 26.03 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.072 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 20' ' ' CYS . . . . . 0.403 ' HA ' ' CB ' ' D' ' 24' ' ' PHE . 3.9 t -89.3 -178.5 5.64 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.157 -0.929 . . . . 0.0 109.663 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 3.5 m120 . . . . . 0 C--O 1.251 1.165 0 CA-C-O 118.443 -0.789 . . . . 0.0 110.523 179.828 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 1' ' ' PHE . . . . . 0.601 ' O ' HG21 ' D' ' 2' ' ' VAL . 48.6 t80 . . . . . 0 N--CA 1.485 1.275 0 CA-C-O 120.572 0.225 . . . . 0.0 110.727 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 2' ' ' VAL . . . . . 0.674 ' HB ' HD13 ' G' ' 10' ' ' ILE . 11.9 m 47.0 -158.88 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 124.562 1.145 . . . . 0.0 112.723 -179.543 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 3' ' ' ASN . . . . . 0.488 ' CG ' ' H ' ' D' ' 4' ' ' GLN . 39.4 t30 -150.14 -167.64 2.88 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.902 0.382 . . . . 0.0 111.192 -178.279 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 4' ' ' GLN . . . . . 0.594 ' HG3' HG23 ' C' ' 3' ' ' VAL . 30.0 tt0 -48.95 -36.68 17.99 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 123.983 0.913 . . . . 0.0 112.167 179.707 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 5' ' ' HIS . . . . . 0.424 ' NE2' ' HG ' ' B' ' 17' ' ' LEU . 57.5 t60 -58.27 -18.42 26.69 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 112.751 0.649 . . . . 0.0 112.751 -178.685 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 6' ' ' LEU . . . . . 0.581 HD23 ' C4 ' ' G' ' 22' ' ' IPH . 25.1 mt -119.8 -20.41 7.61 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.368 0.604 . . . . 0.0 110.814 179.16 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 7' ' ' CYS . . . . . 0.451 ' O ' ' HG ' ' D' ' 11' ' ' LEU . 36.7 t -75.67 -44.41 42.47 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.59 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 8' ' ' GLY . . . . . 0.471 ' HA2' ' HG ' ' D' ' 11' ' ' LEU . . . -61.46 -26.7 66.75 Favored Glycine 0 C--N 1.332 0.307 0 C-N-CA 121.277 -0.487 . . . . 0.0 112.697 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 9' ' ' SER . . . . . 0.435 ' O ' ' HG2' ' B' ' 13' ' ' GLU . 5.6 m -58.1 -27.07 63.37 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.08 0.467 . . . . 0.0 111.29 -179.753 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 10' ' ' HIS . . . . . 0.625 ' HA ' ' HG3' ' D' ' 13' ' ' GLU . 94.7 m-70 -104.83 -12.06 16.47 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.463 -178.535 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 11' ' ' LEU . . . . . 0.82 ' HA ' ' H5 ' ' C' ' 22' ' ' IPH . 48.2 mt -74.23 -38.45 63.52 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 177.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . 1.016 HG22 HG22 ' B' ' 12' ' ' VAL . 0.7 OUTLIER -67.49 -30.26 48.3 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-N 115.124 -0.944 . . . . 0.0 112.025 179.643 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' D' D ' 13' ' ' GLU . . . . . 0.625 ' HG3' ' HA ' ' D' ' 10' ' ' HIS . 25.2 mt-10 -57.27 -55.14 38.66 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.2 -32.63 72.04 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.93 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 15' ' ' LEU . . . . . 0.539 ' HB2' ' HA ' ' D' ' 12' ' ' VAL . 2.6 mt -52.93 -63.25 1.21 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.9 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 16' ' ' TYR . . . . . 0.717 ' HB3' ' CE1' ' D' ' 24' ' ' PHE . 3.2 p90 -76.03 -16.26 59.98 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.026 -0.669 . . . . 0.0 111.153 -178.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . 0.505 HD13 ' H3 ' ' I' ' 22' ' ' IPH . 8.1 tt -68.71 -40.87 79.78 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 178.79 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . 0.425 HG12 ' HG ' ' C' ' 13' ' ' LEU . 52.8 t -66.94 -44.36 88.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.353 -0.839 . . . . 0.0 109.661 178.229 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 19' ' ' CYS . . . . . 0.974 ' HB3' ' HB3' ' D' ' 22' ' ' ARG . 75.1 m -67.32 -37.94 84.13 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.434 179.777 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.51 -107.75 2.53 Favored Glycine 0 N--CA 1.451 -0.364 0 N-CA-C 111.452 -0.659 . . . . 0.0 111.452 -179.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 21' ' ' GLU . . . . . 0.493 ' O ' ' HD2' ' B' ' 29' ' ' LYS . 52.4 mt-10 -96.94 51.43 1.13 Allowed 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 178.213 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 22' ' ' ARG . . . . . 0.974 ' HB3' ' HB3' ' D' ' 19' ' ' CYS . 74.5 ttt180 -140.41 132.66 28.19 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 114.825 -1.08 . . . . 0.0 109.006 -178.544 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 23' ' ' GLY . . . . . 0.549 ' HA2' ' HD2' ' B' ' 28' ' ' PRO . . . -84.44 170.56 46.7 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.803 -0.713 . . . . 0.0 113.396 -178.662 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 24' ' ' PHE . . . . . 0.717 ' CE1' ' HB3' ' D' ' 16' ' ' TYR . 10.9 p90 -154.4 170.8 20.49 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-O 121.166 0.508 . . . . 0.0 110.505 179.728 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 25' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -116.7 132.19 56.75 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.292 179.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 26' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -129.51 119.31 23.5 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.211 0.529 . . . . 0.0 110.998 -179.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 27' ' ' THR . . . . . . . . . . . . . 6.7 p -123.53 101.78 36.74 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.344 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 28' ' ' PRO . . . . . 0.526 ' HD2' ' HA2' ' B' ' 23' ' ' GLY . 95.6 Cg_endo -79.47 51.58 3.94 Favored 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 122.76 2.307 . . . . 0.0 111.686 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 29' ' ' LYS . . . . . 0.513 ' HD2' ' O ' ' B' ' 21' ' ' GLU . 63.0 tttm -154.08 90.09 1.34 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.853 -179.364 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 16.0 m . . . . . 0 C--O 1.252 1.186 0 CA-C-O 118.167 -0.921 . . . . 0.0 110.162 -179.074 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.556 0 CA-C-O 121.104 0.28 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' E' E ' 2' ' ' ILE . . . . . 0.432 HG21 ' H ' ' E' ' 3' ' ' VAL . 7.6 tt -178.1 -39.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.15 0.5 . . . . 0.0 110.246 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 3' ' ' VAL . . . . . 0.57 HG23 ' HG3' ' F' ' 4' ' ' GLN . 91.7 t -59.84 -33.47 52.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.487 -0.778 . . . . 0.0 111.5 -179.484 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 4' ' ' GLU . . . . . 0.424 ' H ' ' CD ' ' E' ' 4' ' ' GLU . 2.4 mp0 -58.39 -23.15 56.25 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -178.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 5' ' ' GLN . . . . . 0.462 ' HG3' ' SG ' ' E' ' 11' ' ' CYS . 14.6 pt20 -124.28 -38.64 2.41 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -179.056 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 6' ' ' CYS . . . . . . . . . . . . . 79.4 m -78.63 -25.04 44.99 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -178.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 7' ' ' CYS . . . . . 0.585 ' HB2' HD12 ' F' ' 11' ' ' LEU . 41.5 t -98.02 -6.86 31.04 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.998 0.428 . . . . 0.0 111.375 -179.787 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 2.7 p -90.71 -62.33 1.48 Allowed 'General case' 0 C--N 1.323 -0.554 0 O-C-N 122.158 -0.339 . . . . 0.0 111.114 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 9' ' ' SER . . . . . 0.458 ' O ' ' HB ' ' E' ' 10' ' ' ILE . 17.5 p -129.37 16.85 6.01 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -179.534 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 10' ' ' ILE . . . . . 0.689 HD13 ' HB ' ' J' ' 2' ' ' VAL . 2.2 mp 72.46 138.22 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 CA-C-O 121.449 0.642 . . . . 0.0 111.485 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 11' ' ' CYS . . . . . 0.481 ' N ' HG21 ' E' ' 10' ' ' ILE . 89.3 m -93.89 158.45 15.64 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.73 179.35 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 12' ' ' SER . . . . . . . . . . . . . 22.8 t -74.77 166.18 24.03 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.14 179.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 13' ' ' LEU . . . . . 0.452 ' HG ' HG12 ' F' ' 18' ' ' VAL . 10.2 tt -57.29 -60.6 3.38 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.456 -179.077 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -65.02 -20.24 66.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.294 0.568 . . . . 0.0 110.88 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -74.42 -32.19 62.57 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.286 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 16' ' ' LEU . . . . . 0.428 HD22 ' HB2' ' E' ' 11' ' ' CYS . 82.7 mt -71.16 -29.75 65.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.165 178.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 17' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -63.67 -17.65 63.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.411 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 18' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -67.11 -20.56 65.8 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.125 0.488 . . . . 0.0 110.493 178.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 19' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -102.79 -0.67 31.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.409 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 20' ' ' CYS . . . . . 0.407 ' HA ' ' CB ' ' F' ' 24' ' ' PHE . 3.9 t -90.56 -177.12 4.96 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.544 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 21' ' ' ASN . . . . . . . . . . . . . 3.2 m120 . . . . . 0 C--O 1.245 0.854 0 CA-C-O 118.67 -0.681 . . . . 0.0 110.397 179.603 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' F' F ' 1' ' ' PHE . . . . . 0.592 ' O ' HG21 ' F' ' 2' ' ' VAL . 47.2 t80 . . . . . 0 N--CA 1.48 1.066 0 CA-C-O 120.46 0.171 . . . . 0.0 110.813 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 2' ' ' VAL . . . . . 0.677 ' HB ' HD13 ' A' ' 10' ' ' ILE . 10.9 m 47.88 -158.55 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 124.716 1.206 . . . . 0.0 112.679 -179.42 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 3' ' ' ASN . . . . . 0.458 ' CG ' ' H ' ' F' ' 4' ' ' GLN . 36.0 t30 -151.38 -167.9 2.93 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.848 0.356 . . . . 0.0 111.047 -178.092 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 4' ' ' GLN . . . . . 0.57 ' HG3' HG23 ' E' ' 3' ' ' VAL . 29.4 tt0 -48.28 -37.21 15.75 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 124.07 0.948 . . . . 0.0 112.252 179.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 5' ' ' HIS . . . . . 0.408 ' NE2' ' HG ' ' H' ' 17' ' ' LEU . 55.3 t60 -57.85 -18.98 25.73 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -178.648 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 6' ' ' LEU . . . . . 0.584 HD23 ' C4 ' ' A' ' 22' ' ' IPH . 26.2 mt -119.43 -19.75 8.09 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.266 0.555 . . . . 0.0 110.964 179.131 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 7' ' ' CYS . . . . . 0.443 ' O ' ' HG ' ' F' ' 11' ' ' LEU . 35.7 t -76.12 -44.66 37.5 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.667 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 8' ' ' GLY . . . . . 0.47 ' HA2' ' HG ' ' F' ' 11' ' ' LEU . . . -60.99 -26.88 66.21 Favored Glycine 0 N--CA 1.453 -0.216 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.676 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 9' ' ' SER . . . . . 0.427 ' O ' ' HG2' ' H' ' 13' ' ' GLU . 6.8 m -57.85 -27.45 63.24 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 123.047 0.539 . . . . 0.0 111.124 -179.644 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 10' ' ' HIS . . . . . 0.607 ' HA ' ' HG3' ' F' ' 13' ' ' GLU . 94.9 m-70 -104.53 -12.2 16.6 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.538 -178.598 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 11' ' ' LEU . . . . . 0.82 ' HA ' ' H5 ' ' E' ' 22' ' ' IPH . 46.2 mt -74.29 -38.16 63.45 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 177.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 12' ' ' VAL . . . . . 1.004 HG22 HG22 ' H' ' 12' ' ' VAL . 0.8 OUTLIER -67.76 -30.24 47.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.257 -0.883 . . . . 0.0 112.14 179.694 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' F' F ' 13' ' ' GLU . . . . . 0.607 ' HG3' ' HA ' ' F' ' 10' ' ' HIS . 25.5 mt-10 -57.35 -55.26 37.11 Favored 'General case' 0 CA--C 1.519 -0.232 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.19 -32.39 71.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.1 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 15' ' ' LEU . . . . . 0.54 ' HB2' ' HA ' ' F' ' 12' ' ' VAL . 2.2 mt -52.93 -62.9 1.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.944 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 16' ' ' TYR . . . . . 0.719 ' HB3' ' CE1' ' F' ' 24' ' ' PHE . 3.2 p90 -76.18 -16.82 59.78 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.048 -0.661 . . . . 0.0 111.019 -179.235 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 17' ' ' LEU . . . . . 0.484 HD13 ' H3 ' ' K' ' 22' ' ' IPH . 8.2 tt -68.42 -39.38 81.6 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 178.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . 0.452 HG12 ' HG ' ' E' ' 13' ' ' LEU . 54.2 t -68.63 -42.87 83.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.496 -0.774 . . . . 0.0 109.755 178.274 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 19' ' ' CYS . . . . . 0.95 ' HB3' ' HB3' ' F' ' 22' ' ' ARG . 73.4 m -68.74 -36.86 78.94 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.578 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.81 -108.47 2.62 Favored Glycine 0 N--CA 1.45 -0.407 0 N-CA-C 111.383 -0.687 . . . . 0.0 111.383 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 21' ' ' GLU . . . . . 0.494 ' O ' ' HD2' ' H' ' 29' ' ' LYS . 55.8 mt-10 -96.24 51.37 1.21 Allowed 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 178.047 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 22' ' ' ARG . . . . . 0.95 ' HB3' ' HB3' ' F' ' 19' ' ' CYS . 74.2 ttt180 -140.27 131.44 26.47 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.892 -1.049 . . . . 0.0 109.13 -178.619 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 23' ' ' GLY . . . . . 0.536 ' HA2' ' HD2' ' H' ' 28' ' ' PRO . . . -83.01 170.99 50.24 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.872 -0.68 . . . . 0.0 113.335 -178.721 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 24' ' ' PHE . . . . . 0.719 ' CE1' ' HB3' ' F' ' 16' ' ' TYR . 11.1 p90 -155.15 170.21 22.34 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-O 121.037 0.446 . . . . 0.0 110.183 179.715 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 25' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -116.33 132.03 56.78 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.208 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 26' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -129.0 119.85 24.99 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.183 0.516 . . . . 0.0 110.916 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 27' ' ' THR . . . . . . . . . . . . . 7.6 p -123.96 101.74 35.39 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.54 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 28' ' ' PRO . . . . . 0.545 ' HD2' ' HA2' ' H' ' 23' ' ' GLY . 88.5 Cg_endo -79.3 52.39 4.26 Favored 'Trans proline' 0 C--O 1.234 0.31 0 C-N-CA 122.785 2.323 . . . . 0.0 111.68 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 29' ' ' LYS . . . . . 0.523 ' HD2' ' O ' ' H' ' 21' ' ' GLU . 62.2 tttm -155.07 91.5 1.36 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.527 -179.485 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 30' ' ' THR . . . . . . . . . . . . . 5.5 m . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.165 -0.921 . . . . 0.0 110.264 -179.011 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' G' G ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.734 0 N-CA-C 112.615 -0.194 . . . . 0.0 112.615 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' G' G ' 2' ' ' ILE . . . . . 0.421 HG21 ' H ' ' G' ' 3' ' ' VAL . 7.6 tt -179.94 -39.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.401 0.619 . . . . 0.0 110.276 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 3' ' ' VAL . . . . . 0.593 HG23 ' HG3' ' H' ' 4' ' ' GLN . 98.6 t -60.11 -33.61 53.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.479 -179.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 4' ' ' GLU . . . . . 0.424 ' H ' ' CD ' ' G' ' 4' ' ' GLU . 2.3 mp0 -58.25 -23.21 55.24 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.97 0.73 . . . . 0.0 112.97 -178.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 5' ' ' GLN . . . . . 0.459 ' HG3' ' SG ' ' G' ' 11' ' ' CYS . 14.7 pt20 -124.38 -38.97 2.37 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -179.227 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 6' ' ' CYS . . . . . . . . . . . . . 82.5 m -78.17 -24.19 47.36 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -178.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 7' ' ' CYS . . . . . 0.598 ' HB2' HD12 ' H' ' 11' ' ' LEU . 41.6 t -99.36 -6.36 27.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.069 0.461 . . . . 0.0 111.309 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 8' ' ' THR . . . . . . . . . . . . . 2.0 p -90.65 -62.32 1.48 Allowed 'General case' 0 C--N 1.323 -0.564 0 O-C-N 122.09 -0.381 . . . . 0.0 110.996 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 9' ' ' SER . . . . . 0.489 ' O ' ' HB ' ' G' ' 10' ' ' ILE . 17.0 p -129.49 15.22 6.04 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -179.478 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 10' ' ' ILE . . . . . 0.674 HD13 ' HB ' ' D' ' 2' ' ' VAL . 2.2 mp 74.34 136.96 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 CA-C-O 121.483 0.658 . . . . 0.0 111.524 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 11' ' ' CYS . . . . . 0.459 ' SG ' ' HG3' ' G' ' 5' ' ' GLN . 92.1 m -92.43 159.81 15.37 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.647 179.343 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 12' ' ' SER . . . . . . . . . . . . . 22.8 t -76.12 167.84 21.13 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.286 -0.415 . . . . 0.0 109.966 179.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 13' ' ' LEU . . . . . 0.444 ' HG ' HG12 ' H' ' 18' ' ' VAL . 10.3 tt -58.98 -60.37 3.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.436 -179.113 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 3.4 p90 -64.8 -20.75 66.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.133 0.492 . . . . 0.0 110.769 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -73.77 -32.78 63.96 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.331 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 16' ' ' LEU . . . . . 0.412 HD22 ' HB2' ' G' ' 11' ' ' CYS . 82.4 mt -70.73 -29.72 66.05 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.211 178.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 17' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -63.61 -16.58 61.27 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.514 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 18' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -68.56 -18.35 64.32 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.083 0.468 . . . . 0.0 110.514 178.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 19' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -104.87 -1.19 26.3 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.979 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 20' ' ' CYS . . . . . 0.404 ' HA ' ' CB ' ' H' ' 24' ' ' PHE . 3.7 t -90.59 -178.79 5.39 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.475 179.674 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 21' ' ' ASN . . . . . . . . . . . . . 3.4 m120 . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.577 -0.725 . . . . 0.0 110.548 179.824 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' H' H ' 1' ' ' PHE . . . . . 0.605 ' O ' HG21 ' H' ' 2' ' ' VAL . 48.0 t80 . . . . . 0 N--CA 1.482 1.147 0 CA-C-O 120.561 0.219 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 2' ' ' VAL . . . . . 0.659 ' HB ' HD13 ' K' ' 10' ' ' ILE . 11.4 m 47.99 -159.09 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 124.548 1.139 . . . . 0.0 112.7 -179.461 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 3' ' ' ASN . . . . . 0.495 ' CG ' ' H ' ' H' ' 4' ' ' GLN . 37.3 t30 -150.51 -167.7 2.89 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.904 -0.318 . . . . 0.0 111.278 -178.204 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 4' ' ' GLN . . . . . 0.593 ' HG3' HG23 ' G' ' 3' ' ' VAL . 28.7 tt0 -48.58 -36.77 16.3 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 124.0 0.92 . . . . 0.0 112.134 179.641 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 5' ' ' HIS . . . . . . . . . . . . . 55.3 t60 -58.55 -18.14 27.2 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 -178.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 6' ' ' LEU . . . . . 0.596 HD23 ' C4 ' ' K' ' 22' ' ' IPH . 24.2 mt -120.34 -20.04 7.41 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.217 0.532 . . . . 0.0 110.673 179.225 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 7' ' ' CYS . . . . . 0.44 ' O ' ' HG ' ' H' ' 11' ' ' LEU . 35.0 t -76.14 -44.17 39.52 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.65 179.685 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 8' ' ' GLY . . . . . 0.46 ' HA2' ' HG ' ' H' ' 11' ' ' LEU . . . -61.31 -26.71 66.53 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 121.268 -0.491 . . . . 0.0 112.752 179.758 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 9' ' ' SER . . . . . 0.422 ' O ' ' HG2' ' F' ' 13' ' ' GLU . 5.7 m -57.98 -27.67 63.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.152 0.501 . . . . 0.0 111.167 -179.668 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 10' ' ' HIS . . . . . 0.605 ' HA ' ' HG3' ' H' ' 13' ' ' GLU . 94.4 m-70 -104.24 -11.98 16.91 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.396 -178.454 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 11' ' ' LEU . . . . . 0.796 ' HA ' ' H5 ' ' G' ' 22' ' ' IPH . 47.5 mt -74.09 -38.41 63.89 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 177.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 12' ' ' VAL . . . . . 1.004 HG22 HG22 ' F' ' 12' ' ' VAL . 0.8 OUTLIER -67.52 -30.28 48.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.115 -0.948 . . . . 0.0 111.89 179.706 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' H' H ' 13' ' ' GLU . . . . . 0.605 ' HG3' ' HA ' ' H' ' 10' ' ' HIS . 24.9 mt-10 -57.26 -55.65 32.03 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-O 121.032 0.444 . . . . 0.0 109.819 179.724 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.48 -33.05 73.47 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.097 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 15' ' ' LEU . . . . . 0.536 ' HB2' ' HA ' ' H' ' 12' ' ' VAL . 2.3 mt -52.51 -62.88 1.36 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.015 -179.724 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 16' ' ' TYR . . . . . 0.72 ' HB3' ' CE1' ' H' ' 24' ' ' PHE . 3.3 p90 -76.43 -16.43 59.69 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 120.06 -0.656 . . . . 0.0 111.1 -179.248 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 17' ' ' LEU . . . . . 0.506 HD13 ' H3 ' ' A' ' 22' ' ' IPH . 8.1 tt -68.82 -39.36 80.05 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 178.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . 0.444 HG12 ' HG ' ' G' ' 13' ' ' LEU . 49.5 t -68.45 -44.38 83.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.523 178.245 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 19' ' ' CYS . . . . . 0.965 ' HB3' ' HB3' ' H' ' 22' ' ' ARG . 74.5 m -66.92 -37.4 84.28 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.595 179.739 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.64 -108.01 2.53 Favored Glycine 0 N--CA 1.451 -0.351 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 21' ' ' GLU . . . . . 0.523 ' O ' ' HD2' ' F' ' 29' ' ' LYS . 54.2 mt-10 -96.45 51.1 1.17 Allowed 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 178.282 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 22' ' ' ARG . . . . . 0.965 ' HB3' ' HB3' ' H' ' 19' ' ' CYS . 73.7 ttt180 -139.41 133.04 30.48 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.846 -1.07 . . . . 0.0 108.928 -178.708 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 23' ' ' GLY . . . . . 0.545 ' HA2' ' HD2' ' F' ' 28' ' ' PRO . . . -84.62 170.9 46.73 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.644 -0.789 . . . . 0.0 113.159 -178.734 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 24' ' ' PHE . . . . . 0.72 ' CE1' ' HB3' ' H' ' 16' ' ' TYR . 11.7 p90 -155.07 169.92 23.0 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-O 121.104 0.478 . . . . 0.0 110.41 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 25' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -116.09 132.51 56.64 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.348 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 26' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -129.3 119.53 24.1 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.119 0.485 . . . . 0.0 111.013 -179.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 27' ' ' THR . . . . . . . . . . . . . 7.1 p -123.64 101.61 36.54 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.445 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 28' ' ' PRO . . . . . 0.536 ' HD2' ' HA2' ' F' ' 23' ' ' GLY . 82.7 Cg_endo -78.79 50.63 3.51 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.759 2.306 . . . . 0.0 111.825 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 29' ' ' LYS . . . . . 0.494 ' HD2' ' O ' ' F' ' 21' ' ' GLU . 62.7 tttm -153.45 90.43 1.41 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.88 -179.476 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 30' ' ' THR . . . . . . . . . . . . . 6.2 m . . . . . 0 C--O 1.252 1.21 0 CA-C-O 118.106 -0.949 . . . . 0.0 109.998 -178.878 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' I' I ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.691 0 N-CA-C 112.232 -0.347 . . . . 0.0 112.232 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' I' I ' 2' ' ' ILE . . . . . 0.438 HG21 ' H ' ' I' ' 3' ' ' VAL . 7.5 tt -179.91 -40.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-O 121.203 0.525 . . . . 0.0 110.108 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 3' ' ' VAL . . . . . 0.585 HG23 ' HG3' ' J' ' 4' ' ' GLN . 99.6 t -59.34 -34.53 54.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.499 -179.667 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 4' ' ' GLU . . . . . 0.424 ' CD ' ' H ' ' I' ' 4' ' ' GLU . 2.5 mp0 -57.34 -22.87 45.26 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 -178.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 5' ' ' GLN . . . . . 0.465 ' HG3' ' SG ' ' I' ' 11' ' ' CYS . 14.7 pt20 -124.77 -38.98 2.31 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -179.029 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 6' ' ' CYS . . . . . . . . . . . . . 70.8 m -78.12 -24.57 47.41 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 112.335 0.495 . . . . 0.0 112.335 -178.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 7' ' ' CYS . . . . . 0.62 ' HB2' HD12 ' J' ' 11' ' ' LEU . 41.3 t -98.92 -5.8 30.06 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.929 0.395 . . . . 0.0 111.162 -179.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 8' ' ' THR . . . . . . . . . . . . . 2.4 p -91.39 -62.1 1.51 Allowed 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.959 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 9' ' ' SER . . . . . 0.486 ' O ' ' HB ' ' I' ' 10' ' ' ILE . 20.5 p -129.65 16.04 5.9 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -179.554 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 10' ' ' ILE . . . . . 0.663 HD13 ' HB ' ' B' ' 2' ' ' VAL . 2.2 mp 73.28 136.4 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 CA-C-O 121.627 0.727 . . . . 0.0 111.51 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 11' ' ' CYS . . . . . 0.465 ' SG ' ' HG3' ' I' ' 5' ' ' GLN . 92.3 m -92.06 158.69 16.08 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.844 179.269 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 12' ' ' SER . . . . . . . . . . . . . 30.0 t -75.22 166.92 22.87 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.145 179.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 13' ' ' LEU . . . . . 0.442 ' HG ' HG12 ' J' ' 18' ' ' VAL . 10.0 tt -57.48 -61.48 2.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.248 -179.269 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -64.86 -19.06 65.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.027 0.441 . . . . 0.0 111.186 -179.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -75.47 -32.14 60.5 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.083 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 16' ' ' LEU . . . . . 0.412 HD22 ' HB2' ' I' ' 11' ' ' CYS . 83.9 mt -70.89 -29.98 66.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.018 0.437 . . . . 0.0 110.184 178.674 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 17' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -63.67 -16.09 60.1 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.518 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 18' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -69.15 -18.44 63.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.109 0.481 . . . . 0.0 110.497 178.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 19' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -104.35 -2.68 25.16 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.14 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 20' ' ' CYS . . . . . 0.414 ' HA ' ' CB ' ' J' ' 24' ' ' PHE . 3.6 t -88.4 -176.59 5.39 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.783 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 21' ' ' ASN . . . . . . . . . . . . . 3.4 m120 . . . . . 0 C--O 1.244 0.812 0 CA-C-O 118.605 -0.712 . . . . 0.0 110.644 179.868 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' J' J ' 1' ' ' PHE . . . . . 0.609 ' O ' HG21 ' J' ' 2' ' ' VAL . 49.1 t80 . . . . . 0 N--CA 1.481 1.102 0 CA-C-O 120.339 0.114 . . . . 0.0 110.764 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 2' ' ' VAL . . . . . 0.689 ' HB ' HD13 ' E' ' 10' ' ' ILE . 11.1 m 47.92 -159.56 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 124.655 1.182 . . . . 0.0 112.579 -179.61 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 3' ' ' ASN . . . . . 0.453 ' CG ' ' H ' ' J' ' 4' ' ' GLN . 34.0 t30 -150.35 -167.98 2.97 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 122.155 -0.341 . . . . 0.0 111.084 -178.124 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 4' ' ' GLN . . . . . 0.585 ' HG3' HG23 ' I' ' 3' ' ' VAL . 29.6 tt0 -48.34 -36.65 14.84 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 124.061 0.944 . . . . 0.0 112.231 179.759 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 5' ' ' HIS . . . . . 0.414 ' NE2' ' HG ' ' L' ' 17' ' ' LEU . 56.0 t60 -58.65 -17.89 26.11 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -178.546 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 6' ' ' LEU . . . . . 0.595 HD23 ' C4 ' ' E' ' 22' ' ' IPH . 24.4 mt -120.37 -19.9 7.44 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.297 0.57 . . . . 0.0 110.729 179.26 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 7' ' ' CYS . . . . . 0.441 ' O ' ' HG ' ' J' ' 11' ' ' LEU . 40.0 t -76.02 -45.09 36.25 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.578 179.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 8' ' ' GLY . . . . . 0.47 ' HA2' ' HG ' ' J' ' 11' ' ' LEU . . . -60.42 -27.58 65.93 Favored Glycine 0 N--CA 1.449 -0.478 0 CA-C-N 115.927 -0.579 . . . . 0.0 112.728 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 9' ' ' SER . . . . . 0.419 ' O ' ' HG2' ' L' ' 13' ' ' GLU . 7.0 m -57.43 -27.35 62.33 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 122.961 0.504 . . . . 0.0 111.291 -179.717 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 10' ' ' HIS . . . . . 0.614 ' HA ' ' HG3' ' J' ' 13' ' ' GLU . 94.6 m-70 -104.68 -12.31 16.44 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.414 -178.553 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 11' ' ' LEU . . . . . 0.815 ' HA ' ' H5 ' ' I' ' 22' ' ' IPH . 46.8 mt -73.73 -38.77 64.67 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 177.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 12' ' ' VAL . . . . . 1.026 HG22 HG22 ' L' ' 12' ' ' VAL . 0.7 OUTLIER -67.12 -30.48 49.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.056 -0.975 . . . . 0.0 112.011 179.794 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' J' J ' 13' ' ' GLU . . . . . 0.614 ' HG3' ' HA ' ' J' ' 10' ' ' HIS . 25.4 mt-10 -57.33 -55.04 39.86 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.32 -32.68 71.95 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.083 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 15' ' ' LEU . . . . . 0.528 ' HB2' ' HA ' ' J' ' 12' ' ' VAL . 2.5 mt -52.76 -62.86 1.37 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.949 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 16' ' ' TYR . . . . . 0.711 ' HB3' ' CE1' ' J' ' 24' ' ' PHE . 3.2 p90 -76.23 -16.45 59.82 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.153 -0.619 . . . . 0.0 111.009 -179.211 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 17' ' ' LEU . . . . . 0.501 HD13 ' H3 ' ' C' ' 22' ' ' IPH . 7.9 tt -68.81 -40.06 79.72 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 178.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 18' ' ' VAL . . . . . 0.442 HG12 ' HG ' ' I' ' 13' ' ' LEU . 55.6 t -67.86 -43.62 85.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.549 178.24 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 19' ' ' CYS . . . . . 0.951 ' HB3' ' HB3' ' J' ' 22' ' ' ARG . 73.6 m -67.58 -38.62 84.32 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.304 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.09 -108.53 2.7 Favored Glycine 0 N--CA 1.451 -0.352 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 -179.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 21' ' ' GLU . . . . . 0.482 ' O ' ' HD2' ' L' ' 29' ' ' LYS . 53.8 mt-10 -95.94 52.24 1.3 Allowed 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 178.05 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 22' ' ' ARG . . . . . 0.951 ' HB3' ' HB3' ' J' ' 19' ' ' CYS . 73.7 ttt180 -141.13 132.92 27.39 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.975 -1.012 . . . . 0.0 109.103 -178.375 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 23' ' ' GLY . . . . . 0.557 ' HA2' ' HD2' ' L' ' 28' ' ' PRO . . . -84.56 171.01 46.99 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.82 -0.705 . . . . 0.0 113.325 -178.632 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 24' ' ' PHE . . . . . 0.711 ' CE1' ' HB3' ' J' ' 16' ' ' TYR . 11.9 p90 -155.17 169.9 23.08 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-O 121.067 0.461 . . . . 0.0 110.502 179.622 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 25' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -116.12 132.68 56.59 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.381 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 26' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -129.87 119.27 23.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.215 0.531 . . . . 0.0 111.11 -179.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 27' ' ' THR . . . . . . . . . . . . . 7.8 p -123.33 101.35 37.85 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.548 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 28' ' ' PRO . . . . . 0.541 ' HD2' ' HA2' ' L' ' 23' ' ' GLY . 88.1 Cg_endo -78.85 51.51 3.86 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.804 2.336 . . . . 0.0 111.737 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 29' ' ' LYS . . . . . 0.424 ' HD2' ' O ' ' L' ' 21' ' ' GLU . 63.8 tttm -153.88 90.51 1.38 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.658 -179.472 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 30' ' ' THR . . . . . . . . . . . . . 7.3 m . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.428 -0.796 . . . . 0.0 109.882 -178.534 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.249 0 N-CA-C 112.178 -0.369 . . . . 0.0 112.178 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' K' K ' 2' ' ' ILE . . . . . 0.418 HG21 ' H ' ' K' ' 3' ' ' VAL . 8.3 tt -179.45 -40.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 121.332 0.586 . . . . 0.0 110.373 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' K' K ' 3' ' ' VAL . . . . . 0.553 HG23 ' HG3' ' L' ' 4' ' ' GLN . 92.3 t -59.85 -34.05 54.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.469 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' K' K ' 4' ' ' GLU . . . . . 0.423 ' CD ' ' H ' ' K' ' 4' ' ' GLU . 2.0 mp0 -57.95 -23.1 52.19 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.983 0.734 . . . . 0.0 112.983 -179.028 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' K' K ' 5' ' ' GLN . . . . . 0.474 ' HG3' ' SG ' ' K' ' 11' ' ' CYS . 14.5 pt20 -124.24 -38.91 2.39 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.762 0.652 . . . . 0.0 112.762 -179.018 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' K' K ' 6' ' ' CYS . . . . . . . . . . . . . 73.0 m -78.69 -24.15 45.22 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -178.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 7' ' ' CYS . . . . . 0.628 ' HB2' HD12 ' L' ' 11' ' ' LEU . 41.8 t -99.04 -6.67 28.08 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.957 0.408 . . . . 0.0 111.218 -179.636 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' K' K ' 8' ' ' THR . . . . . . . . . . . . . 2.7 p -90.69 -61.56 1.65 Allowed 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.741 -0.384 . . . . 0.0 111.015 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 9' ' ' SER . . . . . 0.517 ' O ' ' HB ' ' K' ' 10' ' ' ILE . 11.1 p -129.65 14.33 5.94 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -179.298 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' K' K ' 10' ' ' ILE . . . . . 0.659 HD13 ' HB ' ' H' ' 2' ' ' VAL . 2.2 mp 74.82 137.06 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 CA-C-O 121.376 0.608 . . . . 0.0 111.314 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' K' K ' 11' ' ' CYS . . . . . 0.474 ' SG ' ' HG3' ' K' ' 5' ' ' GLN . 91.1 m -92.76 159.07 15.58 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.539 179.206 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' K' K ' 12' ' ' SER . . . . . . . . . . . . . 22.5 t -76.3 165.75 24.42 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 179.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 13' ' ' LEU . . . . . 0.444 ' HG ' HG12 ' L' ' 18' ' ' VAL . 10.1 tt -56.3 -60.86 2.91 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.541 -179.156 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -64.72 -20.53 66.39 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.184 0.516 . . . . 0.0 111.016 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -74.09 -32.72 63.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.346 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 16' ' ' LEU . . . . . 0.441 HD22 ' HB2' ' K' ' 11' ' ' CYS . 84.5 mt -70.68 -30.41 66.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.298 178.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' K' K ' 17' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -63.33 -16.57 60.81 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.457 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 18' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 -68.36 -19.2 64.62 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 120.938 0.399 . . . . 0.0 110.33 178.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 19' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -104.36 -0.43 28.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.228 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 20' ' ' CYS . . . . . 0.409 ' HA ' ' CB ' ' L' ' 24' ' ' PHE . 3.6 t -90.09 -175.53 4.58 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.61 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' K' K ' 21' ' ' ASN . . . . . . . . . . . . . 2.9 m120 . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.634 -0.698 . . . . 0.0 110.668 179.944 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' L' L ' 1' ' ' PHE . . . . . 0.599 ' O ' HG21 ' L' ' 2' ' ' VAL . 48.9 t80 . . . . . 0 N--CA 1.483 1.182 0 CA-C-O 120.469 0.176 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 2' ' ' VAL . . . . . 0.685 ' HB ' HD13 ' C' ' 10' ' ' ILE . 11.6 m 47.0 -159.56 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 124.545 1.138 . . . . 0.0 112.72 -179.465 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' L' L ' 3' ' ' ASN . . . . . 0.459 ' CG ' ' H ' ' L' ' 4' ' ' GLN . 29.3 t30 -149.99 -167.77 2.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.867 0.365 . . . . 0.0 111.197 -178.146 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' L' L ' 4' ' ' GLN . . . . . 0.553 ' HG3' HG23 ' K' ' 3' ' ' VAL . 29.7 tt0 -48.18 -37.83 16.71 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 123.936 0.895 . . . . 0.0 112.238 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' L' L ' 5' ' ' HIS . . . . . 0.444 ' NE2' ' HG ' ' J' ' 17' ' ' LEU . 54.7 t60 -57.16 -18.69 16.47 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 113.045 0.758 . . . . 0.0 113.045 -178.634 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' L' L ' 6' ' ' LEU . . . . . 0.589 HD23 ' C4 ' ' C' ' 22' ' ' IPH . 24.1 mt -119.87 -20.47 7.54 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.197 0.523 . . . . 0.0 110.826 179.273 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' L' L ' 7' ' ' CYS . . . . . 0.463 ' O ' ' HG ' ' L' ' 11' ' ' LEU . 37.8 t -75.99 -44.04 41.59 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.548 179.745 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' L' L ' 8' ' ' GLY . . . . . 0.475 ' HA2' ' HG ' ' L' ' 11' ' ' LEU . . . -61.61 -26.54 66.8 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 121.171 -0.538 . . . . 0.0 112.838 179.739 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' L' L ' 9' ' ' SER . . . . . 0.424 ' O ' ' HG2' ' J' ' 13' ' ' GLU . 6.6 m -58.23 -27.53 64.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.212 0.53 . . . . 0.0 111.304 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' L' L ' 10' ' ' HIS . . . . . 0.607 ' HA ' ' HG3' ' L' ' 13' ' ' GLU . 94.8 m-70 -104.17 -12.43 16.7 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.347 -178.566 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' L' L ' 11' ' ' LEU . . . . . 0.83 ' HA ' ' H5 ' ' K' ' 22' ' ' IPH . 47.5 mt -73.69 -38.15 64.98 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 178.045 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' L' L ' 12' ' ' VAL . . . . . 1.026 HG22 HG22 ' J' ' 12' ' ' VAL . 0.7 OUTLIER -68.16 -30.05 46.61 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-N 115.002 -0.999 . . . . 0.0 111.967 179.846 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' L' L ' 13' ' ' GLU . . . . . 0.607 ' HG3' ' HA ' ' L' ' 10' ' ' HIS . 25.9 mt-10 -57.33 -55.07 39.53 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 179.721 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' L' L ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.05 -32.54 72.1 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.057 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 15' ' ' LEU . . . . . 0.53 ' HB2' ' HA ' ' L' ' 12' ' ' VAL . 2.4 mt -53.18 -62.54 1.58 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.105 -0.498 . . . . 0.0 112.077 -179.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' L' L ' 16' ' ' TYR . . . . . 0.72 ' HB3' ' CE1' ' L' ' 24' ' ' PHE . 3.3 p90 -76.57 -16.33 59.63 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 119.967 -0.693 . . . . 0.0 110.989 -179.207 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' L' L ' 17' ' ' LEU . . . . . 0.509 HD13 ' H3 ' ' E' ' 22' ' ' IPH . 8.1 tt -68.73 -40.11 80.06 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 178.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' L' L ' 18' ' ' VAL . . . . . 0.444 HG12 ' HG ' ' K' ' 13' ' ' LEU . 50.0 t -67.97 -43.19 85.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.632 178.315 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' L' L ' 19' ' ' CYS . . . . . 0.981 ' HB3' ' HB3' ' L' ' 22' ' ' ARG . 73.3 m -68.36 -36.53 79.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.489 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' L' L ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.53 -109.58 2.82 Favored Glycine 0 N--CA 1.452 -0.297 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -179.189 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 21' ' ' GLU . . . . . 0.424 ' O ' ' HD2' ' J' ' 29' ' ' LYS . 56.0 mt-10 -95.55 54.49 1.58 Allowed 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 178.153 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' L' L ' 22' ' ' ARG . . . . . 0.981 ' HB3' ' HB3' ' L' ' 19' ' ' CYS . 74.6 ttt180 -143.13 131.31 21.93 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.877 -1.056 . . . . 0.0 108.963 -178.492 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' L' L ' 23' ' ' GLY . . . . . 0.541 ' HA2' ' HD2' ' J' ' 28' ' ' PRO . . . -83.4 170.24 48.48 Favored Glycine 0 CA--C 1.511 -0.187 0 C-N-CA 120.64 -0.79 . . . . 0.0 113.168 -178.689 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' L' L ' 24' ' ' PHE . . . . . 0.72 ' CE1' ' HB3' ' L' ' 16' ' ' TYR . 11.1 p90 -154.51 169.95 22.59 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-O 121.013 0.435 . . . . 0.0 110.463 179.639 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' L' L ' 25' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -116.14 132.67 56.59 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.267 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 26' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -129.85 118.59 21.98 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.069 0.462 . . . . 0.0 111.182 -179.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 27' ' ' THR . . . . . . . . . . . . . 6.2 p -122.85 101.76 38.92 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.313 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 28' ' ' PRO . . . . . 0.557 ' HD2' ' HA2' ' J' ' 23' ' ' GLY . 89.4 Cg_endo -78.68 51.36 3.76 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 122.796 2.331 . . . . 0.0 111.73 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' L' L ' 29' ' ' LYS . . . . . 0.482 ' HD2' ' O ' ' J' ' 21' ' ' GLU . 62.6 tttm -153.97 90.53 1.38 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.694 -179.405 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' L' L ' 30' ' ' THR . . . . . . . . . . . . . 8.3 m . . . . . 0 C--O 1.25 1.126 0 O-C-N 123.997 0.81 . . . . 0.0 110.26 -178.937 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' IPH . . . . . 0.795 ' H5 ' ' HA ' ' B' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 22' ' ' IPH . . . . . 0.82 ' H5 ' ' HA ' ' D' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 22' ' ' IPH . . . . . 0.82 ' H5 ' ' HA ' ' F' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 22' ' ' IPH . . . . . 0.796 ' H5 ' ' HA ' ' H' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 22' ' ' IPH . . . . . 0.815 ' H5 ' ' HA ' ' J' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 22' ' ' IPH . . . . . 0.83 ' H5 ' ' HA ' ' L' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.681 0 N-CA-C 111.709 -0.556 . . . . 0.0 111.709 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.405 ' HB ' ' CE2' ' A' ' 19' ' ' TYR . 3.5 tt -60.57 -50.51 80.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.861 0.362 . . . . 0.0 111.726 -179.375 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.62 HG23 ' CE1' ' B' ' 26' ' ' TYR . 18.6 t -69.4 -19.5 23.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.405 0.621 . . . . 0.0 110.443 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -80.88 -60.3 2.35 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.97 179.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -58.87 -52.77 64.32 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.61 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 83.3 m -69.2 -2.04 9.45 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 113.65 0.982 . . . . 0.0 113.65 -178.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 25.1 t -117.64 -28.55 5.99 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.257 -0.577 . . . . 0.0 110.965 179.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.53 ' O ' HG23 ' F' ' 2' ' ' VAL . 26.8 p -82.94 -23.34 33.52 Favored 'General case' 0 C--N 1.328 -0.33 0 O-C-N 122.281 -0.262 . . . . 0.0 111.082 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.917 ' HA ' HG13 ' F' ' 2' ' ' VAL . 18.5 m -146.72 -5.62 0.54 Allowed 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.977 -0.289 . . . . 0.0 111.586 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.784 HD12 ' HB ' ' F' ' 2' ' ' VAL . 1.9 mp 67.36 135.23 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 CA-C-O 121.599 0.714 . . . . 0.0 111.313 179.483 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 57.6 m -97.37 154.09 17.67 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.397 -178.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.9 m -88.77 178.73 6.38 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.507 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.681 HD13 HG11 ' B' ' 18' ' ' VAL . 59.9 tp -51.17 -60.07 3.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.382 -179.164 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -64.75 -33.99 77.28 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -178.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -60.9 -45.36 94.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.134 179.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.798 HD21 HD22 ' B' ' 15' ' ' LEU . 88.2 mt -66.14 -37.48 85.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.743 -179.513 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.554 ' HA ' ' SG ' ' A' ' 20' ' ' CYS . 37.2 tt0 -59.35 -21.4 59.76 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 120.932 0.396 . . . . 0.0 111.679 -179.099 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -70.25 -12.39 61.56 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.2 179.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.405 ' CE2' ' HB ' ' A' ' 2' ' ' ILE . 83.2 m-85 -107.07 6.44 28.94 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -178.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.554 ' SG ' ' HA ' ' A' ' 17' ' ' GLU . 63.8 m -71.29 140.81 50.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.007 0.432 . . . . 0.0 110.045 179.258 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 . . . . . 0 C--O 1.251 1.132 0 CA-C-O 118.429 -0.796 . . . . 0.0 110.097 -179.745 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.482 1.16 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . 0.885 HG13 ' HA ' ' I' ' 9' ' ' SER . 20.7 m -91.69 88.88 2.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 121.852 0.834 . . . . 0.0 110.537 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -171.32 -43.09 0.02 OUTLIER 'General case' 0 C--O 1.219 -0.548 0 CA-C-N 115.029 -0.987 . . . . 0.0 108.559 -179.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . 0.486 ' HA ' ' HB3' ' B' ' 7' ' ' CYS . 52.6 tt0 -55.61 -36.1 66.58 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.653 179.072 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -64.91 -20.85 66.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.505 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 33.9 mt -105.75 -23.77 12.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.655 0.741 . . . . 0.0 110.106 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . 0.535 ' SG ' HD23 ' B' ' 11' ' ' LEU . 0.0 OUTLIER -79.5 -44.93 20.3 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 114.805 -1.089 . . . . 0.0 111.102 -178.891 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . 0.616 ' HA2' ' HG ' ' B' ' 11' ' ' LEU . . . -58.1 -28.28 61.02 Favored Glycine 0 N--CA 1.452 -0.265 0 CA-C-N 115.988 -0.551 . . . . 0.0 114.125 -179.318 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' SER . . . . . 0.542 ' HB2' ' HG2' ' D' ' 13' ' ' GLU . 13.9 p -67.42 -12.88 61.34 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 117.005 0.402 . . . . 0.0 111.426 -179.559 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -109.77 -18.14 13.51 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.829 -0.348 . . . . 0.0 111.413 -179.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.616 ' HG ' ' HA2' ' B' ' 8' ' ' GLY . 3.0 mt -72.55 -32.91 66.44 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 178.101 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.699 HG22 HG22 ' D' ' 12' ' ' VAL . 2.6 m -65.41 -37.22 79.54 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.098 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.567 179.277 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.574 ' HA ' ' CE2' ' B' ' 16' ' ' TYR . 21.6 mt-10 -61.92 -41.12 97.56 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 179.612 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . 0.607 ' HB3' HD23 ' H' ' 17' ' ' LEU . . . -73.07 -33.36 65.6 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.639 178.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.798 HD22 HD21 ' A' ' 16' ' ' LEU . 16.3 mt -57.79 -57.7 11.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.212 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . 0.672 ' HB2' ' HG3' ' D' ' 28' ' ' PRO . 3.8 p90 -63.47 -26.03 68.54 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.673 -179.155 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.593 HD23 ' HB3' ' H' ' 14' ' ' ALA . 49.0 tp -72.91 -45.67 56.85 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.175 179.474 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.681 HG11 HD13 ' A' ' 13' ' ' LEU . 42.4 t -65.07 -42.89 95.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.013 179.111 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . 0.726 ' HB3' ' HB2' ' B' ' 22' ' ' ARG . 79.8 m -67.62 -20.71 65.38 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.282 179.083 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.66 63.93 3.61 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.347 179.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 72.65 -2.56 2.62 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 123.454 0.702 . . . . 0.0 111.751 -179.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . 0.726 ' HB2' ' HB3' ' B' ' 19' ' ' CYS . 75.9 mtm180 -79.32 147.46 32.44 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 177.239 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . 0.75 ' HA2' ' HD2' ' D' ' 28' ' ' PRO . . . -75.13 -178.84 42.68 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.338 -0.934 . . . . 0.0 112.742 -179.402 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . 0.542 ' HE2' ' HB3' ' B' ' 16' ' ' TYR . 23.3 p90 -167.35 166.48 14.54 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 179.688 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 11.1 p90 -107.92 126.8 53.12 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 178.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.62 ' CE1' HG23 ' A' ' 3' ' ' VAL . 83.6 t80 -119.63 110.07 16.42 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.937 0.399 . . . . 0.0 110.819 -179.21 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' THR . . . . . 0.601 ' O ' HG22 ' A' ' 3' ' ' VAL . 5.3 p -118.63 96.17 49.69 Favored Pre-proline 0 C--N 1.316 -0.851 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.677 179.309 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . 0.746 ' HD2' ' HA2' ' D' ' 23' ' ' GLY . 42.2 Cg_endo -68.72 59.14 1.14 Allowed 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 123.215 2.61 . . . . 0.0 112.92 -179.023 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.566 ' HG2' ' H ' ' B' ' 30' ' ' THR . 66.8 tttt -158.73 -162.63 1.12 Allowed 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' THR . . . . . 0.566 ' H ' ' HG2' ' B' ' 29' ' ' LYS . 13.2 t . . . . . 0 C--O 1.252 1.187 0 CA-C-O 117.838 -1.077 . . . . 0.0 108.683 178.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.013 0 N-CA-C 112.04 -0.424 . . . . 0.0 112.04 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 3.6 tt -60.4 -50.22 81.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 3' ' ' VAL . . . . . 0.625 HG23 ' CE1' ' D' ' 26' ' ' TYR . 19.9 t -69.36 -20.2 23.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.621 0.724 . . . . 0.0 110.704 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -80.51 -60.72 2.21 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.084 179.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -58.62 -52.88 63.78 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.706 -0.679 . . . . 0.0 112.434 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 78.8 m -68.62 -2.05 8.18 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.661 0.985 . . . . 0.0 113.661 -178.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 7' ' ' CYS . . . . . 0.412 ' HB2' HD12 ' D' ' 11' ' ' LEU . 26.4 t -117.71 -28.82 5.89 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.108 -0.637 . . . . 0.0 111.029 179.391 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 8' ' ' THR . . . . . 0.51 ' O ' HG23 ' L' ' 2' ' ' VAL . 28.6 p -82.49 -22.52 35.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.74 0.305 . . . . 0.0 111.314 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 9' ' ' SER . . . . . 0.928 ' HA ' HG13 ' L' ' 2' ' ' VAL . 30.6 m -147.9 -6.09 0.45 Allowed 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.608 -179.776 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . 0.789 HD12 ' HB ' ' L' ' 2' ' ' VAL . 1.9 mp 67.92 135.03 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 CA-C-O 121.554 0.692 . . . . 0.0 111.367 179.071 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 56.8 m -96.79 154.53 17.23 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.383 -178.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 40.9 m -89.14 179.29 6.17 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.477 179.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 13' ' ' LEU . . . . . 0.686 HD13 HG11 ' D' ' 18' ' ' VAL . 59.9 tp -51.72 -59.38 4.36 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 112.513 0.561 . . . . 0.0 112.513 -179.158 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -65.58 -32.7 74.42 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 111.887 0.328 . . . . 0.0 111.887 -178.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -62.11 -44.91 95.62 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.777 0.323 . . . . 0.0 111.166 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 16' ' ' LEU . . . . . 0.789 HD21 HD22 ' D' ' 15' ' ' LEU . 88.9 mt -66.75 -36.5 82.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.857 -179.309 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 17' ' ' GLU . . . . . 0.533 ' HA ' ' SG ' ' C' ' 20' ' ' CYS . 36.0 tt0 -59.98 -21.51 61.35 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.547 -179.256 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -70.68 -11.47 60.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.156 179.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -107.91 7.22 27.92 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -179.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 20' ' ' CYS . . . . . 0.533 ' SG ' ' HA ' ' C' ' 17' ' ' GLU . 64.9 m -71.79 142.59 49.69 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.805 -0.442 . . . . 0.0 109.805 179.074 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.311 -0.852 . . . . 0.0 110.011 -179.868 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.479 0.989 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 2' ' ' VAL . . . . . 0.894 HG13 ' HA ' ' G' ' 9' ' ' SER . 22.8 m -91.94 88.24 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.89 0.852 . . . . 0.0 110.759 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 3' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -170.86 -43.45 0.02 OUTLIER 'General case' 0 C--O 1.219 -0.523 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 4' ' ' GLN . . . . . 0.497 ' HA ' ' HB3' ' D' ' 7' ' ' CYS . 51.3 tt0 -55.12 -35.77 65.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.722 179.014 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 5' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -65.33 -19.96 66.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.448 179.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 35.9 mt -106.35 -24.47 12.25 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.637 0.732 . . . . 0.0 109.919 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 7' ' ' CYS . . . . . 0.535 ' SG ' HD23 ' D' ' 11' ' ' LEU . 0.0 OUTLIER -78.63 -44.24 24.36 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 114.86 -1.063 . . . . 0.0 111.297 -179.042 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 8' ' ' GLY . . . . . 0.598 ' HA2' ' HG ' ' D' ' 11' ' ' LEU . . . -58.68 -28.54 62.94 Favored Glycine 0 N--CA 1.451 -0.305 0 CA-C-N 115.911 -0.586 . . . . 0.0 114.076 -179.264 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 9' ' ' SER . . . . . 0.534 ' HB2' ' HG2' ' B' ' 13' ' ' GLU . 13.0 p -67.32 -12.58 60.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.003 0.43 . . . . 0.0 111.625 -179.59 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 10' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -109.82 -18.72 13.36 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.784 -0.366 . . . . 0.0 111.389 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 11' ' ' LEU . . . . . 0.603 HD21 ' H2 ' ' C' ' 22' ' ' IPH . 3.1 mt -72.26 -32.68 66.88 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.315 -0.995 . . . . 0.0 108.315 178.089 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . 0.699 HG22 HG22 ' B' ' 12' ' ' VAL . 2.4 m -65.66 -37.26 79.56 Favored 'Isoleucine or valine' 0 C--O 1.231 0.091 0 CA-C-N 115.351 -0.841 . . . . 0.0 111.574 179.289 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 13' ' ' GLU . . . . . 0.585 ' HA ' ' CE2' ' D' ' 16' ' ' TYR . 21.5 mt-10 -61.85 -40.86 96.79 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 121.506 0.669 . . . . 0.0 109.239 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 14' ' ' ALA . . . . . 0.597 ' HB3' HD23 ' J' ' 17' ' ' LEU . . . -73.13 -33.28 65.43 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.364 -0.834 . . . . 0.0 110.707 178.767 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 15' ' ' LEU . . . . . 0.789 HD22 HD21 ' C' ' 16' ' ' LEU . 16.6 mt -58.18 -57.81 11.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.015 -0.538 . . . . 0.0 112.208 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 16' ' ' TYR . . . . . 0.649 ' HB2' ' HG3' ' B' ' 28' ' ' PRO . 4.2 p90 -63.45 -25.12 68.12 Favored 'General case' 0 C--O 1.235 0.294 0 C-N-CA 120.325 -0.55 . . . . 0.0 110.708 -178.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . 0.619 HD23 ' HB3' ' J' ' 14' ' ' ALA . 49.2 tp -73.45 -46.36 48.82 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.033 179.557 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . 0.686 HG11 HD13 ' C' ' 13' ' ' LEU . 43.0 t -64.44 -43.66 96.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.062 179.039 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 19' ' ' CYS . . . . . 0.731 ' HB3' ' HB2' ' D' ' 22' ' ' ARG . 79.0 m -66.82 -20.53 65.95 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.393 178.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.26 63.62 3.85 Favored Glycine 0 C--N 1.331 0.297 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.364 179.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 73.29 -3.74 2.38 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 123.475 0.71 . . . . 0.0 111.806 -179.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 22' ' ' ARG . . . . . 0.731 ' HB2' ' HB3' ' D' ' 19' ' ' CYS . 77.1 mtm180 -78.0 147.84 34.66 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 177.041 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 23' ' ' GLY . . . . . 0.746 ' HA2' ' HD2' ' B' ' 28' ' ' PRO . . . -75.73 -179.02 44.6 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.436 -0.888 . . . . 0.0 112.614 -179.183 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 24' ' ' PHE . . . . . 0.53 ' HE2' ' HB3' ' D' ' 16' ' ' TYR . 24.8 p90 -167.15 166.46 14.98 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 179.606 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 25' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -107.82 126.73 53.0 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 178.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 26' ' ' TYR . . . . . 0.625 ' CE1' HG23 ' C' ' 3' ' ' VAL . 83.3 t80 -119.54 110.36 16.8 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.113 0.482 . . . . 0.0 110.793 -179.274 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 27' ' ' THR . . . . . 0.602 ' O ' HG22 ' C' ' 3' ' ' VAL . 5.7 p -118.92 96.4 50.1 Favored Pre-proline 0 C--N 1.316 -0.854 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.521 179.312 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 28' ' ' PRO . . . . . 0.75 ' HD2' ' HA2' ' B' ' 23' ' ' GLY . 41.1 Cg_endo -68.66 58.34 1.08 Allowed 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 123.188 2.592 . . . . 0.0 112.871 -178.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 29' ' ' LYS . . . . . 0.563 ' HG2' ' H ' ' D' ' 30' ' ' THR . 68.2 tttt -159.4 -165.64 1.61 Allowed 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 107.71 -1.218 . . . . 0.0 107.71 -179.657 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 30' ' ' THR . . . . . 0.563 ' H ' ' HG2' ' D' ' 29' ' ' LYS . 14.6 t . . . . . 0 C--O 1.253 1.266 0 CA-C-O 118.043 -0.979 . . . . 0.0 108.706 178.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.632 0 N-CA-C 112.231 -0.348 . . . . 0.0 112.231 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' E' E ' 2' ' ' ILE . . . . . 0.416 ' HB ' ' CE2' ' E' ' 19' ' ' TYR . 3.3 tt -58.83 -49.69 82.05 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -179.049 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 3' ' ' VAL . . . . . 0.629 HG23 ' CE1' ' F' ' 26' ' ' TYR . 19.8 t -70.05 -19.93 22.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.201 0.524 . . . . 0.0 110.524 -179.524 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 4' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -81.49 -59.5 2.6 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.094 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -59.19 -53.15 61.56 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.808 -0.633 . . . . 0.0 112.319 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 6' ' ' CYS . . . . . 0.403 ' O ' ' HA ' ' E' ' 10' ' ' ILE . 81.0 m -68.39 -3.3 10.72 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 113.501 0.926 . . . . 0.0 113.501 -177.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 7' ' ' CYS . . . . . 0.418 ' HB2' HD12 ' F' ' 11' ' ' LEU . 25.4 t -116.63 -27.78 6.59 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.204 -0.598 . . . . 0.0 111.124 179.518 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 8' ' ' THR . . . . . 0.522 ' O ' HG23 ' J' ' 2' ' ' VAL . 30.7 p -83.62 -22.91 32.07 Favored 'General case' 0 C--N 1.331 -0.228 0 O-C-N 122.183 -0.323 . . . . 0.0 111.186 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 9' ' ' SER . . . . . 0.937 ' HA ' HG13 ' J' ' 2' ' ' VAL . 19.7 m -147.09 -6.05 0.5 Allowed 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 111.772 0.286 . . . . 0.0 111.772 -179.653 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 10' ' ' ILE . . . . . 0.78 HD12 ' HB ' ' J' ' 2' ' ' VAL . 1.9 mp 67.86 135.97 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.468 0 O-C-N 123.628 0.58 . . . . 0.0 111.291 179.237 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 11' ' ' CYS . . . . . . . . . . . . . 56.7 m -98.32 153.71 18.34 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.018 0.437 . . . . 0.0 111.442 -178.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 12' ' ' SER . . . . . . . . . . . . . 25.5 m -88.22 179.28 6.4 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.546 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 13' ' ' LEU . . . . . 0.703 HD13 HG11 ' F' ' 18' ' ' VAL . 59.8 tp -51.64 -59.56 4.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.87 -0.605 . . . . 0.0 112.469 -179.314 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -65.82 -31.96 73.21 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -178.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -62.89 -44.5 95.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.76 0.314 . . . . 0.0 110.932 179.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 16' ' ' LEU . . . . . 0.778 HD21 HD22 ' F' ' 15' ' ' LEU . 89.9 mt -66.81 -36.95 83.56 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.888 -179.596 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 17' ' ' GLU . . . . . 0.529 ' HA ' ' SG ' ' E' ' 20' ' ' CYS . 38.0 tt0 -59.53 -22.01 61.06 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 120.888 0.375 . . . . 0.0 111.561 -179.008 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 18' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -69.45 -13.52 62.4 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.643 0.259 . . . . 0.0 111.12 179.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 19' ' ' TYR . . . . . 0.416 ' CE2' ' HB ' ' E' ' 2' ' ' ILE . 82.1 m-85 -105.67 5.68 31.32 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -178.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 20' ' ' CYS . . . . . 0.529 ' SG ' ' HA ' ' E' ' 17' ' ' GLU . 64.1 m -70.34 142.11 52.2 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 178.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 21' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.494 -0.765 . . . . 0.0 110.15 -179.747 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' F' F ' 1' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.48 1.052 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 2' ' ' VAL . . . . . 0.917 HG13 ' HA ' ' A' ' 9' ' ' SER . 22.7 m -90.38 86.99 2.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.917 0.865 . . . . 0.0 110.86 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 3' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 -169.55 -43.44 0.02 OUTLIER 'General case' 0 C--O 1.218 -0.586 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -179.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 4' ' ' GLN . . . . . 0.478 ' HA ' ' HB3' ' F' ' 7' ' ' CYS . 51.6 tt0 -55.41 -35.57 65.5 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.908 179.222 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 5' ' ' HIS . . . . . . . . . . . . . 75.5 t60 -65.27 -20.36 66.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.419 179.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 6' ' ' LEU . . . . . . . . . . . . . 35.5 mt -105.91 -24.89 12.34 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.634 0.73 . . . . 0.0 109.993 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 7' ' ' CYS . . . . . 0.527 ' SG ' HD23 ' F' ' 11' ' ' LEU . 0.0 OUTLIER -78.37 -44.66 24.46 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 114.742 -1.117 . . . . 0.0 111.276 -178.935 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' F' F ' 8' ' ' GLY . . . . . 0.594 ' HA2' ' HG ' ' F' ' 11' ' ' LEU . . . -58.25 -28.23 61.35 Favored Glycine 0 N--CA 1.45 -0.409 0 CA-C-N 115.967 -0.561 . . . . 0.0 114.069 -179.313 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 9' ' ' SER . . . . . 0.514 ' HB2' ' HG2' ' H' ' 13' ' ' GLU . 14.2 p -67.72 -12.39 60.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.022 0.439 . . . . 0.0 111.552 -179.471 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 10' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -109.75 -18.79 13.36 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.285 -179.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 11' ' ' LEU . . . . . 0.6 HD21 ' H2 ' ' E' ' 22' ' ' IPH . 3.0 mt -72.42 -32.58 66.46 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 178.286 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 12' ' ' VAL . . . . . 0.697 HG22 HG22 ' H' ' 12' ' ' VAL . 2.6 m -65.54 -37.26 79.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.499 179.154 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 13' ' ' GLU . . . . . 0.575 ' HA ' ' CE2' ' F' ' 16' ' ' TYR . 21.3 mt-10 -61.94 -40.73 96.54 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 121.506 0.669 . . . . 0.0 109.388 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 14' ' ' ALA . . . . . 0.591 ' HB3' HD23 ' L' ' 17' ' ' LEU . . . -73.53 -33.07 64.55 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.492 178.798 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 15' ' ' LEU . . . . . 0.778 HD22 HD21 ' E' ' 16' ' ' LEU . 16.0 mt -58.38 -57.47 12.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.072 -0.513 . . . . 0.0 112.154 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 16' ' ' TYR . . . . . 0.663 ' HB2' ' HG3' ' H' ' 28' ' ' PRO . 3.9 p90 -63.91 -24.97 67.94 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 120.437 -0.505 . . . . 0.0 110.761 -178.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 17' ' ' LEU . . . . . 0.614 HD23 ' HB3' ' L' ' 14' ' ' ALA . 50.8 tp -73.76 -46.16 47.47 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.874 179.561 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . 0.703 HG11 HD13 ' E' ' 13' ' ' LEU . 43.3 t -64.24 -44.34 97.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.903 179.041 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 19' ' ' CYS . . . . . 0.724 ' HB3' ' HB2' ' F' ' 22' ' ' ARG . 84.1 m -66.27 -20.53 66.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.393 179.046 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 20' ' ' GLY . . . . . 0.406 ' O ' ' HB2' ' F' ' 21' ' ' GLU . . . 66.58 62.14 4.8 Favored Glycine 0 C--N 1.33 0.205 0 C-N-CA 121.014 -0.612 . . . . 0.0 112.563 179.108 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 21' ' ' GLU . . . . . 0.406 ' HB2' ' O ' ' F' ' 20' ' ' GLY . 68.9 mt-10 75.17 -4.39 2.39 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.68 0.792 . . . . 0.0 111.583 -179.419 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 22' ' ' ARG . . . . . 0.724 ' HB2' ' HB3' ' F' ' 19' ' ' CYS . 76.5 mtm180 -77.41 147.97 35.74 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 177.233 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 23' ' ' GLY . . . . . 0.735 ' HA2' ' HD2' ' H' ' 28' ' ' PRO . . . -76.46 179.93 48.01 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.424 -0.893 . . . . 0.0 112.517 -179.132 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 24' ' ' PHE . . . . . 0.546 ' HE2' ' HB3' ' F' ' 16' ' ' TYR . 24.6 p90 -165.91 167.58 16.59 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 179.48 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 25' ' ' PHE . . . . . . . . . . . . . 11.1 p90 -108.92 126.62 53.27 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 178.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 26' ' ' TYR . . . . . 0.629 ' CE1' HG23 ' E' ' 3' ' ' VAL . 83.7 t80 -119.36 110.5 17.03 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.889 0.376 . . . . 0.0 110.816 -179.094 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 27' ' ' THR . . . . . 0.59 ' O ' HG22 ' E' ' 3' ' ' VAL . 6.2 p -119.09 96.27 49.98 Favored Pre-proline 0 C--N 1.316 -0.883 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 179.165 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 28' ' ' PRO . . . . . 0.724 ' HD2' ' HA2' ' H' ' 23' ' ' GLY . 42.0 Cg_endo -68.48 58.46 1.03 Allowed 'Trans proline' 0 C--N 1.352 0.743 0 C-N-CA 123.346 2.698 . . . . 0.0 112.783 -178.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 29' ' ' LYS . . . . . 0.567 ' HG2' ' H ' ' F' ' 30' ' ' THR . 66.5 tttt -158.62 -163.66 1.3 Allowed 'General case' 0 N--CA 1.444 -0.756 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 -179.743 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 30' ' ' THR . . . . . 0.567 ' H ' ' HG2' ' F' ' 29' ' ' LYS . 13.3 t . . . . . 0 C--O 1.25 1.129 0 CA-C-O 118.141 -0.933 . . . . 0.0 109.185 179.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.232 0 N-CA-C 111.735 -0.546 . . . . 0.0 111.735 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' G' G ' 2' ' ' ILE . . . . . 0.404 HG22 HG21 ' G' ' 3' ' ' VAL . 3.7 tt -58.96 -50.6 79.07 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 3' ' ' VAL . . . . . 0.614 HG23 ' CE1' ' H' ' 26' ' ' TYR . 18.7 t -69.43 -20.21 23.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.463 0.649 . . . . 0.0 110.835 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 4' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -80.3 -61.08 2.09 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.008 179.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 5' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -57.87 -53.32 59.6 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.636 -0.711 . . . . 0.0 112.606 -179.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 6' ' ' CYS . . . . . . . . . . . . . 82.8 m -68.55 -2.72 9.49 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 -178.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 7' ' ' CYS . . . . . . . . . . . . . 24.8 t -116.88 -28.3 6.34 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.26 -0.576 . . . . 0.0 110.994 179.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 8' ' ' THR . . . . . 0.519 ' O ' HG23 ' D' ' 2' ' ' VAL . 31.2 p -82.82 -23.32 33.84 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.935 -0.306 . . . . 0.0 111.218 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 9' ' ' SER . . . . . 0.894 ' HA ' HG13 ' D' ' 2' ' ' VAL . 20.2 m -146.82 -7.03 0.5 Allowed 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.676 -179.626 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 10' ' ' ILE . . . . . 0.797 HD12 ' HB ' ' D' ' 2' ' ' VAL . 1.9 mp 68.44 133.94 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 CA-C-O 121.575 0.702 . . . . 0.0 111.443 179.277 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 11' ' ' CYS . . . . . . . . . . . . . 54.0 m -96.29 153.6 17.72 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.621 -178.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 12' ' ' SER . . . . . . . . . . . . . 19.9 m -89.0 178.09 6.49 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.447 179.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 13' ' ' LEU . . . . . 0.664 HD13 HG11 ' H' ' 18' ' ' VAL . 57.7 tp -50.2 -60.13 3.27 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 123.15 0.58 . . . . 0.0 112.542 -179.276 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -64.93 -32.29 73.93 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 -178.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -63.22 -44.53 95.03 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.77 0.319 . . . . 0.0 111.09 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 16' ' ' LEU . . . . . 0.799 HD21 HD22 ' H' ' 15' ' ' LEU . 89.1 mt -66.86 -35.95 81.21 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.882 -179.509 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 17' ' ' GLU . . . . . 0.54 ' HA ' ' SG ' ' G' ' 20' ' ' CYS . 37.1 tt0 -60.56 -21.19 62.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.966 0.412 . . . . 0.0 111.618 -179.136 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 18' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -71.11 -11.94 61.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.746 0.308 . . . . 0.0 111.244 179.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 19' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -106.99 7.31 29.8 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 -179.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 20' ' ' CYS . . . . . 0.54 ' SG ' ' HA ' ' G' ' 17' ' ' GLU . 67.1 m -71.61 143.61 49.75 Favored 'General case' 0 C--O 1.236 0.384 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 178.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 21' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.494 -0.765 . . . . 0.0 110.339 -179.52 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' H' H ' 1' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.478 0.966 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 2' ' ' VAL . . . . . 0.933 HG13 ' HA ' ' K' ' 9' ' ' SER . 21.0 m -90.61 88.33 2.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.69 0.757 . . . . 0.0 110.593 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 3' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -170.44 -43.98 0.02 OUTLIER 'General case' 0 C--O 1.218 -0.554 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 -179.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 4' ' ' GLN . . . . . 0.491 ' HA ' ' HB3' ' H' ' 7' ' ' CYS . 51.7 tt0 -55.11 -35.91 65.15 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.676 178.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 5' ' ' HIS . . . . . . . . . . . . . 76.4 t60 -65.48 -19.72 66.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.475 179.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 6' ' ' LEU . . . . . . . . . . . . . 35.5 mt -106.67 -23.75 12.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.602 0.715 . . . . 0.0 109.981 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 7' ' ' CYS . . . . . 0.535 ' SG ' HD23 ' H' ' 11' ' ' LEU . 0.0 OUTLIER -79.45 -44.6 21.02 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 114.87 -1.059 . . . . 0.0 111.229 -178.796 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' H' H ' 8' ' ' GLY . . . . . 0.585 ' HA2' ' HG ' ' H' ' 11' ' ' LEU . . . -58.32 -28.48 61.88 Favored Glycine 0 N--CA 1.451 -0.327 0 CA-C-N 116.049 -0.523 . . . . 0.0 114.141 -179.399 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 9' ' ' SER . . . . . 0.517 ' HB2' ' HG2' ' F' ' 13' ' ' GLU . 13.3 p -67.33 -12.45 60.2 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.945 0.402 . . . . 0.0 111.46 -179.382 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 10' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -109.89 -18.59 13.36 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.705 0.288 . . . . 0.0 111.454 -179.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 11' ' ' LEU . . . . . 0.593 HD21 ' H2 ' ' G' ' 22' ' ' IPH . 3.2 mt -72.64 -32.9 66.24 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 178.229 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 12' ' ' VAL . . . . . 0.697 HG22 HG22 ' F' ' 12' ' ' VAL . 2.4 m -65.24 -37.42 80.12 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.498 179.297 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 13' ' ' GLU . . . . . 0.58 ' HA ' ' CE2' ' H' ' 16' ' ' TYR . 20.9 mt-10 -61.74 -41.08 97.19 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.507 0.67 . . . . 0.0 109.376 179.567 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 14' ' ' ALA . . . . . 0.593 ' HB3' HD23 ' B' ' 17' ' ' LEU . . . -73.08 -33.56 65.7 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.545 178.722 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 15' ' ' LEU . . . . . 0.799 HD22 HD21 ' G' ' 16' ' ' LEU . 16.7 mt -57.95 -57.68 11.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.209 -179.63 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 16' ' ' TYR . . . . . 0.675 ' HB2' ' HG3' ' F' ' 28' ' ' PRO . 4.0 p90 -63.63 -25.46 68.23 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 120.467 -0.493 . . . . 0.0 110.527 -179.074 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 17' ' ' LEU . . . . . 0.607 HD23 ' HB3' ' B' ' 14' ' ' ALA . 50.4 tp -73.2 -45.98 53.15 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.894 -0.593 . . . . 0.0 109.918 179.554 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . 0.664 HG11 HD13 ' G' ' 13' ' ' LEU . 42.5 t -65.02 -42.97 96.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.043 179.119 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 19' ' ' CYS . . . . . 0.696 ' HB3' ' HB2' ' H' ' 22' ' ' ARG . 81.2 m -68.13 -18.36 64.61 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.277 179.131 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.48 63.65 4.14 Favored Glycine 0 C--N 1.331 0.261 0 C-N-CA 120.969 -0.634 . . . . 0.0 112.445 179.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 21' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 73.18 -2.99 2.56 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 123.424 0.69 . . . . 0.0 111.819 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 22' ' ' ARG . . . . . 0.696 ' HB2' ' HB3' ' H' ' 19' ' ' CYS . 76.6 mtm180 -78.85 148.24 32.89 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 107.842 -1.169 . . . . 0.0 107.842 177.057 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 23' ' ' GLY . . . . . 0.724 ' HA2' ' HD2' ' F' ' 28' ' ' PRO . . . -75.94 -178.67 44.58 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.227 -0.987 . . . . 0.0 112.804 -179.155 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 24' ' ' PHE . . . . . 0.535 ' HE2' ' HB3' ' H' ' 16' ' ' TYR . 24.6 p90 -167.28 167.37 14.13 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 179.512 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 25' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -109.07 126.65 53.39 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 178.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 26' ' ' TYR . . . . . 0.614 ' CE1' HG23 ' G' ' 3' ' ' VAL . 83.0 t80 -119.45 110.87 17.42 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.962 0.41 . . . . 0.0 110.821 -179.171 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 27' ' ' THR . . . . . 0.594 ' O ' HG22 ' G' ' 3' ' ' VAL . 3.3 p -119.54 95.83 49.43 Favored Pre-proline 0 C--N 1.316 -0.89 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.514 179.426 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 28' ' ' PRO . . . . . 0.735 ' HD2' ' HA2' ' F' ' 23' ' ' GLY . 38.5 Cg_endo -68.21 57.95 0.92 Allowed 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 123.354 2.703 . . . . 0.0 112.974 -178.705 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 29' ' ' LYS . . . . . 0.555 ' HG2' ' H ' ' H' ' 30' ' ' THR . 65.4 tttt -157.96 -163.58 1.35 Allowed 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.653 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 30' ' ' THR . . . . . 0.555 ' H ' ' HG2' ' H' ' 29' ' ' LYS . 13.2 t . . . . . 0 C--O 1.254 1.311 0 CA-C-O 118.077 -0.963 . . . . 0.0 108.852 178.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.753 0 N-CA-C 111.79 -0.524 . . . . 0.0 111.79 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' I' I ' 2' ' ' ILE . . . . . 0.414 HG22 HG21 ' I' ' 3' ' ' VAL . 3.8 tt -57.35 -50.8 75.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -179.48 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 3' ' ' VAL . . . . . 0.62 HG23 ' CE1' ' J' ' 26' ' ' TYR . 18.9 t -69.24 -19.95 23.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.463 0.649 . . . . 0.0 110.715 -179.646 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 4' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -80.75 -60.01 2.46 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.124 179.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 5' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -58.77 -53.41 58.63 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.649 -0.705 . . . . 0.0 112.577 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 6' ' ' CYS . . . . . 0.406 ' O ' ' HA ' ' I' ' 10' ' ' ILE . 79.7 m -68.13 -3.22 9.72 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 113.596 0.961 . . . . 0.0 113.596 -177.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 7' ' ' CYS . . . . . 0.414 ' HB2' HD12 ' J' ' 11' ' ' LEU . 25.5 t -116.57 -29.23 6.19 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.241 -0.584 . . . . 0.0 110.961 179.466 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 8' ' ' THR . . . . . 0.516 ' O ' HG23 ' B' ' 2' ' ' VAL . 27.7 p -82.32 -23.0 35.37 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.913 -0.315 . . . . 0.0 111.399 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 9' ' ' SER . . . . . 0.885 ' HA ' HG13 ' B' ' 2' ' ' VAL . 27.8 m -146.87 -6.64 0.5 Allowed 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.987 -0.285 . . . . 0.0 111.694 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 10' ' ' ILE . . . . . 0.78 HD12 ' HB ' ' B' ' 2' ' ' VAL . 1.9 mp 68.33 136.13 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 CA-C-O 121.501 0.667 . . . . 0.0 111.322 179.358 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 11' ' ' CYS . . . . . . . . . . . . . 57.8 m -97.8 154.84 17.35 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.43 -178.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 12' ' ' SER . . . . . . . . . . . . . 24.8 m -89.46 -179.71 5.88 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.295 179.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 13' ' ' LEU . . . . . 0.688 HD13 HG11 ' J' ' 18' ' ' VAL . 60.0 tp -52.83 -58.82 5.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.041 -0.527 . . . . 0.0 112.28 -178.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -65.65 -33.48 75.99 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -178.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -61.19 -44.96 96.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.72 0.295 . . . . 0.0 111.032 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 16' ' ' LEU . . . . . 0.785 HD21 HD22 ' J' ' 15' ' ' LEU . 89.8 mt -66.79 -37.02 83.74 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.983 -179.511 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 17' ' ' GLU . . . . . 0.549 ' HA ' ' SG ' ' I' ' 20' ' ' CYS . 37.8 tt0 -59.93 -20.67 58.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.927 0.394 . . . . 0.0 111.647 -179.14 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 18' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -70.81 -13.11 61.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.989 179.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 19' ' ' TYR . . . . . 0.405 ' CE2' ' HB ' ' I' ' 2' ' ' ILE . 81.9 m-85 -106.19 6.21 30.63 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.038 0.384 . . . . 0.0 112.038 -179.028 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 20' ' ' CYS . . . . . 0.549 ' SG ' ' HA ' ' I' ' 17' ' ' GLU . 65.0 m -70.72 142.89 51.44 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 179.217 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 21' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 . . . . . 0 C--O 1.246 0.9 0 CA-C-O 118.211 -0.9 . . . . 0.0 109.911 -179.883 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' J' J ' 1' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.48 1.063 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 2' ' ' VAL . . . . . 0.937 HG13 ' HA ' ' E' ' 9' ' ' SER . 19.7 m -92.08 86.02 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.913 0.863 . . . . 0.0 110.882 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 3' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -168.14 -43.57 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 -179.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 4' ' ' GLN . . . . . 0.508 ' HA ' ' HB3' ' J' ' 7' ' ' CYS . 52.2 tt0 -54.96 -36.42 65.3 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.677 179.038 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 5' ' ' HIS . . . . . . . . . . . . . 75.2 t60 -64.67 -20.19 66.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.552 179.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 6' ' ' LEU . . . . . . . . . . . . . 35.1 mt -106.3 -24.25 12.33 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.734 0.778 . . . . 0.0 109.974 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 7' ' ' CYS . . . . . 0.536 ' SG ' HD23 ' J' ' 11' ' ' LEU . 0.0 OUTLIER -78.96 -44.35 22.65 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.711 -1.131 . . . . 0.0 111.271 -178.925 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' J' J ' 8' ' ' GLY . . . . . 0.585 ' HA2' ' HG ' ' J' ' 11' ' ' LEU . . . -58.68 -28.55 62.96 Favored Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.919 -0.582 . . . . 0.0 113.922 -179.138 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 9' ' ' SER . . . . . 0.53 ' HB2' ' HG2' ' L' ' 13' ' ' GLU . 15.8 p -67.38 -12.82 61.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 117.063 0.431 . . . . 0.0 111.4 -179.279 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 10' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -109.69 -18.11 13.54 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.926 -0.309 . . . . 0.0 111.425 -179.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 11' ' ' LEU . . . . . 0.589 HD21 ' H2 ' ' I' ' 22' ' ' IPH . 3.3 mt -72.94 -32.56 65.35 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 178.2 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 12' ' ' VAL . . . . . 0.678 HG22 HG22 ' L' ' 12' ' ' VAL . 2.5 m -65.7 -37.12 79.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.444 179.127 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 13' ' ' GLU . . . . . 0.57 ' HA ' ' CE2' ' J' ' 16' ' ' TYR . 22.1 mt-10 -61.76 -41.21 97.39 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-O 121.464 0.649 . . . . 0.0 109.406 179.634 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 14' ' ' ALA . . . . . 0.619 ' HB3' HD23 ' D' ' 17' ' ' LEU . . . -73.11 -33.1 65.36 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.7 178.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 15' ' ' LEU . . . . . 0.785 HD22 HD21 ' I' ' 16' ' ' LEU . 16.6 mt -58.15 -57.5 12.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.023 -0.535 . . . . 0.0 112.055 -179.65 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 16' ' ' TYR . . . . . 0.663 ' HB2' ' HG3' ' L' ' 28' ' ' PRO . 3.8 p90 -63.69 -25.51 68.24 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-O 121.18 0.514 . . . . 0.0 110.643 -179.112 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 17' ' ' LEU . . . . . 0.597 HD23 ' HB3' ' D' ' 14' ' ' ALA . 49.6 tp -73.33 -46.46 49.27 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.924 179.463 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 18' ' ' VAL . . . . . 0.688 HG11 HD13 ' I' ' 13' ' ' LEU . 42.9 t -64.03 -44.15 97.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.021 179.067 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 19' ' ' CYS . . . . . 0.717 ' HB3' ' HB2' ' J' ' 22' ' ' ARG . 80.8 m -66.81 -19.1 65.68 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.48 179.004 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 20' ' ' GLY . . . . . 0.402 ' O ' ' HB2' ' J' ' 21' ' ' GLU . . . 64.83 64.05 3.8 Favored Glycine 0 C--N 1.33 0.206 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.481 179.351 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 21' ' ' GLU . . . . . 0.402 ' HB2' ' O ' ' J' ' 20' ' ' GLY . 76.0 mt-10 72.95 -3.57 2.38 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.205 0.602 . . . . 0.0 111.854 -179.374 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 22' ' ' ARG . . . . . 0.717 ' HB2' ' HB3' ' J' ' 19' ' ' CYS . 77.2 mtm180 -78.42 147.95 33.81 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 177.294 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 23' ' ' GLY . . . . . 0.756 ' HA2' ' HD2' ' L' ' 28' ' ' PRO . . . -75.76 -178.88 44.45 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.206 -0.997 . . . . 0.0 112.719 -179.191 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 24' ' ' PHE . . . . . 0.532 ' HE2' ' HB3' ' J' ' 16' ' ' TYR . 24.8 p90 -167.04 166.77 15.04 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 25' ' ' PHE . . . . . . . . . . . . . 11.0 p90 -108.38 126.24 52.65 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.387 -0.598 . . . . 0.0 109.387 178.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 26' ' ' TYR . . . . . 0.62 ' CE1' HG23 ' I' ' 3' ' ' VAL . 83.4 t80 -118.99 110.57 17.28 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.882 0.372 . . . . 0.0 110.81 -179.232 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 27' ' ' THR . . . . . 0.6 ' O ' HG22 ' I' ' 3' ' ' VAL . 4.5 p -119.21 96.0 49.7 Favored Pre-proline 0 C--N 1.316 -0.884 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 179.521 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 28' ' ' PRO . . . . . 0.756 ' HD2' ' HA2' ' L' ' 23' ' ' GLY . 39.3 Cg_endo -68.27 58.2 0.95 Allowed 'Trans proline' 0 C--N 1.353 0.797 0 C-N-CA 123.284 2.656 . . . . 0.0 112.85 -178.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 29' ' ' LYS . . . . . 0.525 ' HG2' ' H ' ' J' ' 30' ' ' THR . 63.6 tttt -157.82 -161.51 1.04 Allowed 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 30' ' ' THR . . . . . 0.525 ' H ' ' HG2' ' J' ' 29' ' ' LYS . 12.0 t . . . . . 0 C--O 1.254 1.328 0 CA-C-O 117.616 -1.183 . . . . 0.0 108.34 179.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.325 0 N-CA-C 111.76 -0.536 . . . . 0.0 111.76 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' K' K ' 2' ' ' ILE . . . . . 0.414 HG22 HG21 ' K' ' 3' ' ' VAL . 3.5 tt -61.03 -50.89 78.71 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 CA-C-N 116.97 0.385 . . . . 0.0 111.751 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' K' K ' 3' ' ' VAL . . . . . 0.614 HG23 ' CE1' ' L' ' 26' ' ' TYR . 19.1 t -68.93 -19.73 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.498 0.666 . . . . 0.0 110.753 -179.658 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' K' K ' 4' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -80.79 -60.46 2.3 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.064 179.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 5' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -58.54 -53.3 59.84 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.672 -0.695 . . . . 0.0 112.454 -179.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 6' ' ' CYS . . . . . . . . . . . . . 84.0 m -68.47 -2.98 9.85 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -178.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 7' ' ' CYS . . . . . . . . . . . . . 24.6 t -116.55 -29.19 6.21 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.14 -0.624 . . . . 0.0 111.019 179.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 8' ' ' THR . . . . . 0.506 ' O ' HG23 ' H' ' 2' ' ' VAL . 30.5 p -82.53 -22.34 35.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.748 0.308 . . . . 0.0 111.236 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' K' K ' 9' ' ' SER . . . . . 0.933 ' HA ' HG13 ' H' ' 2' ' ' VAL . 38.1 m -147.82 -5.36 0.47 Allowed 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.672 -0.411 . . . . 0.0 111.705 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' K' K ' 10' ' ' ILE . . . . . 0.814 HD12 ' HB ' ' H' ' 2' ' ' VAL . 1.9 mp 66.91 133.29 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 CA-C-O 121.58 0.705 . . . . 0.0 111.658 179.149 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' K' K ' 11' ' ' CYS . . . . . . . . . . . . . 55.9 m -95.36 153.87 17.47 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.615 -179.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 12' ' ' SER . . . . . . . . . . . . . 26.1 m -89.75 177.54 6.49 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.51 179.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 13' ' ' LEU . . . . . 0.668 HD13 HG11 ' L' ' 18' ' ' VAL . 59.0 tp -49.21 -60.94 2.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.899 -0.591 . . . . 0.0 112.587 -178.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -64.65 -32.18 73.73 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -178.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -63.1 -44.83 94.57 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.664 0.268 . . . . 0.0 111.084 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 16' ' ' LEU . . . . . 0.801 HD21 HD22 ' L' ' 15' ' ' LEU . 89.3 mt -66.15 -36.89 84.31 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.861 -179.547 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' K' K ' 17' ' ' GLU . . . . . 0.543 ' HA ' ' SG ' ' K' ' 20' ' ' CYS . 36.4 tt0 -59.83 -21.23 60.63 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.602 -179.086 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' K' K ' 18' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -70.66 -11.4 60.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.176 179.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 19' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -107.51 6.01 27.67 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -178.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 20' ' ' CYS . . . . . 0.543 ' SG ' ' HA ' ' K' ' 17' ' ' GLU . 65.1 m -70.72 142.23 51.48 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 179.261 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' K' K ' 21' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 . . . . . 0 C--O 1.246 0.898 0 CA-C-O 118.234 -0.888 . . . . 0.0 109.745 -179.902 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' L' L ' 1' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.481 1.095 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 2' ' ' VAL . . . . . 0.928 HG13 ' HA ' ' C' ' 9' ' ' SER . 20.9 m -90.88 87.07 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.797 0.808 . . . . 0.0 110.87 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' L' L ' 3' ' ' ASN . . . . . . . . . . . . . 30.3 t-20 -169.48 -43.49 0.02 OUTLIER 'General case' 0 CA--C 1.512 -0.487 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -179.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 4' ' ' GLN . . . . . 0.495 ' HA ' ' HB3' ' L' ' 7' ' ' CYS . 51.3 tt0 -55.71 -35.6 66.26 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.718 179.298 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' L' L ' 5' ' ' HIS . . . . . . . . . . . . . 75.2 t60 -65.1 -20.52 66.51 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.518 179.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 6' ' ' LEU . . . . . . . . . . . . . 36.0 mt -105.61 -24.92 12.46 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.696 0.76 . . . . 0.0 109.911 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 7' ' ' CYS . . . . . 0.537 ' SG ' HD23 ' L' ' 11' ' ' LEU . 0.0 OUTLIER -78.32 -44.64 24.69 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 114.725 -1.125 . . . . 0.0 111.297 -178.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' L' L ' 8' ' ' GLY . . . . . 0.606 ' HA2' ' HG ' ' L' ' 11' ' ' LEU . . . -58.15 -28.68 61.66 Favored Glycine 0 N--CA 1.45 -0.404 0 CA-C-N 116.036 -0.529 . . . . 0.0 114.121 -179.441 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' L' L ' 9' ' ' SER . . . . . 0.522 ' HB2' ' HG2' ' J' ' 13' ' ' GLU . 13.2 p -67.26 -12.63 60.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.923 0.392 . . . . 0.0 111.543 -179.43 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' L' L ' 10' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -109.68 -18.89 13.36 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.349 -179.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 11' ' ' LEU . . . . . 0.606 ' HG ' ' HA2' ' L' ' 8' ' ' GLY . 3.0 mt -72.31 -32.65 66.74 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 178.409 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' L' L ' 12' ' ' VAL . . . . . 0.678 HG22 HG22 ' J' ' 12' ' ' VAL . 2.5 m -65.59 -37.13 79.28 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-N 115.293 -0.867 . . . . 0.0 111.523 179.227 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' L' L ' 13' ' ' GLU . . . . . 0.585 ' HA ' ' CE2' ' L' ' 16' ' ' TYR . 21.9 mt-10 -61.95 -41.07 97.56 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 121.471 0.653 . . . . 0.0 109.292 179.607 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' L' L ' 14' ' ' ALA . . . . . 0.614 ' HB3' HD23 ' F' ' 17' ' ' LEU . . . -73.2 -33.2 65.24 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.586 178.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' L' L ' 15' ' ' LEU . . . . . 0.801 HD22 HD21 ' K' ' 16' ' ' LEU . 16.4 mt -58.16 -57.5 12.57 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.237 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' L' L ' 16' ' ' TYR . . . . . 0.651 ' HB2' ' HG3' ' J' ' 28' ' ' PRO . 4.2 p90 -63.59 -25.6 68.31 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 120.422 -0.511 . . . . 0.0 110.641 -179.034 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' L' L ' 17' ' ' LEU . . . . . 0.591 HD23 ' HB3' ' F' ' 14' ' ' ALA . 49.4 tp -72.97 -46.89 49.8 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.948 179.495 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' L' L ' 18' ' ' VAL . . . . . 0.668 HG11 HD13 ' K' ' 13' ' ' LEU . 42.6 t -63.81 -42.62 96.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.392 178.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' L' L ' 19' ' ' CYS . . . . . 0.731 ' HB3' ' HB2' ' L' ' 22' ' ' ARG . 80.7 m -68.52 -18.83 64.45 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.312 179.183 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' L' L ' 20' ' ' GLY . . . . . 0.424 ' O ' ' HB2' ' L' ' 21' ' ' GLU . . . 65.1 62.65 4.75 Favored Glycine 0 C--N 1.33 0.234 0 C-N-CA 121.041 -0.6 . . . . 0.0 112.536 179.129 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' L' L ' 21' ' ' GLU . . . . . 0.424 ' HB2' ' O ' ' L' ' 20' ' ' GLY . 81.3 mt-10 74.34 -3.87 2.45 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.576 0.751 . . . . 0.0 111.755 -179.359 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' L' L ' 22' ' ' ARG . . . . . 0.731 ' HB2' ' HB3' ' L' ' 19' ' ' CYS . 77.4 mtm180 -77.78 147.65 35.19 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 177.09 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' L' L ' 23' ' ' GLY . . . . . 0.756 ' HA2' ' HD2' ' J' ' 28' ' ' PRO . . . -76.02 -178.79 44.99 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.126 -1.035 . . . . 0.0 112.835 -179.113 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' L' L ' 24' ' ' PHE . . . . . 0.532 ' HE2' ' HB3' ' L' ' 16' ' ' TYR . 25.0 p90 -166.95 167.32 14.83 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 179.683 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' L' L ' 25' ' ' PHE . . . . . . . . . . . . . 11.1 p90 -108.82 126.03 52.6 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 178.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 26' ' ' TYR . . . . . 0.614 ' CE1' HG23 ' K' ' 3' ' ' VAL . 83.2 t80 -119.0 110.65 17.36 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.986 0.422 . . . . 0.0 110.845 -179.14 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' L' L ' 27' ' ' THR . . . . . 0.585 ' O ' HG22 ' K' ' 3' ' ' VAL . 5.1 p -118.96 95.82 49.64 Favored Pre-proline 0 C--N 1.315 -0.894 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.607 179.449 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' L' L ' 28' ' ' PRO . . . . . 0.756 ' HD2' ' HA2' ' J' ' 23' ' ' GLY . 41.6 Cg_endo -68.3 58.24 0.96 Allowed 'Trans proline' 0 C--N 1.353 0.781 0 C-N-CA 123.222 2.615 . . . . 0.0 113.027 -178.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' L' L ' 29' ' ' LYS . . . . . 0.545 ' HG2' ' H ' ' L' ' 30' ' ' THR . 66.6 tttt -159.56 -166.61 1.81 Allowed 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 -179.539 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' L' L ' 30' ' ' THR . . . . . 0.545 ' H ' ' HG2' ' L' ' 29' ' ' LYS . 14.5 t . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.324 -0.846 . . . . 0.0 109.309 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' IPH . . . . . 0.587 ' H2 ' HD21 ' B' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 22' ' ' IPH . . . . . 0.603 ' H2 ' HD21 ' D' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 22' ' ' IPH . . . . . 0.6 ' H2 ' HD21 ' F' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 22' ' ' IPH . . . . . 0.593 ' H2 ' HD21 ' H' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 22' ' ' IPH . . . . . 0.589 ' H2 ' HD21 ' J' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 22' ' ' IPH . . . . . 0.567 ' H2 ' HD21 ' L' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.459 ' O ' ' HG2' ' A' ' 5' ' ' GLN . . . . . . . . 0 N--CA 1.482 1.734 0 N-CA-C 112.144 -0.383 . . . . 0.0 112.144 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.479 ' CD1' HD13 ' B' ' 15' ' ' LEU . 10.5 tt -64.48 -41.75 93.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 120.704 0.288 . . . . 0.0 111.482 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.47 HG13 ' HG3' ' B' ' 4' ' ' GLN . 33.0 m -71.33 -16.14 19.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.307 0.575 . . . . 0.0 111.095 179.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -84.56 -30.35 25.13 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.1 -0.954 . . . . 0.0 112.232 -179.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.616 ' HG3' ' SG ' ' A' ' 11' ' ' CYS . 16.7 pt20 -112.99 -32.35 6.39 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 113.172 0.805 . . . . 0.0 113.172 -178.269 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 61.0 m -88.67 -36.58 16.14 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -178.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.595 ' HB2' HD12 ' B' ' 11' ' ' LEU . 43.3 t -83.29 -6.1 59.36 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.021 0.439 . . . . 0.0 111.41 -178.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.1 p -88.46 -56.48 3.29 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.3 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.411 ' O ' ' HB ' ' A' ' 10' ' ' ILE . 33.5 p -144.9 24.56 1.49 Allowed 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.461 -179.404 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.472 HD11 ' HB3' ' F' ' 3' ' ' ASN . 2.1 mp 71.53 138.38 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 CA-C-O 121.492 0.663 . . . . 0.0 111.439 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.616 ' SG ' ' HG3' ' A' ' 5' ' ' GLN . 91.5 m -94.32 156.0 16.73 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.611 179.23 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.4 m -71.92 163.27 28.14 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 178.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.914 HD13 HG12 ' B' ' 18' ' ' VAL . 23.9 tp -51.73 -51.33 56.95 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.215 0.531 . . . . 0.0 111.326 -179.614 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -62.43 -30.35 71.16 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.299 -0.864 . . . . 0.0 112.136 -178.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -70.74 -33.24 70.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.707 0.289 . . . . 0.0 111.276 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 94.6 mt -69.07 -29.19 67.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.929 0.395 . . . . 0.0 110.45 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -66.64 -17.54 64.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.093 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -68.3 -18.27 64.47 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.555 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -102.52 6.34 39.88 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.42 -178.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 2.3 m -72.08 155.34 40.4 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.464 0.65 . . . . 0.0 112.483 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 . . . . . 0 C--O 1.251 1.166 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.277 178.962 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . 0.544 ' O ' HG21 ' B' ' 2' ' ' VAL . 8.5 t80 . . . . . 0 N--CA 1.481 1.084 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . 0.544 HG21 ' O ' ' B' ' 1' ' ' PHE . 33.6 m 42.36 -146.15 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 C-N-CA 124.271 1.028 . . . . 0.0 113.252 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . 0.497 ' HB3' HD11 ' I' ' 10' ' ' ILE . 24.4 t-20 -157.6 176.27 12.84 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 -177.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . 0.773 ' HA ' ' HB3' ' B' ' 7' ' ' CYS . 0.1 OUTLIER -51.34 -27.88 10.85 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 123.445 0.698 . . . . 0.0 110.535 178.815 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 59.2 t60 -59.91 -14.99 18.08 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.29 179.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.692 HD22 ' H4 ' ' I' ' 22' ' ' IPH . 14.6 mt -124.46 -13.84 7.01 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.244 0.545 . . . . 0.0 110.098 178.167 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . 0.773 ' HB3' ' HA ' ' B' ' 4' ' ' GLN . 1.7 t -85.44 -42.27 14.64 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.38 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . 0.544 ' HA2' HD13 ' B' ' 11' ' ' LEU . . . -64.26 -25.58 69.88 Favored Glycine 0 N--CA 1.451 -0.338 0 CA-C-N 115.944 -0.571 . . . . 0.0 114.079 -178.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' SER . . . . . 0.697 ' HB2' ' HG2' ' D' ' 13' ' ' GLU . 78.4 p -64.18 -17.88 63.95 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.064 0.459 . . . . 0.0 111.321 -179.193 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . 0.701 ' HA ' ' HG3' ' B' ' 13' ' ' GLU . 92.5 m-70 -105.58 -19.57 13.73 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.383 -179.713 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.697 ' HA ' ' H5 ' ' A' ' 22' ' ' IPH . 54.9 mt -68.89 -38.94 79.96 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 177.551 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.658 HG22 HG22 ' D' ' 12' ' ' VAL . 15.3 m -68.9 -27.68 36.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 CA-C-N 114.683 -1.144 . . . . 0.0 112.385 -179.736 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.713 ' HG2' ' HB2' ' D' ' 9' ' ' SER . 24.4 mt-10 -59.25 -49.57 77.33 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.447 0.641 . . . . 0.0 109.558 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.2 -30.0 63.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.548 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.631 ' HB2' ' HA ' ' B' ' 12' ' ' VAL . 4.5 mt -55.22 -61.5 2.28 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.202 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . 0.906 ' HB2' ' HG3' ' D' ' 28' ' ' PRO . 3.3 p90 -72.13 -19.91 61.71 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.179 -0.609 . . . . 0.0 111.32 -178.691 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.744 HD13 ' H3 ' ' G' ' 22' ' ' IPH . 9.5 tt -66.77 -45.43 78.53 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 178.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.914 HG12 HD13 ' A' ' 13' ' ' LEU . 69.3 t -73.87 -40.48 53.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.467 178.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 2.3 t -64.97 -32.27 73.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.185 -179.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.81 -154.24 23.74 Favored Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.495 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -81.77 60.15 4.55 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.249 0.547 . . . . 0.0 111.03 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 66.0 mtt180 -121.11 -103.49 0.4 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.7 0.762 . . . . 0.0 110.36 179.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . 0.703 ' HA2' ' HD2' ' D' ' 28' ' ' PRO . . . 168.64 171.76 34.78 Favored Glycine 0 N--CA 1.439 -1.136 0 N-CA-C 109.67 -1.372 . . . . 0.0 109.67 -179.677 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . 0.757 ' CE1' ' HB3' ' B' ' 16' ' ' TYR . 11.4 p90 -160.12 160.6 33.18 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 117.435 0.617 . . . . 0.0 111.163 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . 0.534 ' HD1' ' HD1' ' D' ' 25' ' ' PHE . 15.8 m-85 -104.26 104.28 14.16 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.985 -1.007 . . . . 0.0 108.625 179.583 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.45 ' OH ' ' HA3' ' B' ' 8' ' ' GLY . 78.0 t80 -101.41 132.37 47.02 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.724 -179.483 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' THR . . . . . 0.428 ' C ' ' H ' ' B' ' 29' ' ' LYS . 6.5 p -123.44 96.97 43.09 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.225 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . 0.899 ' HG3' ' HB2' ' D' ' 16' ' ' TYR . 96.2 Cg_endo -77.8 34.99 0.49 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.715 2.276 . . . . 0.0 111.645 179.259 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.428 ' H ' ' C ' ' B' ' 27' ' ' THR . 87.2 tttt -105.89 133.18 51.02 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.538 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 23.7 m . . . . . 0 C--O 1.246 0.899 0 CA-C-O 118.527 -0.749 . . . . 0.0 109.56 -179.48 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 1' ' ' GLY . . . . . 0.469 ' O ' ' HG2' ' C' ' 5' ' ' GLN . . . . . . . . 0 N--CA 1.479 1.546 0 N-CA-C 111.553 -0.619 . . . . 0.0 111.553 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 2' ' ' ILE . . . . . 0.467 ' CD1' HD13 ' D' ' 15' ' ' LEU . 10.2 tt -66.06 -41.46 89.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 117.007 0.404 . . . . 0.0 111.342 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 3' ' ' VAL . . . . . 0.48 HG13 ' HG3' ' D' ' 4' ' ' GLN . 33.5 m -70.44 -18.63 21.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.243 0.545 . . . . 0.0 110.814 179.641 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -81.68 -31.44 32.21 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.215 -0.902 . . . . 0.0 112.414 -179.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 5' ' ' GLN . . . . . 0.594 ' HG3' ' SG ' ' C' ' 11' ' ' CYS . 16.4 pt20 -112.64 -30.19 7.19 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 113.464 0.912 . . . . 0.0 113.464 -178.09 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 61.0 m -90.86 -35.85 14.54 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -178.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 7' ' ' CYS . . . . . 0.565 ' HB2' HD12 ' D' ' 11' ' ' LEU . 43.9 t -83.18 -7.2 59.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.951 0.405 . . . . 0.0 111.176 -179.241 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 1.2 p -87.27 -57.16 3.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 122.325 -0.234 . . . . 0.0 111.522 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 9' ' ' SER . . . . . 0.421 ' O ' ' HB ' ' C' ' 10' ' ' ILE . 25.5 p -144.13 24.7 1.61 Allowed 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 -179.401 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . 0.49 HD11 ' HB3' ' L' ' 3' ' ' ASN . 2.0 mp 71.53 138.03 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 CA-C-O 121.451 0.643 . . . . 0.0 111.422 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 11' ' ' CYS . . . . . 0.594 ' SG ' ' HG3' ' C' ' 5' ' ' GLN . 96.0 m -93.54 158.55 15.65 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.349 179.322 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 15.8 m -74.9 163.29 27.81 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 178.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 13' ' ' LEU . . . . . 0.903 HD13 HG12 ' D' ' 18' ' ' VAL . 23.0 tp -51.43 -50.42 59.76 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.25 0.548 . . . . 0.0 111.514 -179.528 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -64.06 -28.48 69.81 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.318 -0.856 . . . . 0.0 112.223 -178.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -72.58 -31.86 65.55 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.724 0.297 . . . . 0.0 111.199 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 91.5 mt -70.0 -30.17 67.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.836 0.351 . . . . 0.0 110.319 179.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -65.87 -16.97 64.32 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.21 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -69.47 -18.03 63.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.504 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -102.33 6.12 40.24 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.483 -178.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 2.9 m -73.1 152.46 41.2 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 . . . . . 0 C--O 1.251 1.169 0 CA-C-N 115.135 -0.938 . . . . 0.0 109.295 178.659 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 1' ' ' PHE . . . . . 0.547 ' O ' HG21 ' D' ' 2' ' ' VAL . 9.4 t80 . . . . . 0 N--CA 1.48 1.042 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 2' ' ' VAL . . . . . 0.547 HG21 ' O ' ' D' ' 1' ' ' PHE . 33.4 m 42.93 -146.42 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 C-N-CA 124.423 1.089 . . . . 0.0 113.203 -179.697 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 3' ' ' ASN . . . . . 0.513 ' HB3' HD11 ' G' ' 10' ' ' ILE . 24.7 t-20 -156.99 177.32 11.65 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 110.094 -0.335 . . . . 0.0 110.094 -177.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 4' ' ' GLN . . . . . 0.775 ' HA ' ' HB3' ' D' ' 7' ' ' CYS . 0.1 OUTLIER -52.52 -27.56 16.97 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 123.25 0.62 . . . . 0.0 110.493 178.628 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' D' D ' 5' ' ' HIS . . . . . . . . . . . . . 60.0 t60 -59.85 -15.24 19.59 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.292 179.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 6' ' ' LEU . . . . . 0.707 HD22 ' H4 ' ' G' ' 22' ' ' IPH . 14.8 mt -123.97 -14.54 7.1 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.327 0.584 . . . . 0.0 110.103 178.133 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 7' ' ' CYS . . . . . 0.775 ' HB3' ' HA ' ' D' ' 4' ' ' GLN . 1.7 t -84.62 -42.33 15.49 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.59 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 8' ' ' GLY . . . . . 0.536 ' HA2' HD13 ' D' ' 11' ' ' LEU . . . -64.13 -25.03 69.26 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 121.312 -0.47 . . . . 0.0 114.271 -178.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 9' ' ' SER . . . . . 0.713 ' HB2' ' HG2' ' B' ' 13' ' ' GLU . 77.4 p -64.85 -18.12 64.87 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.953 0.406 . . . . 0.0 111.451 -178.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 10' ' ' HIS . . . . . 0.711 ' HA ' ' HG3' ' D' ' 13' ' ' GLU . 92.4 m-70 -104.99 -19.75 13.74 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.359 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 11' ' ' LEU . . . . . 0.712 ' HA ' ' H5 ' ' C' ' 22' ' ' IPH . 58.8 mt -68.86 -38.81 80.01 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 177.757 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . 0.658 HG22 HG22 ' B' ' 12' ' ' VAL . 15.4 m -69.12 -27.97 37.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 114.728 -1.124 . . . . 0.0 112.218 -179.698 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 13' ' ' GLU . . . . . 0.711 ' HG3' ' HA ' ' D' ' 10' ' ' HIS . 23.8 mt-10 -59.07 -49.28 78.47 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 121.359 0.599 . . . . 0.0 109.475 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.34 -30.2 63.18 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.377 -0.828 . . . . 0.0 110.709 179.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 15' ' ' LEU . . . . . 0.627 ' HB2' ' HA ' ' D' ' 12' ' ' VAL . 4.6 mt -55.24 -62.1 1.89 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.996 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 16' ' ' TYR . . . . . 0.899 ' HB2' ' HG3' ' B' ' 28' ' ' PRO . 3.3 p90 -71.22 -20.48 62.25 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 120.321 -0.552 . . . . 0.0 111.277 -178.62 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . 0.757 HD13 ' H3 ' ' I' ' 22' ' ' IPH . 9.4 tt -66.71 -44.94 80.32 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 178.76 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . 0.903 HG12 HD13 ' C' ' 13' ' ' LEU . 69.8 t -74.3 -40.76 50.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.109 178.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 19' ' ' CYS . . . . . . . . . . . . . 2.0 t -64.41 -32.2 73.72 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.19 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.16 -152.93 22.52 Favored Glycine 0 N--CA 1.444 -0.821 0 C-N-CA 120.527 -0.844 . . . . 0.0 112.42 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -83.15 58.92 4.68 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.173 0.511 . . . . 0.0 110.972 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 22' ' ' ARG . . . . . . . . . . . . . 69.6 mtt180 -120.23 -103.1 0.41 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.81 0.814 . . . . 0.0 110.461 179.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 23' ' ' GLY . . . . . 0.666 ' HA2' ' HD2' ' B' ' 28' ' ' PRO . . . 168.48 171.42 34.3 Favored Glycine 0 N--CA 1.437 -1.261 0 CA-C-N 114.281 -1.327 . . . . 0.0 109.866 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 24' ' ' PHE . . . . . 0.753 ' CE1' ' HB3' ' D' ' 16' ' ' TYR . 10.9 p90 -159.8 160.25 33.62 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.473 0.654 . . . . 0.0 111.536 -179.708 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 25' ' ' PHE . . . . . 0.534 ' HD1' ' HD1' ' B' ' 25' ' ' PHE . 15.2 m-85 -103.76 104.01 13.97 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.933 -1.03 . . . . 0.0 108.985 179.534 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 26' ' ' TYR . . . . . 0.449 ' OH ' ' HA3' ' D' ' 8' ' ' GLY . 76.7 t80 -101.06 131.98 46.71 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.458 -0.497 . . . . 0.0 110.723 -179.459 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 27' ' ' THR . . . . . 0.433 ' C ' ' H ' ' D' ' 29' ' ' LYS . 4.9 p -123.54 95.99 44.24 Favored Pre-proline 0 C--N 1.32 -0.711 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.289 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 28' ' ' PRO . . . . . 0.906 ' HG3' ' HB2' ' B' ' 16' ' ' TYR . 98.1 Cg_endo -77.14 35.58 0.5 Allowed 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 123.083 2.522 . . . . 0.0 111.627 179.247 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 29' ' ' LYS . . . . . 0.433 ' H ' ' C ' ' D' ' 27' ' ' THR . 87.5 tttt -106.41 132.63 52.22 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.342 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 26.8 m . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.553 -0.737 . . . . 0.0 109.788 -179.332 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' E' E ' 1' ' ' GLY . . . . . 0.508 ' O ' ' HG2' ' E' ' 5' ' ' GLN . . . . . . . . 0 N--CA 1.487 2.096 0 N-CA-C 111.869 -0.493 . . . . 0.0 111.869 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 2' ' ' ILE . . . . . 0.475 ' CD1' HD13 ' F' ' 15' ' ' LEU . 10.6 tt -67.27 -41.89 87.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.771 0.32 . . . . 0.0 111.147 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 3' ' ' VAL . . . . . 0.492 HG13 ' HG3' ' F' ' 4' ' ' GLN . 33.9 m -70.84 -17.2 20.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.221 0.534 . . . . 0.0 110.957 179.656 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 4' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -82.72 -31.34 28.54 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.208 -0.905 . . . . 0.0 112.356 -179.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 5' ' ' GLN . . . . . 0.596 ' HG3' ' SG ' ' E' ' 11' ' ' CYS . 16.2 pt20 -112.43 -31.43 6.81 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 113.234 0.828 . . . . 0.0 113.234 -177.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 6' ' ' CYS . . . . . . . . . . . . . 60.6 m -89.63 -35.99 15.53 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -178.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 7' ' ' CYS . . . . . 0.584 ' HB2' HD12 ' F' ' 11' ' ' LEU . 43.2 t -83.26 -7.08 59.65 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.046 0.45 . . . . 0.0 111.409 -179.242 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 1.2 p -87.28 -56.96 3.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 122.206 -0.309 . . . . 0.0 111.438 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 9' ' ' SER . . . . . 0.41 ' O ' ' HB ' ' E' ' 10' ' ' ILE . 12.2 p -144.76 25.56 1.45 Allowed 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.748 0.277 . . . . 0.0 111.748 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 10' ' ' ILE . . . . . 0.496 HD11 ' HB3' ' J' ' 3' ' ' ASN . 2.0 mp 71.04 137.53 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 CA-C-O 121.494 0.664 . . . . 0.0 111.834 179.672 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 11' ' ' CYS . . . . . 0.596 ' SG ' ' HG3' ' E' ' 5' ' ' GLN . 91.8 m -93.27 155.94 17.11 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.764 179.216 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 12' ' ' SER . . . . . . . . . . . . . 9.5 m -72.06 162.87 28.84 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 178.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 13' ' ' LEU . . . . . 0.894 HD13 HG12 ' F' ' 18' ' ' VAL . 23.4 tp -51.4 -50.39 59.71 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.214 0.53 . . . . 0.0 111.605 -179.593 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -64.15 -28.12 69.55 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.409 -0.814 . . . . 0.0 112.258 -178.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -72.63 -32.45 65.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.767 0.318 . . . . 0.0 110.968 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 16' ' ' LEU . . . . . . . . . . . . . 91.9 mt -69.41 -30.01 67.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.898 0.38 . . . . 0.0 110.501 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 17' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -66.53 -16.37 64.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.155 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 18' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -69.6 -17.74 63.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.462 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 19' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -102.76 6.39 39.34 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.529 -178.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 20' ' ' CYS . . . . . . . . . . . . . 2.3 m -72.31 154.05 41.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.296 0.569 . . . . 0.0 112.446 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 21' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 . . . . . 0 C--O 1.252 1.201 0 CA-C-N 115.133 -0.939 . . . . 0.0 109.626 179.184 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' F' F ' 1' ' ' PHE . . . . . 0.524 ' O ' HG21 ' F' ' 2' ' ' VAL . 9.3 t80 . . . . . 0 N--CA 1.48 1.037 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 2' ' ' VAL . . . . . 0.524 HG21 ' O ' ' F' ' 1' ' ' PHE . 33.9 m 42.05 -146.18 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 124.313 1.045 . . . . 0.0 113.261 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 3' ' ' ASN . . . . . 0.472 ' HB3' HD11 ' A' ' 10' ' ' ILE . 24.3 t-20 -157.36 176.68 12.36 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.521 -0.308 . . . . 0.0 110.208 -178.069 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 4' ' ' GLN . . . . . 0.794 ' HA ' ' HB3' ' F' ' 7' ' ' CYS . 0.1 OUTLIER -51.93 -27.5 13.28 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 123.516 0.726 . . . . 0.0 110.519 178.759 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' F' F ' 5' ' ' HIS . . . . . . . . . . . . . 62.1 t60 -60.46 -14.51 19.71 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.144 179.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 6' ' ' LEU . . . . . 0.711 HD22 ' H4 ' ' A' ' 22' ' ' IPH . 14.7 mt -124.34 -15.03 6.81 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.35 0.595 . . . . 0.0 110.047 178.175 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 7' ' ' CYS . . . . . 0.794 ' HB3' ' HA ' ' F' ' 4' ' ' GLN . 1.8 t -84.22 -43.17 15.17 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.346 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 8' ' ' GLY . . . . . 0.543 ' HA2' HD13 ' F' ' 11' ' ' LEU . . . -63.22 -25.38 68.24 Favored Glycine 0 N--CA 1.449 -0.47 0 N-CA-C 114.266 0.466 . . . . 0.0 114.266 -179.048 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 9' ' ' SER . . . . . 0.719 ' HB2' ' HG2' ' H' ' 13' ' ' GLU . 79.2 p -64.82 -17.73 64.5 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.049 0.452 . . . . 0.0 111.426 -179.047 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 10' ' ' HIS . . . . . 0.701 ' HA ' ' HG3' ' F' ' 13' ' ' GLU . 92.9 m-70 -105.54 -19.27 13.83 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.397 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 11' ' ' LEU . . . . . 0.698 ' HA ' ' H5 ' ' E' ' 22' ' ' IPH . 57.2 mt -69.15 -38.89 79.0 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 177.49 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 12' ' ' VAL . . . . . 0.639 HG22 HG22 ' H' ' 12' ' ' VAL . 15.3 m -68.95 -27.59 36.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 114.695 -1.139 . . . . 0.0 112.304 -179.685 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 13' ' ' GLU . . . . . 0.701 ' HG3' ' HA ' ' F' ' 10' ' ' HIS . 23.6 mt-10 -59.25 -49.56 77.37 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 121.342 0.591 . . . . 0.0 109.583 179.669 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.21 -30.46 63.52 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.71 179.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 15' ' ' LEU . . . . . 0.636 ' HB2' ' HA ' ' F' ' 12' ' ' VAL . 4.5 mt -55.03 -61.59 2.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.903 -0.589 . . . . 0.0 112.189 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 16' ' ' TYR . . . . . 0.904 ' HB2' ' HG3' ' H' ' 28' ' ' PRO . 3.6 p90 -71.98 -20.21 61.76 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 120.169 -0.612 . . . . 0.0 111.182 -178.676 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 17' ' ' LEU . . . . . 0.741 HD13 ' H3 ' ' K' ' 22' ' ' IPH . 9.3 tt -66.52 -45.35 79.8 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . 0.894 HG12 HD13 ' E' ' 13' ' ' LEU . 70.7 t -73.75 -41.24 54.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.317 178.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 19' ' ' CYS . . . . . . . . . . . . . 2.0 t -64.03 -32.51 74.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.047 -179.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.53 -154.02 23.78 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.159 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 21' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -81.53 60.59 4.6 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.353 0.597 . . . . 0.0 110.927 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 22' ' ' ARG . . . . . . . . . . . . . 63.2 mtt180 -121.92 -103.56 0.39 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.788 0.804 . . . . 0.0 110.225 179.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 23' ' ' GLY . . . . . 0.665 ' HA2' ' HD2' ' H' ' 28' ' ' PRO . . . 168.46 171.1 33.95 Favored Glycine 0 N--CA 1.44 -1.094 0 N-CA-C 109.803 -1.319 . . . . 0.0 109.803 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 24' ' ' PHE . . . . . 0.768 ' CE1' ' HB3' ' F' ' 16' ' ' TYR . 11.3 p90 -159.45 160.3 34.61 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.375 0.607 . . . . 0.0 111.363 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 25' ' ' PHE . . . . . 0.525 ' HD1' ' HD1' ' H' ' 25' ' ' PHE . 15.5 m-85 -103.77 104.85 14.92 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.916 -1.038 . . . . 0.0 108.664 179.379 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 26' ' ' TYR . . . . . 0.444 ' OH ' ' HA3' ' F' ' 8' ' ' GLY . 77.7 t80 -101.98 131.97 48.08 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.353 -0.539 . . . . 0.0 110.66 -179.587 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 27' ' ' THR . . . . . 0.428 ' C ' ' H ' ' F' ' 29' ' ' LYS . 5.9 p -123.38 97.38 42.68 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.063 179.728 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 28' ' ' PRO . . . . . 0.889 ' HG3' ' HB2' ' H' ' 16' ' ' TYR . 98.6 Cg_endo -77.89 34.7 0.49 Allowed 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 123.042 2.495 . . . . 0.0 111.587 179.386 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 29' ' ' LYS . . . . . 0.428 ' H ' ' C ' ' F' ' 27' ' ' THR . 86.5 tttt -104.76 135.65 45.74 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.111 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 30' ' ' THR . . . . . . . . . . . . . 24.6 m . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.744 -0.646 . . . . 0.0 109.68 -179.622 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' G' G ' 1' ' ' GLY . . . . . 0.496 ' O ' ' HG2' ' G' ' 5' ' ' GLN . . . . . . . . 0 N--CA 1.491 2.344 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 2' ' ' ILE . . . . . 0.471 ' CD1' HD13 ' H' ' 15' ' ' LEU . 9.8 tt -67.64 -41.26 85.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.892 0.377 . . . . 0.0 111.035 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 3' ' ' VAL . . . . . 0.474 HG13 ' HG3' ' H' ' 4' ' ' GLN . 33.8 m -70.97 -16.47 19.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.257 0.551 . . . . 0.0 111.082 179.596 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 4' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -84.61 -29.99 25.32 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.234 -0.894 . . . . 0.0 112.079 -178.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 5' ' ' GLN . . . . . 0.588 ' HG3' ' SG ' ' G' ' 11' ' ' CYS . 16.4 pt20 -113.48 -30.56 6.82 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 -178.093 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 6' ' ' CYS . . . . . 0.4 ' HB3' ' H6 ' ' G' ' 22' ' ' IPH . 61.1 m -90.95 -35.4 14.72 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -178.06 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 7' ' ' CYS . . . . . 0.588 ' HB2' HD12 ' H' ' 11' ' ' LEU . 46.0 t -83.96 -6.09 59.35 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.039 0.447 . . . . 0.0 111.322 -179.173 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -88.19 -56.54 3.28 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.376 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 9' ' ' SER . . . . . 0.412 ' O ' ' HB ' ' G' ' 10' ' ' ILE . 29.1 p -145.33 25.04 1.39 Allowed 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 121.038 -0.265 . . . . 0.0 111.597 -179.592 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 10' ' ' ILE . . . . . 0.513 HD11 ' HB3' ' D' ' 3' ' ' ASN . 2.1 mp 71.72 139.22 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 CA-C-O 121.525 0.679 . . . . 0.0 111.647 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 11' ' ' CYS . . . . . 0.588 ' SG ' ' HG3' ' G' ' 5' ' ' GLN . 94.0 m -94.87 156.5 16.32 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.459 179.42 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 12' ' ' SER . . . . . . . . . . . . . 5.9 m -72.62 163.45 28.04 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 178.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 13' ' ' LEU . . . . . 0.899 HD13 HG12 ' H' ' 18' ' ' VAL . 23.2 tp -51.59 -50.97 59.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.248 0.547 . . . . 0.0 111.638 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -62.99 -30.13 71.36 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.96 -178.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -70.77 -32.57 69.74 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.736 0.303 . . . . 0.0 111.266 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 16' ' ' LEU . . . . . . . . . . . . . 93.5 mt -69.76 -28.53 65.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.986 0.422 . . . . 0.0 110.629 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 17' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -68.08 -16.0 63.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.225 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 18' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -69.42 -20.06 63.79 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.322 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 19' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -100.26 6.1 44.65 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.795 -178.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 20' ' ' CYS . . . . . . . . . . . . . 2.9 m -73.0 153.77 40.78 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -179.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 21' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 . . . . . 0 C--O 1.251 1.146 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.413 178.911 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' H' H ' 1' ' ' PHE . . . . . 0.54 ' O ' HG21 ' H' ' 2' ' ' VAL . 9.7 t80 . . . . . 0 N--CA 1.482 1.126 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 2' ' ' VAL . . . . . 0.54 HG21 ' O ' ' H' ' 1' ' ' PHE . 33.8 m 42.66 -146.17 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 C-N-CA 124.181 0.992 . . . . 0.0 113.207 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 3' ' ' ASN . . . . . 0.473 ' HB3' HD11 ' K' ' 10' ' ' ILE . 24.4 t-20 -157.4 176.84 12.15 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 -177.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 4' ' ' GLN . . . . . 0.78 ' HA ' ' HB3' ' H' ' 7' ' ' CYS . 0.1 OUTLIER -51.85 -28.34 15.58 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 123.413 0.685 . . . . 0.0 110.394 178.623 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' H' H ' 5' ' ' HIS . . . . . . . . . . . . . 61.1 t60 -59.59 -15.12 16.41 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.269 179.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 6' ' ' LEU . . . . . 0.712 HD22 ' H4 ' ' K' ' 22' ' ' IPH . 14.7 mt -124.08 -14.09 7.15 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.335 0.588 . . . . 0.0 110.02 178.151 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 7' ' ' CYS . . . . . 0.78 ' HB3' ' HA ' ' H' ' 4' ' ' GLN . 1.7 t -85.05 -42.51 14.78 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.368 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 8' ' ' GLY . . . . . 0.565 ' HA2' HD13 ' H' ' 11' ' ' LEU . . . -64.17 -25.27 69.52 Favored Glycine 0 N--CA 1.452 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 113.961 -178.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 9' ' ' SER . . . . . 0.697 ' HB2' ' HG2' ' F' ' 13' ' ' GLU . 77.3 p -64.66 -17.42 64.04 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.0 0.429 . . . . 0.0 111.419 -179.025 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 10' ' ' HIS . . . . . 0.686 ' HA ' ' HG3' ' H' ' 13' ' ' GLU . 92.9 m-70 -105.71 -19.89 13.62 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.447 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 11' ' ' LEU . . . . . 0.675 ' HA ' ' H5 ' ' G' ' 22' ' ' IPH . 55.6 mt -68.57 -38.78 81.0 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 177.599 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 12' ' ' VAL . . . . . 0.639 HG22 HG22 ' F' ' 12' ' ' VAL . 15.5 m -68.99 -27.75 36.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 114.778 -1.101 . . . . 0.0 112.229 -179.638 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 13' ' ' GLU . . . . . 0.719 ' HG2' ' HB2' ' F' ' 9' ' ' SER . 24.1 mt-10 -59.1 -49.54 77.48 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-O 121.387 0.613 . . . . 0.0 109.465 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.39 -29.9 62.92 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.788 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 15' ' ' LEU . . . . . 0.613 ' HB2' ' HA ' ' H' ' 12' ' ' VAL . 4.5 mt -55.34 -61.9 2.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.89 -0.595 . . . . 0.0 112.128 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 16' ' ' TYR . . . . . 0.889 ' HB2' ' HG3' ' F' ' 28' ' ' PRO . 3.6 p90 -71.62 -20.07 62.03 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.128 -0.629 . . . . 0.0 111.064 -178.62 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 17' ' ' LEU . . . . . 0.748 HD13 ' H3 ' ' A' ' 22' ' ' IPH . 9.4 tt -66.86 -44.73 80.23 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 178.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . 0.899 HG12 HD13 ' G' ' 13' ' ' LEU . 69.7 t -74.86 -39.26 45.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.319 178.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 19' ' ' CYS . . . . . . . . . . . . . 2.3 t -66.05 -31.45 72.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.162 -179.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.52 -152.49 22.61 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.577 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 21' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -83.34 58.76 4.67 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.352 0.596 . . . . 0.0 110.848 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 22' ' ' ARG . . . . . . . . . . . . . 69.9 mtt180 -119.82 -104.03 0.4 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.565 0.698 . . . . 0.0 110.381 179.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 23' ' ' GLY . . . . . 0.68 ' HA2' ' HD2' ' F' ' 28' ' ' PRO . . . 169.59 171.63 35.38 Favored Glycine 0 N--CA 1.437 -1.236 0 N-CA-C 109.652 -1.379 . . . . 0.0 109.652 -179.645 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 24' ' ' PHE . . . . . 0.761 ' CE1' ' HB3' ' H' ' 16' ' ' TYR . 11.0 p90 -160.07 159.99 32.59 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 117.506 0.653 . . . . 0.0 111.282 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 25' ' ' PHE . . . . . 0.525 ' HD1' ' HD1' ' F' ' 25' ' ' PHE . 15.1 m-85 -103.72 103.45 13.35 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.011 179.508 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 26' ' ' TYR . . . . . 0.454 ' OH ' ' HA3' ' H' ' 8' ' ' GLY . 77.0 t80 -100.09 133.29 44.69 Favored 'General case' 0 C--N 1.318 -0.793 0 C-N-CA 120.354 -0.539 . . . . 0.0 110.782 -179.627 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 27' ' ' THR . . . . . 0.428 ' C ' ' H ' ' H' ' 29' ' ' LYS . 4.5 p -124.61 96.56 40.76 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.066 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 28' ' ' PRO . . . . . 0.904 ' HG3' ' HB2' ' F' ' 16' ' ' TYR . 99.0 Cg_endo -77.89 35.61 0.53 Allowed 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.983 2.455 . . . . 0.0 111.717 179.505 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 29' ' ' LYS . . . . . 0.428 ' H ' ' C ' ' H' ' 27' ' ' THR . 86.5 tttt -106.12 133.55 50.65 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.332 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 30' ' ' THR . . . . . . . . . . . . . 26.0 m . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.92 -0.562 . . . . 0.0 109.811 -179.481 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' I' I ' 1' ' ' GLY . . . . . 0.464 ' O ' ' HG2' ' I' ' 5' ' ' GLN . . . . . . . . 0 N--CA 1.492 2.375 0 N-CA-C 111.837 -0.505 . . . . 0.0 111.837 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 2' ' ' ILE . . . . . 0.464 ' CD1' HD13 ' J' ' 15' ' ' LEU . 10.5 tt -64.89 -42.12 93.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 117.074 0.437 . . . . 0.0 111.425 -179.58 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' I' I ' 3' ' ' VAL . . . . . 0.495 HG13 ' HG3' ' J' ' 4' ' ' GLN . 33.3 m -70.28 -17.94 21.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 121.364 0.602 . . . . 0.0 111.076 179.733 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' I' I ' 4' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -82.74 -30.04 29.31 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.216 -0.902 . . . . 0.0 112.227 -179.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 5' ' ' GLN . . . . . 0.575 ' HG3' ' SG ' ' I' ' 11' ' ' CYS . 16.4 pt20 -113.76 -31.15 6.54 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 -178.296 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' I' I ' 6' ' ' CYS . . . . . . . . . . . . . 60.6 m -89.92 -36.08 15.22 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -178.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 7' ' ' CYS . . . . . 0.609 ' HB2' HD12 ' J' ' 11' ' ' LEU . 45.3 t -83.6 -5.78 59.27 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.96 0.41 . . . . 0.0 111.331 -179.06 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' I' I ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -88.32 -57.45 2.92 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.235 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' I' I ' 9' ' ' SER . . . . . 0.405 ' O ' ' HB ' ' I' ' 10' ' ' ILE . 14.5 p -144.76 26.07 1.42 Allowed 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.681 0.252 . . . . 0.0 111.681 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' I' I ' 10' ' ' ILE . . . . . 0.497 HD11 ' HB3' ' B' ' 3' ' ' ASN . 2.1 mp 71.13 137.46 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 CA-C-O 121.586 0.707 . . . . 0.0 111.886 179.58 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' I' I ' 11' ' ' CYS . . . . . 0.575 ' SG ' ' HG3' ' I' ' 5' ' ' GLN . 92.1 m -93.39 155.78 17.17 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.617 179.302 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' I' I ' 12' ' ' SER . . . . . . . . . . . . . 11.0 m -72.38 163.05 28.63 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 178.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 13' ' ' LEU . . . . . 0.889 HD13 HG12 ' J' ' 18' ' ' VAL . 24.0 tp -50.86 -51.0 55.66 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.4 0.619 . . . . 0.0 111.749 -179.763 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -63.46 -28.21 69.81 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.259 -0.882 . . . . 0.0 112.41 -178.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -73.01 -32.14 64.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.746 0.308 . . . . 0.0 111.012 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 16' ' ' LEU . . . . . . . . . . . . . 93.3 mt -69.7 -29.53 66.96 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.951 0.405 . . . . 0.0 110.469 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 17' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -67.03 -16.16 64.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.318 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 18' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -68.97 -20.0 64.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.989 0.423 . . . . 0.0 111.174 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 19' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -100.4 6.2 44.42 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.709 -178.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 20' ' ' CYS . . . . . . . . . . . . . 2.2 m -72.67 153.0 41.41 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.347 0.594 . . . . 0.0 112.477 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 21' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 . . . . . 0 C--O 1.251 1.181 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.037 178.742 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' J' J ' 1' ' ' PHE . . . . . 0.535 ' O ' HG21 ' J' ' 2' ' ' VAL . 10.2 t80 . . . . . 0 N--CA 1.483 1.184 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 2' ' ' VAL . . . . . 0.535 HG21 ' O ' ' J' ' 1' ' ' PHE . 34.0 m 42.4 -145.91 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 C-N-CA 124.416 1.087 . . . . 0.0 113.219 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' J' J ' 3' ' ' ASN . . . . . 0.496 ' HB3' HD11 ' E' ' 10' ' ' ILE . 24.5 t-20 -157.93 176.16 12.9 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 -177.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' J' J ' 4' ' ' GLN . . . . . 0.799 ' HA ' ' HB3' ' J' ' 7' ' ' CYS . 0.1 OUTLIER -51.23 -28.17 10.86 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 123.423 0.689 . . . . 0.0 110.492 178.691 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' J' J ' 5' ' ' HIS . . . . . . . . . . . . . 59.5 t60 -59.56 -15.36 17.81 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.352 179.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 6' ' ' LEU . . . . . 0.729 HD22 ' H4 ' ' E' ' 22' ' ' IPH . 14.9 mt -124.02 -13.94 7.21 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.39 0.614 . . . . 0.0 110.141 178.055 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' J' J ' 7' ' ' CYS . . . . . 0.799 ' HB3' ' HA ' ' J' ' 4' ' ' GLN . 1.6 t -85.44 -41.93 14.95 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.373 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' J' J ' 8' ' ' GLY . . . . . 0.544 ' HA2' HD13 ' J' ' 11' ' ' LEU . . . -64.37 -25.72 70.14 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 121.322 -0.466 . . . . 0.0 114.156 -178.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' J' J ' 9' ' ' SER . . . . . 0.687 ' HB2' ' HG2' ' L' ' 13' ' ' GLU . 78.5 p -64.11 -18.21 64.19 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.869 0.366 . . . . 0.0 111.317 -179.066 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' J' J ' 10' ' ' HIS . . . . . 0.702 ' HA ' ' HG3' ' J' ' 13' ' ' GLU . 92.9 m-70 -105.25 -19.06 13.92 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.967 0.413 . . . . 0.0 110.431 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' J' J ' 11' ' ' LEU . . . . . 0.692 ' HA ' ' H5 ' ' I' ' 22' ' ' IPH . 57.8 mt -69.22 -38.87 78.78 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 177.596 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' J' J ' 12' ' ' VAL . . . . . 0.648 HG22 HG22 ' L' ' 12' ' ' VAL . 15.5 m -69.13 -27.73 36.27 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 CA-C-N 114.613 -1.176 . . . . 0.0 112.303 -179.608 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' J' J ' 13' ' ' GLU . . . . . 0.702 ' HG3' ' HA ' ' J' ' 10' ' ' HIS . 24.3 mt-10 -59.17 -49.38 78.07 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.296 0.57 . . . . 0.0 109.554 179.711 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' J' J ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.26 -30.41 63.42 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.606 179.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 15' ' ' LEU . . . . . 0.618 ' HB2' ' HA ' ' J' ' 12' ' ' VAL . 4.5 mt -54.91 -61.49 2.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.891 -0.595 . . . . 0.0 112.109 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' J' J ' 16' ' ' TYR . . . . . 0.903 ' HB2' ' HG3' ' L' ' 28' ' ' PRO . 3.8 p90 -72.26 -20.33 61.55 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.17 -0.612 . . . . 0.0 111.092 -178.51 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' J' J ' 17' ' ' LEU . . . . . 0.758 HD13 ' H3 ' ' C' ' 22' ' ' IPH . 9.4 tt -66.4 -44.95 81.61 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 178.733 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' J' J ' 18' ' ' VAL . . . . . 0.889 HG12 HD13 ' I' ' 13' ' ' LEU . 70.1 t -74.45 -41.26 49.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.15 179.039 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' J' J ' 19' ' ' CYS . . . . . . . . . . . . . 2.0 t -63.57 -33.31 75.32 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.157 -179.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.47 -154.68 23.57 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.212 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 21' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -81.04 60.99 4.44 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.087 0.47 . . . . 0.0 110.865 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 22' ' ' ARG . . . . . . . . . . . . . 68.3 mtt180 -122.02 -102.53 0.4 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.809 0.814 . . . . 0.0 110.343 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 23' ' ' GLY . . . . . 0.669 ' HA2' ' HD2' ' L' ' 28' ' ' PRO . . . 167.4 170.38 32.15 Favored Glycine 0 N--CA 1.44 -1.099 0 N-CA-C 109.698 -1.361 . . . . 0.0 109.698 -179.494 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' J' J ' 24' ' ' PHE . . . . . 0.767 ' CE1' ' HB3' ' J' ' 16' ' ' TYR . 11.0 p90 -159.36 160.37 34.93 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 117.394 0.597 . . . . 0.0 111.437 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' J' J ' 25' ' ' PHE . . . . . 0.54 ' HD1' ' HD1' ' L' ' 25' ' ' PHE . 14.6 m-85 -103.44 104.51 14.6 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.03 -0.986 . . . . 0.0 108.893 179.585 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' J' J ' 26' ' ' TYR . . . . . 0.446 ' OH ' ' HA3' ' J' ' 8' ' ' GLY . 76.8 t80 -101.39 133.08 46.55 Favored 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 120.377 -0.529 . . . . 0.0 110.562 -179.588 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' J' J ' 27' ' ' THR . . . . . 0.435 ' C ' ' H ' ' J' ' 29' ' ' LYS . 4.8 p -124.52 96.23 41.59 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.134 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' J' J ' 28' ' ' PRO . . . . . 0.913 ' HG3' ' HB2' ' L' ' 16' ' ' TYR . 88.5 Cg_endo -77.2 34.96 0.47 Allowed 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 123.062 2.508 . . . . 0.0 111.708 179.305 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' J' J ' 29' ' ' LYS . . . . . 0.435 ' H ' ' C ' ' J' ' 27' ' ' THR . 86.7 tttt -105.54 134.0 49.38 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.419 -0.809 . . . . 0.0 109.509 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' J' J ' 30' ' ' THR . . . . . . . . . . . . . 25.8 m . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.725 -0.655 . . . . 0.0 109.865 -179.542 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' K' K ' 1' ' ' GLY . . . . . 0.477 ' O ' ' HG2' ' K' ' 5' ' ' GLN . . . . . . . . 0 N--CA 1.486 1.971 0 N-CA-C 112.209 -0.356 . . . . 0.0 112.209 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 2' ' ' ILE . . . . . 0.462 ' CD1' HD13 ' L' ' 15' ' ' LEU . 10.3 tt -64.74 -42.29 94.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.842 0.354 . . . . 0.0 111.484 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' K' K ' 3' ' ' VAL . . . . . 0.478 HG13 ' HG3' ' L' ' 4' ' ' GLN . 33.5 m -69.68 -18.92 22.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 121.323 0.582 . . . . 0.0 111.193 179.521 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' K' K ' 4' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -81.68 -31.32 32.29 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.203 -0.908 . . . . 0.0 112.303 -179.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 5' ' ' GLN . . . . . 0.601 ' HG3' ' SG ' ' K' ' 11' ' ' CYS . 16.4 pt20 -112.35 -30.82 7.03 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 -178.02 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' K' K ' 6' ' ' CYS . . . . . . . . . . . . . 60.3 m -90.52 -35.81 14.86 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -178.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 7' ' ' CYS . . . . . 0.597 ' HB2' HD12 ' L' ' 11' ' ' LEU . 44.8 t -83.41 -6.79 59.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.961 0.41 . . . . 0.0 111.213 -179.232 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' K' K ' 8' ' ' THR . . . . . . . . . . . . . 1.2 p -87.53 -56.06 3.52 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.535 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 9' ' ' SER . . . . . 0.412 ' O ' ' HB ' ' K' ' 10' ' ' ILE . 22.7 p -145.36 24.25 1.43 Allowed 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -179.077 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' K' K ' 10' ' ' ILE . . . . . 0.473 HD11 ' HB3' ' H' ' 3' ' ' ASN . 2.0 mp 71.6 137.42 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 CA-C-O 121.618 0.723 . . . . 0.0 111.673 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' K' K ' 11' ' ' CYS . . . . . 0.601 ' SG ' ' HG3' ' K' ' 5' ' ' GLN . 92.5 m -93.34 156.26 16.9 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.617 179.211 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' K' K ' 12' ' ' SER . . . . . . . . . . . . . 8.3 m -72.32 164.45 26.28 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 178.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 13' ' ' LEU . . . . . 0.897 HD13 HG12 ' L' ' 18' ' ' VAL . 22.6 tp -52.77 -50.88 62.65 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.262 0.554 . . . . 0.0 111.583 -179.506 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -63.2 -29.2 70.59 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.291 -0.868 . . . . 0.0 112.086 -178.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -71.72 -32.04 67.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.712 0.292 . . . . 0.0 111.135 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 16' ' ' LEU . . . . . . . . . . . . . 94.2 mt -70.31 -29.43 66.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.907 0.384 . . . . 0.0 110.41 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 17' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -66.58 -16.98 64.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.216 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 18' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -68.65 -19.16 64.39 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.482 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 19' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 -101.76 6.6 41.81 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.495 -178.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 20' ' ' CYS . . . . . . . . . . . . . 2.1 m -73.3 153.05 40.71 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 21' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 . . . . . 0 C--O 1.252 1.189 0 CA-C-N 115.1 -0.955 . . . . 0.0 109.184 178.83 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' L' L ' 1' ' ' PHE . . . . . 0.526 ' O ' HG21 ' L' ' 2' ' ' VAL . 9.3 t80 . . . . . 0 N--CA 1.482 1.16 0 N-CA-C 110.132 -0.322 . . . . 0.0 110.132 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 2' ' ' VAL . . . . . 0.526 HG21 ' O ' ' L' ' 1' ' ' PHE . 34.0 m 41.59 -146.35 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 C-N-CA 124.284 1.034 . . . . 0.0 113.274 -179.679 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' L' L ' 3' ' ' ASN . . . . . 0.49 ' HB3' HD11 ' C' ' 10' ' ' ILE . 24.4 t-20 -157.32 175.64 13.74 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 -178.043 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' L' L ' 4' ' ' GLN . . . . . 0.787 ' HA ' ' HB3' ' L' ' 7' ' ' CYS . 0.1 OUTLIER -50.38 -28.44 8.08 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 123.603 0.761 . . . . 0.0 110.609 178.713 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' L' L ' 5' ' ' HIS . . . . . . . . . . . . . 57.9 t60 -59.58 -14.8 14.73 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.392 179.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 6' ' ' LEU . . . . . 0.709 HD22 ' H4 ' ' C' ' 22' ' ' IPH . 14.6 mt -124.6 -14.12 6.88 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.403 0.62 . . . . 0.0 109.919 178.263 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' L' L ' 7' ' ' CYS . . . . . 0.787 ' HB3' ' HA ' ' L' ' 4' ' ' GLN . 1.7 t -85.01 -42.65 14.67 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.429 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' L' L ' 8' ' ' GLY . . . . . 0.55 ' HA2' HD13 ' L' ' 11' ' ' LEU . . . -63.96 -25.85 69.69 Favored Glycine 0 N--CA 1.452 -0.294 0 CA-C-N 116.033 -0.53 . . . . 0.0 114.131 -178.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' L' L ' 9' ' ' SER . . . . . 0.7 ' HB2' ' HG2' ' J' ' 13' ' ' GLU . 73.8 p -64.11 -17.99 63.98 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.945 0.402 . . . . 0.0 111.45 -179.224 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' L' L ' 10' ' ' HIS . . . . . 0.709 ' HA ' ' HG3' ' L' ' 13' ' ' GLU . 93.1 m-70 -105.19 -19.71 13.73 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.067 0.46 . . . . 0.0 110.38 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' L' L ' 11' ' ' LEU . . . . . 0.716 ' HA ' ' H5 ' ' K' ' 22' ' ' IPH . 58.0 mt -68.6 -39.22 81.0 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 177.517 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' L' L ' 12' ' ' VAL . . . . . 0.648 HG22 HG22 ' J' ' 12' ' ' VAL . 15.3 m -68.68 -28.04 38.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 114.662 -1.154 . . . . 0.0 112.175 -179.718 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' L' L ' 13' ' ' GLU . . . . . 0.709 ' HG3' ' HA ' ' L' ' 10' ' ' HIS . 24.0 mt-10 -59.01 -49.32 78.34 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.339 0.59 . . . . 0.0 109.517 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' L' L ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.55 -29.86 62.7 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.619 179.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 15' ' ' LEU . . . . . 0.611 ' HB2' ' HA ' ' L' ' 12' ' ' VAL . 4.5 mt -55.42 -61.52 2.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.824 -0.626 . . . . 0.0 112.094 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' L' L ' 16' ' ' TYR . . . . . 0.913 ' HB2' ' HG3' ' J' ' 28' ' ' PRO . 3.8 p90 -72.11 -20.01 61.7 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 120.107 -0.637 . . . . 0.0 111.197 -178.587 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' L' L ' 17' ' ' LEU . . . . . 0.753 HD13 ' H3 ' ' E' ' 22' ' ' IPH . 9.4 tt -66.37 -45.82 78.82 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 178.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' L' L ' 18' ' ' VAL . . . . . 0.897 HG12 HD13 ' K' ' 13' ' ' LEU . 68.9 t -73.72 -41.21 54.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.265 178.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' L' L ' 19' ' ' CYS . . . . . . . . . . . . . 2.3 t -64.23 -31.46 72.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.202 -179.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.05 -153.37 23.58 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.502 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 21' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -82.33 59.32 4.48 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.173 0.511 . . . . 0.0 111.091 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 22' ' ' ARG . . . . . . . . . . . . . 66.2 mtt180 -120.6 -103.66 0.4 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.719 0.771 . . . . 0.0 110.435 179.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 23' ' ' GLY . . . . . 0.683 ' HA2' ' HD2' ' J' ' 28' ' ' PRO . . . 169.08 170.99 34.35 Favored Glycine 0 N--CA 1.44 -1.067 0 N-CA-C 109.682 -1.367 . . . . 0.0 109.682 -179.642 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' L' L ' 24' ' ' PHE . . . . . 0.761 ' CE1' ' HB3' ' L' ' 16' ' ' TYR . 10.5 p90 -159.68 159.74 33.33 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 117.497 0.649 . . . . 0.0 111.361 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' L' L ' 25' ' ' PHE . . . . . 0.54 ' HD1' ' HD1' ' J' ' 25' ' ' PHE . 15.5 m-85 -103.1 104.79 14.99 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.11 -0.95 . . . . 0.0 108.828 179.541 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' L' L ' 26' ' ' TYR . . . . . 0.453 ' OH ' ' HA3' ' L' ' 8' ' ' GLY . 78.1 t80 -102.05 131.08 48.72 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 120.238 -0.585 . . . . 0.0 110.921 -179.362 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' L' L ' 27' ' ' THR . . . . . 0.436 ' C ' ' H ' ' L' ' 29' ' ' LYS . 8.0 p -122.18 96.91 46.01 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.255 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' L' L ' 28' ' ' PRO . . . . . 0.903 ' HG3' ' HB2' ' J' ' 16' ' ' TYR . 98.6 Cg_endo -77.2 33.95 0.45 Allowed 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 123.136 2.557 . . . . 0.0 111.543 179.035 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' L' L ' 29' ' ' LYS . . . . . 0.436 ' H ' ' C ' ' L' ' 27' ' ' THR . 86.8 tttt -104.5 134.95 46.83 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.27 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' L' L ' 30' ' ' THR . . . . . . . . . . . . . 25.4 m . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.392 -0.813 . . . . 0.0 109.764 -179.6 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' IPH . . . . . 0.748 ' H3 ' HD13 ' H' ' 17' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 22' ' ' IPH . . . . . 0.758 ' H3 ' HD13 ' J' ' 17' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 22' ' ' IPH . . . . . 0.753 ' H3 ' HD13 ' L' ' 17' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 22' ' ' IPH . . . . . 0.744 ' H3 ' HD13 ' B' ' 17' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 22' ' ' IPH . . . . . 0.757 ' H3 ' HD13 ' D' ' 17' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 22' ' ' IPH . . . . . 0.741 ' H3 ' HD13 ' F' ' 17' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.704 ' O ' ' HB3' ' A' ' 5' ' ' GLN . . . . . . . . 0 N--CA 1.476 1.364 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.2 tt -91.67 -10.96 9.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 121.231 0.539 . . . . 0.0 111.406 -178.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.527 HG23 ' HA ' ' B' ' 28' ' ' PRO . 20.0 t -96.87 -86.06 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -179.211 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -60.21 -41.13 92.36 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 -177.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.704 ' HB3' ' O ' ' A' ' 1' ' ' GLY . 23.1 tt0 -62.11 -30.56 71.1 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.663 0.268 . . . . 0.0 110.89 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 90.6 m -105.64 10.28 32.97 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -179.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 17.4 t -133.4 39.75 3.21 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.573 0.702 . . . . 0.0 110.497 179.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -125.26 -46.12 1.8 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.615 178.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.441 ' O ' ' HB ' ' A' ' 10' ' ' ILE . 15.3 t -150.06 19.87 0.87 Allowed 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 179.462 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.504 ' HA ' ' O1 ' ' A' ' 22' ' ' IPH . 2.8 mp 74.97 125.31 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.225 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.1 m -75.98 162.61 27.93 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.48 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 41.4 p -89.7 162.76 15.41 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.392 178.214 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.874 HD12 HD12 ' G' ' 13' ' ' LEU . 3.0 tt -57.74 -41.79 82.56 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.968 -179.33 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -64.38 -34.96 79.37 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.07 -0.514 . . . . 0.0 112.24 -178.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -69.37 -39.74 77.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.043 0.449 . . . . 0.0 110.876 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.575 HD21 HD22 ' B' ' 15' ' ' LEU . 86.5 mt -73.85 -23.42 59.61 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.561 -179.325 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -59.34 -33.05 70.67 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -178.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 21.3 p30 -91.69 12.53 20.9 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.878 0.371 . . . . 0.0 111.898 -179.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 15.8 m-30 -107.8 17.6 22.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.353 0.597 . . . . 0.0 110.434 179.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 59.1 m -93.22 175.21 6.86 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.59 179.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.528 ' HB2' ' HB3' ' B' ' 22' ' ' ARG . 4.2 m120 . . . . . 0 C--O 1.242 0.673 0 CA-C-O 118.525 -0.75 . . . . 0.0 110.03 178.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 36.5 t80 . . . . . 0 N--CA 1.48 1.034 0 CA-C-O 120.729 0.299 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 12.3 p -83.73 62.56 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 CA-C-O 122.518 1.151 . . . . 0.0 111.411 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -152.78 -50.46 0.1 Allowed 'General case' 0 C--O 1.216 -0.703 0 CA-C-N 115.047 -0.979 . . . . 0.0 108.656 178.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -49.96 -52.17 35.73 Favored 'General case' 0 N--CA 1.464 0.273 0 O-C-N 123.811 0.694 . . . . 0.0 111.827 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . 0.602 ' CE1' HD23 ' D' ' 17' ' ' LEU . 67.4 t60 -59.7 -39.17 83.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.786 0.327 . . . . 0.0 111.043 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 mt -78.95 -23.49 44.54 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.588 0.709 . . . . 0.0 110.1 -179.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 41.3 t -75.65 -47.05 28.02 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.454 -1.248 . . . . 0.0 110.511 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . 0.536 ' HA2' ' HG ' ' B' ' 11' ' ' LEU . . . -56.97 -32.62 62.67 Favored Glycine 0 N--CA 1.451 -0.317 0 CA-C-N 115.785 -0.643 . . . . 0.0 113.725 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' SER . . . . . 0.492 ' HB2' ' HE1' ' J' ' 10' ' ' HIS . 0.7 OUTLIER -65.89 -1.68 3.18 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.849 0.356 . . . . 0.0 111.772 -179.703 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . 0.497 ' HE1' ' HB2' ' F' ' 9' ' ' SER . 92.0 m-70 -109.92 -35.86 6.04 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 178.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.536 ' HG ' ' HA2' ' B' ' 8' ' ' GLY . 0.7 OUTLIER -66.5 -28.51 68.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.715 179.546 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.656 HG13 HG13 ' D' ' 12' ' ' VAL . 16.3 m -56.24 -48.65 79.16 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.605 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.969 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.478 ' N ' HG21 ' B' ' 12' ' ' VAL . 45.5 mm-40 -56.5 -51.08 69.84 Favored 'General case' 0 N--CA 1.464 0.231 0 O-C-N 123.219 0.324 . . . . 0.0 111.086 179.507 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . 0.731 ' HB1' ' H5 ' ' A' ' 22' ' ' IPH . . . -52.17 -52.03 54.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.247 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.575 HD22 HD21 ' A' ' 16' ' ' LEU . 76.2 mt -69.24 -33.71 73.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.331 0.586 . . . . 0.0 110.722 179.451 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . 0.653 ' HB2' ' O ' ' B' ' 12' ' ' VAL . 0.6 OUTLIER -67.05 -20.56 65.85 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.177 -179.188 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.586 HD23 ' CE1' ' D' ' 5' ' ' HIS . 0.5 OUTLIER -89.05 -47.96 7.75 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 178.559 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 62.0 t -69.12 -46.88 77.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.898 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 1.6 m -101.26 32.49 3.25 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.367 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.92 -38.34 93.97 Favored Glycine 0 N--CA 1.451 -0.362 0 CA-C-N 116.148 -0.478 . . . . 0.0 114.285 -178.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -90.21 6.72 41.54 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 117.242 0.521 . . . . 0.0 112.122 -178.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . 0.528 ' HB3' ' HB2' ' A' ' 21' ' ' ASN . 93.8 mtt180 -125.84 -79.18 0.6 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.745 0.783 . . . . 0.0 110.147 178.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 148.32 175.78 21.22 Favored Glycine 0 N--CA 1.439 -1.16 0 CA-C-N 114.373 -1.285 . . . . 0.0 109.983 -179.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 20.3 p90 -140.4 143.05 35.45 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.341 0.591 . . . . 0.0 110.876 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -97.29 106.0 18.25 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 179.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.45 ' CE2' ' HG3' ' B' ' 28' ' ' PRO . 38.3 t80 -97.65 96.71 8.46 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.973 -178.419 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 38.5 m -115.54 97.57 48.93 Favored Pre-proline 0 C--N 1.318 -0.782 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.23 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . 0.527 ' HA ' HG23 ' A' ' 3' ' ' VAL . 16.7 Cg_exo -67.52 -20.47 47.58 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 123.07 2.513 . . . . 0.0 111.816 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.467 ' HZ3' ' HB3' ' B' ' 29' ' ' LYS . 0.0 OUTLIER -69.22 112.67 5.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.396 179.733 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 1.8 p . . . . . 0 C--O 1.247 0.97 0 CA-C-O 119.207 -0.425 . . . . 0.0 110.418 179.725 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 1' ' ' GLY . . . . . 0.692 ' O ' ' HB3' ' C' ' 5' ' ' GLN . . . . . . . . 0 N--CA 1.478 1.486 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 13.6 tt -90.85 -10.63 10.0 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-O 121.412 0.625 . . . . 0.0 111.447 -178.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 3' ' ' VAL . . . . . 0.527 HG23 ' HA ' ' D' ' 28' ' ' PRO . 19.1 t -96.88 -86.49 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -178.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -60.4 -40.66 91.76 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.678 0.621 . . . . 0.0 112.678 -178.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 5' ' ' GLN . . . . . 0.692 ' HB3' ' O ' ' C' ' 1' ' ' GLY . 21.3 tt0 -62.23 -31.38 71.92 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 121.159 -0.216 . . . . 0.0 110.788 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 91.5 m -104.83 9.67 34.74 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -179.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 7' ' ' CYS . . . . . . . . . . . . . 16.8 t -132.59 40.48 3.27 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.58 0.705 . . . . 0.0 110.469 179.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -125.75 -47.21 1.69 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.281 178.736 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 9' ' ' SER . . . . . 0.415 ' O ' ' HB ' ' C' ' 10' ' ' ILE . 18.6 t -149.16 21.48 0.96 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.315 179.322 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . 0.493 ' HA ' ' O1 ' ' C' ' 22' ' ' IPH . 2.9 mp 73.64 125.23 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.36 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 2.8 m -76.02 164.17 26.42 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.482 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 35.9 p -91.13 162.66 14.58 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 178.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 13' ' ' LEU . . . . . 0.907 HD12 HD12 ' I' ' 13' ' ' LEU . 3.0 tt -57.78 -41.78 82.78 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.044 0.45 . . . . 0.0 111.024 -179.205 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -63.97 -35.66 81.42 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.931 -0.577 . . . . 0.0 112.257 -179.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -68.88 -39.64 79.67 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.018 0.437 . . . . 0.0 110.884 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 16' ' ' LEU . . . . . 0.56 HD21 HD22 ' D' ' 15' ' ' LEU . 84.6 mt -73.95 -22.73 59.54 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.562 -179.501 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -60.55 -31.83 70.92 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -178.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 22.0 p30 -93.08 14.66 17.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.015 0.436 . . . . 0.0 111.467 -179.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 15.8 m-30 -110.33 19.38 18.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.303 0.573 . . . . 0.0 110.369 179.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 58.3 m -94.96 175.67 6.55 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.514 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 21' ' ' ASN . . . . . 0.543 ' HB2' ' HB3' ' D' ' 22' ' ' ARG . 4.3 m120 . . . . . 0 C--O 1.247 0.929 0 CA-C-O 118.29 -0.862 . . . . 0.0 110.185 178.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 35.8 t80 . . . . . 0 N--CA 1.484 1.232 0 CA-C-O 120.735 0.302 . . . . 0.0 111.306 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 2' ' ' VAL . . . . . . . . . . . . . 10.7 p -83.16 63.8 0.37 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 CA-C-O 122.492 1.139 . . . . 0.0 111.077 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 3' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -154.59 -50.66 0.09 Allowed 'General case' 0 C--O 1.214 -0.783 0 CA-C-N 115.097 -0.956 . . . . 0.0 108.494 178.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -49.76 -52.56 30.91 Favored 'General case' 0 N--CA 1.465 0.3 0 O-C-N 123.751 0.657 . . . . 0.0 111.658 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 5' ' ' HIS . . . . . 0.586 ' CE1' HD23 ' B' ' 17' ' ' LEU . 63.8 t60 -58.91 -40.25 83.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.793 0.33 . . . . 0.0 111.077 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 6' ' ' LEU . . . . . 0.4 HD12 ' HA ' ' H' ' 7' ' ' CYS . 3.8 mt -78.56 -21.46 48.68 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.455 0.645 . . . . 0.0 110.231 -179.286 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 7' ' ' CYS . . . . . . . . . . . . . 39.0 t -78.0 -46.75 20.18 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.72 -1.127 . . . . 0.0 110.291 -179.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 8' ' ' GLY . . . . . 0.529 ' HA2' ' HG ' ' D' ' 11' ' ' LEU . . . -57.3 -32.12 63.38 Favored Glycine 0 N--CA 1.45 -0.421 0 CA-C-N 115.758 -0.655 . . . . 0.0 113.669 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 9' ' ' SER . . . . . 0.526 ' HB2' ' HE1' ' H' ' 10' ' ' HIS . 0.7 OUTLIER -66.63 0.3 2.39 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.009 0.433 . . . . 0.0 111.86 -179.777 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D ' 10' ' ' HIS . . . . . 0.511 ' HE1' ' HB2' ' L' ' 9' ' ' SER . 91.5 m-70 -111.51 -36.34 5.54 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 178.644 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 11' ' ' LEU . . . . . 0.529 ' HG ' ' HA2' ' D' ' 8' ' ' GLY . 0.7 OUTLIER -66.45 -27.92 68.19 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.71 179.465 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . 0.656 HG13 HG13 ' B' ' 12' ' ' VAL . 16.0 m -56.7 -48.58 80.59 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.603 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.918 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 13' ' ' GLU . . . . . 0.466 ' N ' HG21 ' D' ' 12' ' ' VAL . 45.3 mm-40 -56.36 -51.33 68.7 Favored 'General case' 0 N--CA 1.464 0.235 0 O-C-N 123.247 0.342 . . . . 0.0 111.154 179.427 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 14' ' ' ALA . . . . . 0.732 ' HB1' ' H5 ' ' C' ' 22' ' ' IPH . . . -52.46 -51.3 60.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.412 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 15' ' ' LEU . . . . . 0.56 HD22 HD21 ' C' ' 16' ' ' LEU . 76.7 mt -69.68 -33.35 72.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.32 0.581 . . . . 0.0 110.669 179.292 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 16' ' ' TYR . . . . . 0.644 ' HB2' ' O ' ' D' ' 12' ' ' VAL . 0.6 OUTLIER -67.65 -20.02 65.27 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.007 -179.104 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . 0.602 HD23 ' CE1' ' B' ' 5' ' ' HIS . 0.5 OUTLIER -89.28 -48.53 7.3 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.027 0.442 . . . . 0.0 109.865 178.565 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 60.4 t -68.47 -47.01 79.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.996 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 19' ' ' CYS . . . . . . . . . . . . . 1.6 m -101.55 32.94 3.13 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.528 -179.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.27 -37.9 93.73 Favored Glycine 0 CA--C 1.517 0.191 0 CA-C-N 115.997 -0.547 . . . . 0.0 114.214 -178.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -90.9 7.47 39.91 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 117.049 0.424 . . . . 0.0 112.12 -178.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 22' ' ' ARG . . . . . 0.543 ' HB3' ' HB2' ' C' ' 21' ' ' ASN . 94.2 mtt180 -126.94 -77.51 0.58 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.862 0.839 . . . . 0.0 110.373 178.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 23' ' ' GLY . . . . . . . . . . . . . . . 146.14 175.81 19.48 Favored Glycine 0 N--CA 1.438 -1.172 0 CA-C-N 114.398 -1.274 . . . . 0.0 110.18 -178.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 24' ' ' PHE . . . . . . . . . . . . . 18.8 p90 -140.99 143.05 34.24 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.241 0.544 . . . . 0.0 110.928 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 25' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -97.25 105.46 17.61 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 26' ' ' TYR . . . . . 0.422 ' CE2' ' HG3' ' D' ' 28' ' ' PRO . 37.8 t80 -97.15 96.86 8.73 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.543 -0.463 . . . . 0.0 111.135 -178.496 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 27' ' ' THR . . . . . . . . . . . . . 39.0 m -115.74 97.7 49.46 Favored Pre-proline 0 C--N 1.32 -0.692 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.303 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 28' ' ' PRO . . . . . 0.527 ' HA ' HG23 ' C' ' 3' ' ' VAL . 16.5 Cg_exo -67.32 -21.03 48.17 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 123.2 2.6 . . . . 0.0 111.766 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 29' ' ' LYS . . . . . 0.534 ' HB3' ' HZ3' ' D' ' 29' ' ' LYS . 0.0 OUTLIER -67.87 113.42 5.59 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.454 179.413 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 C--O 1.249 1.068 0 CA-C-O 119.075 -0.488 . . . . 0.0 110.369 -179.914 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' E' E ' 1' ' ' GLY . . . . . 0.705 ' O ' ' HB3' ' E' ' 5' ' ' GLN . . . . . . . . 0 N--CA 1.482 1.752 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 2' ' ' ILE . . . . . . . . . . . . . 14.6 tt -91.25 -14.41 8.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-O 121.097 0.475 . . . . 0.0 110.993 -178.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 3' ' ' VAL . . . . . 0.553 HG23 ' HA ' ' F' ' 28' ' ' PRO . 19.4 t -93.6 -87.41 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 112.419 0.525 . . . . 0.0 112.419 -179.311 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 4' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -59.44 -41.15 88.95 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -177.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 5' ' ' GLN . . . . . 0.705 ' HB3' ' O ' ' E' ' 1' ' ' GLY . 22.5 tt0 -61.21 -32.15 71.92 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.665 0.269 . . . . 0.0 110.866 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 6' ' ' CYS . . . . . . . . . . . . . 86.1 m -104.28 10.12 35.7 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -179.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 7' ' ' CYS . . . . . . . . . . . . . 19.4 t -132.92 39.53 3.3 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.492 0.663 . . . . 0.0 110.269 179.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -124.55 -47.89 1.83 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.197 178.659 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 9' ' ' SER . . . . . 0.43 ' O ' ' HB ' ' E' ' 10' ' ' ILE . 20.6 t -148.32 21.36 1.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.868 0.366 . . . . 0.0 110.26 179.174 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 10' ' ' ILE . . . . . 0.504 ' HA ' ' O1 ' ' E' ' 22' ' ' IPH . 2.8 mp 74.4 123.89 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.438 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 11' ' ' CYS . . . . . . . . . . . . . 3.3 m -74.48 163.57 27.6 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.422 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 12' ' ' SER . . . . . . . . . . . . . 33.1 p -90.93 162.05 14.92 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 178.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 13' ' ' LEU . . . . . 0.873 HD12 HD12 ' K' ' 13' ' ' LEU . 3.0 tt -56.71 -42.68 79.58 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.202 -179.206 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -62.97 -36.9 85.04 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.936 -179.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -67.35 -40.22 85.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.968 0.413 . . . . 0.0 111.14 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 16' ' ' LEU . . . . . 0.575 HD21 HD22 ' F' ' 15' ' ' LEU . 84.3 mt -74.02 -21.89 59.79 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.577 -179.378 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 17' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -60.65 -33.27 72.56 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 112.127 0.418 . . . . 0.0 112.127 -178.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 18' ' ' ASN . . . . . . . . . . . . . 21.1 p30 -91.55 13.07 18.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.87 0.367 . . . . 0.0 111.678 -179.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 19' ' ' TYR . . . . . . . . . . . . . 16.2 m-30 -108.08 18.24 21.4 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.318 0.58 . . . . 0.0 110.349 179.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 20' ' ' CYS . . . . . . . . . . . . . 58.3 m -93.84 175.81 6.58 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.589 179.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 21' ' ' ASN . . . . . 0.523 ' HB2' ' HB3' ' F' ' 22' ' ' ARG . 4.0 m120 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.445 -0.788 . . . . 0.0 110.291 179.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 1' ' ' PHE . . . . . . . . . . . . . 36.6 t80 . . . . . 0 N--CA 1.481 1.083 0 CA-C-O 120.883 0.373 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' F' F ' 2' ' ' VAL . . . . . . . . . . . . . 11.2 p -82.21 63.35 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 CA-C-O 122.579 1.18 . . . . 0.0 111.204 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 3' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -153.96 -50.73 0.09 Allowed 'General case' 0 C--O 1.214 -0.807 0 CA-C-N 115.069 -0.968 . . . . 0.0 108.463 178.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 4' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -49.51 -52.4 29.79 Favored 'General case' 0 N--CA 1.462 0.156 0 O-C-N 123.679 0.612 . . . . 0.0 111.836 179.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 5' ' ' HIS . . . . . 0.598 ' CE1' HD23 ' H' ' 17' ' ' LEU . 64.8 t60 -59.07 -40.06 84.03 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.794 0.331 . . . . 0.0 111.093 -179.686 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' F' F ' 6' ' ' LEU . . . . . . . . . . . . . 4.1 mt -78.97 -22.06 46.18 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.551 0.691 . . . . 0.0 110.068 -178.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 7' ' ' CYS . . . . . 0.417 ' HA ' HD12 ' J' ' 6' ' ' LEU . 39.9 t -77.21 -46.78 22.12 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.643 -1.162 . . . . 0.0 110.207 -179.495 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' F' F ' 8' ' ' GLY . . . . . 0.536 ' HA2' ' HG ' ' F' ' 11' ' ' LEU . . . -57.19 -32.29 63.16 Favored Glycine 0 N--CA 1.452 -0.26 0 CA-C-N 115.778 -0.647 . . . . 0.0 113.776 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' F' F ' 9' ' ' SER . . . . . 0.497 ' HB2' ' HE1' ' B' ' 10' ' ' HIS . 0.7 OUTLIER -66.1 -1.64 3.38 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.937 0.399 . . . . 0.0 111.681 -179.6 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' F' F ' 10' ' ' HIS . . . . . 0.5 ' HE1' ' HB2' ' J' ' 9' ' ' SER . 91.8 m-70 -109.66 -36.15 6.02 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 178.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' F' F ' 11' ' ' LEU . . . . . 0.536 ' HG ' ' HA2' ' F' ' 8' ' ' GLY . 0.6 OUTLIER -66.52 -27.88 68.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.769 179.561 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' F' F ' 12' ' ' VAL . . . . . 0.645 HG13 HG13 ' H' ' 12' ' ' VAL . 16.3 m -56.73 -48.73 80.45 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.684 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.803 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' F' F ' 13' ' ' GLU . . . . . 0.476 ' N ' HG21 ' F' ' 12' ' ' VAL . 45.3 mm-40 -56.22 -51.49 67.88 Favored 'General case' 0 N--CA 1.464 0.227 0 O-C-N 123.257 0.348 . . . . 0.0 111.049 179.502 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' F' F ' 14' ' ' ALA . . . . . 0.716 ' HB1' ' H5 ' ' E' ' 22' ' ' IPH . . . -52.3 -51.66 57.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.261 -179.734 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' F' F ' 15' ' ' LEU . . . . . 0.575 HD22 HD21 ' E' ' 16' ' ' LEU . 77.4 mt -69.32 -33.33 72.98 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.384 0.612 . . . . 0.0 110.789 179.283 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' F' F ' 16' ' ' TYR . . . . . 0.636 ' HB2' ' O ' ' F' ' 12' ' ' VAL . 0.6 OUTLIER -67.37 -20.65 65.59 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.99 -179.115 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' F' F ' 17' ' ' LEU . . . . . 0.57 HD23 ' CE1' ' H' ' 5' ' ' HIS . 0.5 OUTLIER -89.18 -46.96 8.41 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.144 0.497 . . . . 0.0 110.135 178.747 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 60.6 t -70.54 -43.84 77.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.132 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 m -104.66 33.24 3.66 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.117 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.96 -35.05 90.82 Favored Glycine 0 CA--C 1.516 0.099 0 N-CA-C 114.55 0.58 . . . . 0.0 114.55 -178.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 21' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -93.21 7.97 42.12 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 117.104 0.452 . . . . 0.0 112.081 -179.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 22' ' ' ARG . . . . . 0.523 ' HB3' ' HB2' ' E' ' 21' ' ' ASN . 94.3 mtt180 -127.57 -78.99 0.58 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.779 0.8 . . . . 0.0 109.959 178.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' F' F ' 23' ' ' GLY . . . . . . . . . . . . . . . 148.26 175.83 21.22 Favored Glycine 0 N--CA 1.441 -1.014 0 CA-C-N 114.368 -1.287 . . . . 0.0 110.215 -179.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 24' ' ' PHE . . . . . . . . . . . . . 18.7 p90 -140.76 142.89 34.69 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 121.222 0.535 . . . . 0.0 110.737 179.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 25' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -97.2 106.77 19.16 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 179.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 26' ' ' TYR . . . . . 0.44 ' CE2' ' HG3' ' F' ' 28' ' ' PRO . 38.8 t80 -98.64 96.36 7.89 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.932 -178.414 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' F' F ' 27' ' ' THR . . . . . . . . . . . . . 38.9 m -115.28 97.92 49.38 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.444 179.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 28' ' ' PRO . . . . . 0.553 ' HA ' HG23 ' E' ' 3' ' ' VAL . 16.7 Cg_exo -67.72 -20.28 46.53 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 123.244 2.629 . . . . 0.0 111.727 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' F' F ' 29' ' ' LYS . . . . . 0.471 ' HB3' ' HZ3' ' F' ' 29' ' ' LYS . 0.0 OUTLIER -68.38 112.97 5.56 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.336 179.315 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' F' F ' 30' ' ' THR . . . . . . . . . . . . . 1.1 p . . . . . 0 C--O 1.248 0.986 0 CA-C-O 118.994 -0.527 . . . . 0.0 109.746 179.563 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' G' G ' 1' ' ' GLY . . . . . 0.678 ' O ' ' HB3' ' G' ' 5' ' ' GLN . . . . . . . . 0 N--CA 1.481 1.635 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 2' ' ' ILE . . . . . . . . . . . . . 13.0 tt -92.92 -11.5 9.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-O 121.515 0.674 . . . . 0.0 111.164 -178.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 3' ' ' VAL . . . . . 0.519 HG23 ' HA ' ' H' ' 28' ' ' PRO . 18.8 t -95.95 -87.71 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.138 -0.483 . . . . 0.0 112.028 -179.195 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' G' G ' 4' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -59.54 -40.97 88.94 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -178.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 5' ' ' GLN . . . . . 0.678 ' HB3' ' O ' ' G' ' 1' ' ' GLY . 20.7 tt0 -61.16 -31.7 71.43 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 121.107 -0.237 . . . . 0.0 110.674 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' G' G ' 6' ' ' CYS . . . . . . . . . . . . . 88.0 m -104.82 9.97 34.66 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -179.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 7' ' ' CYS . . . . . . . . . . . . . 17.1 t -132.62 39.24 3.37 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.524 0.678 . . . . 0.0 110.459 179.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -124.88 -45.96 1.86 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.462 178.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' G' G ' 9' ' ' SER . . . . . 0.406 ' O ' ' HB ' ' G' ' 10' ' ' ILE . 19.0 t -150.38 21.6 0.83 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.979 0.419 . . . . 0.0 110.259 179.387 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' G' G ' 10' ' ' ILE . . . . . 0.483 ' HA ' ' O1 ' ' G' ' 22' ' ' IPH . 2.8 mp 73.54 125.51 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.53 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' G' G ' 11' ' ' CYS . . . . . . . . . . . . . 3.3 m -76.57 162.69 27.57 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.481 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 12' ' ' SER . . . . . . . . . . . . . 43.7 p -90.01 161.89 15.64 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.471 178.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 13' ' ' LEU . . . . . 0.874 HD12 HD12 ' A' ' 13' ' ' LEU . 3.0 tt -57.07 -41.15 78.28 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.15 -179.027 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -64.84 -35.29 80.64 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.074 -0.512 . . . . 0.0 112.088 -179.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -68.81 -40.45 79.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.989 0.423 . . . . 0.0 110.78 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 16' ' ' LEU . . . . . 0.592 HD21 HD22 ' H' ' 15' ' ' LEU . 86.6 mt -73.24 -22.68 60.37 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.859 -179.381 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' G' G ' 17' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -60.64 -32.71 71.86 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -178.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 18' ' ' ASN . . . . . . . . . . . . . 20.5 p30 -92.36 15.15 14.52 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.938 0.399 . . . . 0.0 111.573 -179.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 19' ' ' TYR . . . . . . . . . . . . . 15.4 m-30 -110.24 18.38 19.97 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.336 0.588 . . . . 0.0 110.242 179.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 20' ' ' CYS . . . . . . . . . . . . . 57.8 m -94.0 175.52 6.68 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.52 179.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 21' ' ' ASN . . . . . 0.496 ' HB2' ' HB3' ' H' ' 22' ' ' ARG . 4.7 m120 . . . . . 0 C--O 1.245 0.85 0 CA-C-O 118.75 -0.643 . . . . 0.0 109.676 178.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 1' ' ' PHE . . . . . . . . . . . . . 35.3 t80 . . . . . 0 N--CA 1.483 1.177 0 CA-C-O 120.766 0.317 . . . . 0.0 111.45 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' H' H ' 2' ' ' VAL . . . . . . . . . . . . . 11.1 p -83.18 64.01 0.38 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 CA-C-O 122.616 1.198 . . . . 0.0 111.022 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 3' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -154.09 -51.15 0.09 Allowed 'General case' 0 C--O 1.215 -0.736 0 CA-C-N 114.899 -1.046 . . . . 0.0 108.466 178.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 4' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -49.34 -52.73 26.19 Favored 'General case' 0 N--CA 1.463 0.212 0 O-C-N 123.807 0.692 . . . . 0.0 111.8 179.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 5' ' ' HIS . . . . . 0.57 ' CE1' HD23 ' F' ' 17' ' ' LEU . 64.3 t60 -58.78 -40.48 84.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.861 0.363 . . . . 0.0 111.176 -179.576 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' H' H ' 6' ' ' LEU . . . . . . . . . . . . . 4.2 mt -77.81 -23.53 49.05 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.452 0.644 . . . . 0.0 110.215 -179.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 7' ' ' CYS . . . . . 0.4 ' HA ' HD12 ' D' ' 6' ' ' LEU . 42.2 t -76.02 -46.99 26.59 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 114.709 -1.132 . . . . 0.0 110.527 -179.537 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' H' H ' 8' ' ' GLY . . . . . 0.547 ' HA2' ' HG ' ' H' ' 11' ' ' LEU . . . -57.09 -32.36 62.87 Favored Glycine 0 N--CA 1.453 -0.206 0 CA-C-N 115.669 -0.696 . . . . 0.0 113.779 -179.734 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' H' H ' 9' ' ' SER . . . . . 0.5 ' HB2' ' HE1' ' L' ' 10' ' ' HIS . 0.7 OUTLIER -65.86 -2.25 3.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.988 0.423 . . . . 0.0 111.756 -179.667 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' H' H ' 10' ' ' HIS . . . . . 0.526 ' HE1' ' HB2' ' D' ' 9' ' ' SER . 92.2 m-70 -109.33 -35.88 6.16 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 178.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' H' H ' 11' ' ' LEU . . . . . 0.547 ' HG ' ' HA2' ' H' ' 8' ' ' GLY . 0.7 OUTLIER -66.52 -28.58 68.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.653 179.477 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' H' H ' 12' ' ' VAL . . . . . 0.645 HG13 HG13 ' F' ' 12' ' ' VAL . 16.4 m -56.07 -49.17 77.19 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.633 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' H' H ' 13' ' ' GLU . . . . . 0.475 ' N ' HG21 ' H' ' 12' ' ' VAL . 44.9 mm-40 -55.82 -51.42 67.55 Favored 'General case' 0 N--CA 1.464 0.259 0 O-C-N 123.293 0.37 . . . . 0.0 111.235 179.392 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' H' H ' 14' ' ' ALA . . . . . 0.708 ' HB1' ' H5 ' ' G' ' 22' ' ' IPH . . . -52.47 -51.07 61.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.473 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' H' H ' 15' ' ' LEU . . . . . 0.592 HD22 HD21 ' G' ' 16' ' ' LEU . 75.8 mt -70.07 -32.88 71.18 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.44 0.638 . . . . 0.0 110.774 179.326 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' H' H ' 16' ' ' TYR . . . . . 0.637 ' HB2' ' O ' ' H' ' 12' ' ' VAL . 0.6 OUTLIER -67.8 -20.6 65.21 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.003 -179.158 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' H' H ' 17' ' ' LEU . . . . . 0.598 HD23 ' CE1' ' F' ' 5' ' ' HIS . 0.6 OUTLIER -88.99 -48.61 7.31 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 178.528 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 59.1 t -68.33 -45.22 82.91 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.326 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 19' ' ' CYS . . . . . . . . . . . . . 1.6 m -103.36 32.32 3.86 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.337 -179.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.89 -37.27 92.32 Favored Glycine 0 CA--C 1.519 0.29 0 CA-C-N 115.882 -0.599 . . . . 0.0 114.573 -178.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 21' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -92.12 7.61 41.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 117.151 0.476 . . . . 0.0 111.908 -178.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 22' ' ' ARG . . . . . 0.496 ' HB3' ' HB2' ' G' ' 21' ' ' ASN . 93.5 mtt180 -126.33 -79.38 0.6 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.691 0.758 . . . . 0.0 110.164 178.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' H' H ' 23' ' ' GLY . . . . . . . . . . . . . . . 148.22 176.58 21.82 Favored Glycine 0 N--CA 1.44 -1.074 0 CA-C-N 114.467 -1.242 . . . . 0.0 110.211 -179.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 24' ' ' PHE . . . . . . . . . . . . . 19.2 p90 -141.73 142.92 33.29 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.19 0.519 . . . . 0.0 110.868 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 25' ' ' PHE . . . . . . . . . . . . . 2.2 p90 -97.32 106.46 18.78 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 179.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 26' ' ' TYR . . . . . 0.444 ' CE2' ' HG3' ' H' ' 28' ' ' PRO . 39.0 t80 -98.17 96.24 7.96 Favored 'General case' 0 C--N 1.318 -0.773 0 C-N-CA 120.574 -0.45 . . . . 0.0 111.095 -178.475 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' H' H ' 27' ' ' THR . . . . . . . . . . . . . 37.0 m -115.01 98.08 49.43 Favored Pre-proline 0 C--N 1.319 -0.725 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.231 179.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 28' ' ' PRO . . . . . 0.519 ' HA ' HG23 ' G' ' 3' ' ' VAL . 15.7 Cg_exo -67.86 -19.98 45.99 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 123.153 2.568 . . . . 0.0 111.749 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' H' H ' 29' ' ' LYS . . . . . 0.457 ' HB3' ' HZ3' ' H' ' 29' ' ' LYS . 0.0 OUTLIER -68.92 113.05 5.98 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 179.483 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' H' H ' 30' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 C--O 1.249 1.037 0 CA-C-O 119.081 -0.485 . . . . 0.0 110.241 179.899 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' I' I ' 1' ' ' GLY . . . . . 0.714 ' O ' ' HB3' ' I' ' 5' ' ' GLN . . . . . . . . 0 N--CA 1.483 1.773 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 2' ' ' ILE . . . . . . . . . . . . . 13.5 tt -91.53 -12.18 9.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-O 121.138 0.494 . . . . 0.0 111.364 -178.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 3' ' ' VAL . . . . . 0.515 HG23 ' HA ' ' J' ' 28' ' ' PRO . 20.6 t -95.33 -86.72 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -179.234 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' I' I ' 4' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -60.32 -41.46 93.55 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 -178.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 5' ' ' GLN . . . . . 0.714 ' HB3' ' O ' ' I' ' 1' ' ' GLY . 21.1 tt0 -60.8 -31.43 70.81 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.553 0.216 . . . . 0.0 110.768 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' I' I ' 6' ' ' CYS . . . . . . . . . . . . . 89.1 m -104.92 9.9 34.47 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 7' ' ' CYS . . . . . . . . . . . . . 17.4 t -133.22 40.64 3.17 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.521 0.676 . . . . 0.0 110.468 179.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -125.86 -46.44 1.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.292 179.039 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' I' I ' 9' ' ' SER . . . . . 0.426 ' O ' ' HB ' ' I' ' 10' ' ' ILE . 14.1 t -150.35 21.57 0.84 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.0 179.29 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' I' I ' 10' ' ' ILE . . . . . 0.506 ' HA ' ' O1 ' ' I' ' 22' ' ' IPH . 2.8 mp 74.04 127.22 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.269 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' I' I ' 11' ' ' CYS . . . . . . . . . . . . . 2.3 m -77.74 163.89 25.74 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.328 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 12' ' ' SER . . . . . . . . . . . . . 24.5 p -91.02 161.96 14.91 Favored 'General case' 0 N--CA 1.445 -0.71 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 178.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 13' ' ' LEU . . . . . 0.907 HD12 HD12 ' C' ' 13' ' ' LEU . 3.1 tt -57.24 -41.7 80.07 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.158 -179.003 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -64.13 -35.87 82.18 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.071 -0.513 . . . . 0.0 112.019 -179.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -68.12 -40.27 82.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.004 0.431 . . . . 0.0 110.891 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 16' ' ' LEU . . . . . 0.573 HD21 HD22 ' J' ' 15' ' ' LEU . 82.7 mt -73.89 -22.71 59.61 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.529 -179.136 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' I' I ' 17' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -60.33 -31.79 70.62 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -178.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 18' ' ' ASN . . . . . . . . . . . . . 20.0 p30 -93.12 13.33 21.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.941 0.401 . . . . 0.0 111.671 -179.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 19' ' ' TYR . . . . . . . . . . . . . 16.2 m-30 -109.12 19.18 19.79 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.176 0.513 . . . . 0.0 110.352 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 20' ' ' CYS . . . . . . . . . . . . . 59.1 m -94.9 175.66 6.56 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.195 179.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 21' ' ' ASN . . . . . 0.513 ' HB2' ' HB3' ' J' ' 22' ' ' ARG . 4.6 m120 . . . . . 0 C--O 1.246 0.885 0 CA-C-O 118.792 -0.623 . . . . 0.0 109.613 178.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 1' ' ' PHE . . . . . . . . . . . . . 36.8 t80 . . . . . 0 N--CA 1.48 1.028 0 CA-C-O 120.639 0.257 . . . . 0.0 111.073 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' J' J ' 2' ' ' VAL . . . . . . . . . . . . . 13.1 p -81.86 63.12 0.31 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 CA-C-O 122.502 1.144 . . . . 0.0 110.977 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 3' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -153.44 -50.68 0.1 Allowed 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 178.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 4' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -49.76 -52.66 30.09 Favored 'General case' 0 N--CA 1.464 0.248 0 O-C-N 123.773 0.671 . . . . 0.0 111.814 179.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 5' ' ' HIS . . . . . 0.582 ' CE1' HD23 ' L' ' 17' ' ' LEU . 66.3 t60 -59.06 -39.76 83.07 Favored 'General case' 0 C--O 1.224 -0.284 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.071 -179.736 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' J' J ' 6' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' F' ' 7' ' ' CYS . 4.4 mt -78.52 -23.14 46.42 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.443 0.639 . . . . 0.0 110.138 -179.183 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' J' J ' 7' ' ' CYS . . . . . . . . . . . . . 38.7 t -76.12 -46.85 26.81 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.618 -1.174 . . . . 0.0 110.649 -179.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 8' ' ' GLY . . . . . 0.544 ' HA2' ' HG ' ' J' ' 11' ' ' LEU . . . -57.41 -32.07 63.75 Favored Glycine 0 N--CA 1.452 -0.24 0 CA-C-N 115.725 -0.67 . . . . 0.0 113.722 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' J' J ' 9' ' ' SER . . . . . 0.5 ' HB2' ' HE1' ' F' ' 10' ' ' HIS . 0.7 OUTLIER -66.18 -2.0 3.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.966 0.412 . . . . 0.0 111.698 -179.81 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' J' J ' 10' ' ' HIS . . . . . 0.492 ' HE1' ' HB2' ' B' ' 9' ' ' SER . 92.3 m-70 -109.35 -35.78 6.18 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 178.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' J' J ' 11' ' ' LEU . . . . . 0.544 ' HG ' ' HA2' ' J' ' 8' ' ' GLY . 0.7 OUTLIER -66.81 -28.43 68.36 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.685 179.64 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' J' J ' 12' ' ' VAL . . . . . 0.644 ' O ' ' HB2' ' J' ' 16' ' ' TYR . 16.8 m -56.16 -48.63 78.95 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.587 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.867 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' J' J ' 13' ' ' GLU . . . . . 0.473 ' N ' HG21 ' J' ' 12' ' ' VAL . 44.2 mm-40 -56.07 -51.73 66.8 Favored 'General case' 0 N--CA 1.465 0.297 0 O-C-N 123.243 0.34 . . . . 0.0 111.003 179.502 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' J' J ' 14' ' ' ALA . . . . . 0.724 ' HB1' ' H5 ' ' I' ' 22' ' ' IPH . . . -52.14 -51.57 57.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.353 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' J' J ' 15' ' ' LEU . . . . . 0.573 HD22 HD21 ' I' ' 16' ' ' LEU . 74.9 mt -69.88 -32.52 70.91 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.449 0.642 . . . . 0.0 110.822 179.48 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' J' J ' 16' ' ' TYR . . . . . 0.644 ' HB2' ' O ' ' J' ' 12' ' ' VAL . 0.6 OUTLIER -68.09 -19.94 64.89 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.06 -179.161 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' J' J ' 17' ' ' LEU . . . . . 0.615 HD23 ' CE1' ' L' ' 5' ' ' HIS . 0.5 OUTLIER -89.62 -48.24 7.42 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 178.481 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 61.6 t -69.26 -43.32 81.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.288 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 m -105.28 32.73 4.06 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.021 -179.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.33 -35.07 90.39 Favored Glycine 0 CA--C 1.519 0.299 0 CA-C-N 115.852 -0.613 . . . . 0.0 114.62 -178.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 21' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -92.63 4.78 52.99 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 117.515 0.657 . . . . 0.0 111.885 -178.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 22' ' ' ARG . . . . . 0.513 ' HB3' ' HB2' ' I' ' 21' ' ' ASN . 94.4 mtt180 -124.14 -78.7 0.6 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.734 0.778 . . . . 0.0 110.4 179.11 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' J' J ' 23' ' ' GLY . . . . . 0.4 ' HA3' ' HA ' ' L' ' 27' ' ' THR . . . 147.79 176.28 21.23 Favored Glycine 0 N--CA 1.44 -1.068 0 CA-C-N 114.413 -1.267 . . . . 0.0 110.181 -179.15 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' J' J ' 24' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -141.3 142.79 33.83 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.294 0.569 . . . . 0.0 110.97 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 25' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -97.09 106.05 18.31 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 179.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 26' ' ' TYR . . . . . 0.436 ' CE2' ' HG3' ' J' ' 28' ' ' PRO . 38.9 t80 -97.82 96.21 8.06 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 120.493 -0.483 . . . . 0.0 111.108 -178.334 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' J' J ' 27' ' ' THR . . . . . . . . . . . . . 46.0 m -115.19 97.7 48.76 Favored Pre-proline 0 C--N 1.321 -0.662 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.411 179.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 28' ' ' PRO . . . . . 0.515 ' HA ' HG23 ' I' ' 3' ' ' VAL . 16.7 Cg_exo -67.17 -19.94 50.25 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 123.281 2.654 . . . . 0.0 111.735 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' J' J ' 29' ' ' LYS . . . . . 0.506 ' HB3' ' HZ3' ' J' ' 29' ' ' LYS . 0.0 OUTLIER -69.5 112.72 6.21 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 179.394 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' J' J ' 30' ' ' THR . . . . . . . . . . . . . 1.4 p . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.932 -0.556 . . . . 0.0 110.548 179.979 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' K' K ' 1' ' ' GLY . . . . . 0.693 ' O ' ' HB3' ' K' ' 5' ' ' GLN . . . . . . . . 0 N--CA 1.485 1.912 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 2' ' ' ILE . . . . . . . . . . . . . 12.5 tt -93.14 -11.21 9.24 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 O-C-N 122.36 -0.494 . . . . 0.0 111.132 -178.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 3' ' ' VAL . . . . . 0.523 HG23 ' HA ' ' L' ' 28' ' ' PRO . 20.6 t -96.91 -85.65 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -179.373 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' K' K ' 4' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -60.9 -41.09 95.41 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -177.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 5' ' ' GLN . . . . . 0.693 ' HB3' ' O ' ' K' ' 1' ' ' GLY . 21.9 tt0 -61.22 -32.72 72.5 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.552 0.215 . . . . 0.0 110.681 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' K' K ' 6' ' ' CYS . . . . . . . . . . . . . 89.3 m -104.09 10.23 36.05 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.362 0.505 . . . . 0.0 112.362 -179.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 7' ' ' CYS . . . . . . . . . . . . . 17.6 t -133.13 39.96 3.24 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.541 0.686 . . . . 0.0 110.214 179.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -125.35 -45.35 1.82 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.459 178.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' K' K ' 9' ' ' SER . . . . . 0.419 ' O ' ' HB ' ' K' ' 10' ' ' ILE . 14.8 t -151.14 22.18 0.75 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.994 0.426 . . . . 0.0 109.884 179.231 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' K' K ' 10' ' ' ILE . . . . . 0.504 ' HA ' ' O1 ' ' K' ' 22' ' ' IPH . 2.8 mp 72.82 126.2 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.307 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' K' K ' 11' ' ' CYS . . . . . . . . . . . . . 2.3 m -76.83 163.75 26.48 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.594 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 12' ' ' SER . . . . . . . . . . . . . 46.9 p -91.75 160.61 15.25 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.565 178.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 13' ' ' LEU . . . . . 0.873 HD12 HD12 ' E' ' 13' ' ' LEU . 2.9 tt -55.25 -42.2 73.17 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.397 -178.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -64.21 -35.48 80.95 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.19 -0.459 . . . . 0.0 112.033 -179.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -68.79 -39.3 80.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.985 0.421 . . . . 0.0 111.103 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 16' ' ' LEU . . . . . 0.593 HD21 HD22 ' L' ' 15' ' ' LEU . 84.4 mt -74.33 -22.68 59.13 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.532 -179.398 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' K' K ' 17' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -60.06 -33.4 72.0 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -178.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 18' ' ' ASN . . . . . . . . . . . . . 20.7 p30 -91.37 12.6 19.98 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.919 0.39 . . . . 0.0 111.659 -179.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 19' ' ' TYR . . . . . . . . . . . . . 16.1 m-30 -107.81 18.44 21.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.326 0.584 . . . . 0.0 110.52 179.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 20' ' ' CYS . . . . . . . . . . . . . 57.4 m -93.87 175.53 6.69 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.531 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 21' ' ' ASN . . . . . 0.522 ' HB2' ' HB3' ' L' ' 22' ' ' ARG . 4.8 m120 . . . . . 0 C--O 1.246 0.887 0 CA-C-O 118.613 -0.708 . . . . 0.0 110.047 178.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 1' ' ' PHE . . . . . . . . . . . . . 37.2 t80 . . . . . 0 N--CA 1.482 1.162 0 CA-C-O 120.831 0.348 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' L' L ' 2' ' ' VAL . . . . . . . . . . . . . 10.4 p -81.69 63.6 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 CA-C-O 122.341 1.067 . . . . 0.0 111.236 179.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 3' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -154.3 -51.34 0.09 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.927 -1.033 . . . . 0.0 108.415 178.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 4' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -49.28 -52.22 28.88 Favored 'General case' 0 N--CA 1.464 0.242 0 O-C-N 123.814 0.696 . . . . 0.0 111.828 179.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 5' ' ' HIS . . . . . 0.615 ' CE1' HD23 ' J' ' 17' ' ' LEU . 66.0 t60 -59.35 -39.48 83.37 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-O 120.783 0.325 . . . . 0.0 111.211 -179.727 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' L' L ' 6' ' ' LEU . . . . . . . . . . . . . 4.5 mt -78.94 -23.36 44.69 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.623 0.725 . . . . 0.0 110.032 -178.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 7' ' ' CYS . . . . . . . . . . . . . 37.5 t -75.93 -47.14 26.39 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.587 -1.188 . . . . 0.0 110.478 -179.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 8' ' ' GLY . . . . . 0.54 ' HA2' ' HG ' ' L' ' 11' ' ' LEU . . . -57.0 -31.87 61.96 Favored Glycine 0 C--N 1.331 0.277 0 CA-C-N 115.773 -0.649 . . . . 0.0 113.821 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' L' L ' 9' ' ' SER . . . . . 0.511 ' HB2' ' HE1' ' D' ' 10' ' ' HIS . 0.7 OUTLIER -66.58 -0.65 2.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.919 0.39 . . . . 0.0 111.822 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' L' L ' 10' ' ' HIS . . . . . 0.5 ' HE1' ' HB2' ' H' ' 9' ' ' SER . 91.6 m-70 -110.8 -36.22 5.76 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 178.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' L' L ' 11' ' ' LEU . . . . . 0.54 ' HG ' ' HA2' ' L' ' 8' ' ' GLY . 0.6 OUTLIER -66.25 -28.28 68.6 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.784 179.471 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' L' L ' 12' ' ' VAL . . . . . 0.628 HG13 HG13 ' J' ' 12' ' ' VAL . 16.5 m -56.39 -48.79 79.35 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.703 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.871 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' L' L ' 13' ' ' GLU . . . . . 0.473 ' N ' HG21 ' L' ' 12' ' ' VAL . 45.4 mm-40 -56.24 -51.14 69.18 Favored 'General case' 0 N--CA 1.465 0.322 0 O-C-N 123.252 0.345 . . . . 0.0 111.202 179.494 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' L' L ' 14' ' ' ALA . . . . . 0.711 ' HB1' ' H5 ' ' K' ' 22' ' ' IPH . . . -52.67 -50.63 62.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.437 -179.743 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' L' L ' 15' ' ' LEU . . . . . 0.593 HD22 HD21 ' K' ' 16' ' ' LEU . 76.1 mt -70.54 -33.05 70.72 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.308 0.575 . . . . 0.0 110.715 179.32 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' L' L ' 16' ' ' TYR . . . . . 0.628 ' HB2' ' O ' ' L' ' 12' ' ' VAL . 0.6 OUTLIER -67.87 -19.37 65.02 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.518 -0.764 . . . . 0.0 111.25 -179.273 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' L' L ' 17' ' ' LEU . . . . . 0.582 HD23 ' CE1' ' J' ' 5' ' ' HIS . 0.5 OUTLIER -90.15 -48.47 7.15 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 178.456 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 56.5 t -68.93 -44.58 81.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.135 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 m -104.5 33.56 3.49 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.342 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.91 -36.21 92.49 Favored Glycine 0 CA--C 1.518 0.259 0 CA-C-N 116.005 -0.543 . . . . 0.0 114.439 -178.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 21' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -92.09 7.78 40.81 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 117.198 0.499 . . . . 0.0 111.946 -178.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 22' ' ' ARG . . . . . 0.522 ' HB3' ' HB2' ' K' ' 21' ' ' ASN . 93.4 mtt180 -127.2 -79.28 0.59 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.659 0.743 . . . . 0.0 110.021 178.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' L' L ' 23' ' ' GLY . . . . . . . . . . . . . . . 148.06 176.1 21.29 Favored Glycine 0 N--CA 1.44 -1.085 0 CA-C-N 114.374 -1.285 . . . . 0.0 110.152 -179.221 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 24' ' ' PHE . . . . . . . . . . . . . 19.2 p90 -141.03 143.05 34.18 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.357 0.599 . . . . 0.0 110.912 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 25' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -97.21 105.7 17.9 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 179.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' L' L ' 26' ' ' TYR . . . . . 0.422 ' CE2' ' HG3' ' L' ' 28' ' ' PRO . 39.3 t80 -97.7 96.54 8.33 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 120.586 -0.446 . . . . 0.0 111.146 -178.52 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' L' L ' 27' ' ' THR . . . . . 0.4 ' HA ' ' HA3' ' J' ' 23' ' ' GLY . 34.7 m -115.26 98.22 50.02 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.371 179.597 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' L' L ' 28' ' ' PRO . . . . . 0.523 ' HA ' HG23 ' K' ' 3' ' ' VAL . 16.5 Cg_exo -67.8 -20.88 45.34 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 123.046 2.498 . . . . 0.0 111.643 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' L' L ' 29' ' ' LYS . . . . . 0.541 ' HZ3' ' HB3' ' L' ' 29' ' ' LYS . 0.0 OUTLIER -68.1 112.89 5.33 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 179.397 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' L' L ' 30' ' ' THR . . . . . . . . . . . . . 1.1 p . . . . . 0 C--O 1.245 0.838 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.064 -179.794 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' IPH . . . . . 0.731 ' H5 ' ' HB1' ' B' ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 22' ' ' IPH . . . . . 0.732 ' H5 ' ' HB1' ' D' ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 22' ' ' IPH . . . . . 0.716 ' H5 ' ' HB1' ' F' ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 22' ' ' IPH . . . . . 0.708 ' H5 ' ' HB1' ' H' ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 22' ' ' IPH . . . . . 0.724 ' H5 ' ' HB1' ' J' ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' K' K ' 22' ' ' IPH . . . . . 0.711 ' H5 ' ' HB1' ' L' ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.296 0 CA-C-O 119.796 -0.447 . . . . 0.0 112.968 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.875 HG21 ' H ' ' A' ' 3' ' ' VAL . 9.0 tt 32.19 -89.65 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 C-N-CA 125.063 1.345 . . . . 0.0 114.22 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.875 ' H ' HG21 ' A' ' 2' ' ' ILE . 4.6 t -56.1 -54.59 25.54 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.093 0 CA-C-O 120.849 0.357 . . . . 0.0 111.098 -178.783 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -59.02 -38.35 79.04 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.635 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -63.69 -47.28 81.8 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.377 -0.828 . . . . 0.0 111.9 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.553 ' HB3' ' H2 ' ' A' ' 22' ' ' IPH . 76.4 m -83.38 -16.03 47.58 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 -177.732 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.4 t -77.65 -6.92 55.5 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 120.909 0.385 . . . . 0.0 110.725 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.2 p -68.6 -63.63 1.02 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.706 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.483 ' O ' ' HB ' ' A' ' 10' ' ' ILE . 11.9 t -158.69 35.49 0.22 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.328 -179.606 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.483 ' HB ' ' O ' ' A' ' 9' ' ' SER . 2.4 mp 74.01 139.81 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.946 179.534 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 80.4 m -103.66 175.49 5.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.542 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.501 ' HB3' ' HG3' ' A' ' 15' ' ' GLN . 40.5 t -78.98 147.87 32.77 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 177.235 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.635 ' HG ' HG23 ' B' ' 18' ' ' VAL . 9.9 tt -60.24 -34.98 74.45 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.996 0.427 . . . . 0.0 110.653 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -64.79 -27.1 68.66 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.335 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.501 ' HG3' ' HB3' ' A' ' 12' ' ' SER . 22.4 mt-30 -77.53 -34.56 53.91 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.921 0.391 . . . . 0.0 110.628 179.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.442 HD21 HD22 ' B' ' 15' ' ' LEU . 79.9 mt -66.67 -31.95 72.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.234 179.7 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -58.73 -32.05 68.86 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.853 179.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 57.8 m-20 -73.52 -14.48 61.22 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.434 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -101.93 4.55 40.17 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.925 0.393 . . . . 0.0 110.751 -178.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 18.5 t -91.15 160.94 15.3 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.112 -179.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.439 ' C ' HH21 ' B' ' 22' ' ' ARG . 21.8 t-20 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.534 -0.746 . . . . 0.0 109.847 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . 0.672 ' O ' HG21 ' B' ' 2' ' ' VAL . 51.5 t80 . . . . . 0 N--CA 1.484 1.253 0 N-CA-C 111.165 0.061 . . . . 0.0 111.165 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . 0.672 HG21 ' O ' ' B' ' 1' ' ' PHE . 20.2 m 49.17 -157.53 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 124.255 1.022 . . . . 0.0 112.565 -179.032 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -137.28 175.37 9.67 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.601 0.239 . . . . 0.0 110.778 -178.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . 0.741 ' HA ' ' HB3' ' B' ' 7' ' ' CYS . 6.1 tt0 -50.41 -30.26 12.06 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 124.084 0.954 . . . . 0.0 110.414 178.599 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 77.6 t60 -48.05 -44.83 31.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.046 179.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.558 HD23 ' H4 ' ' I' ' 22' ' ' IPH . 79.3 mt -94.94 -30.05 14.34 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 121.325 0.583 . . . . 0.0 110.504 179.583 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . 0.741 ' HB3' ' HA ' ' B' ' 4' ' ' GLN . 33.0 t -60.25 -38.83 84.7 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.097 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . 0.486 ' HA3' ' OH ' ' B' ' 26' ' ' TYR . . . -69.88 -19.46 75.25 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 121.097 -0.573 . . . . 0.0 113.775 -179.649 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' SER . . . . . 1.036 ' HB2' ' HG2' ' D' ' 13' ' ' GLU . 10.1 p -65.85 -18.88 65.64 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 117.446 0.623 . . . . 0.0 110.534 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -104.59 -19.83 13.86 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.337 -179.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.512 HD21 ' H3 ' ' A' ' 22' ' ' IPH . 44.8 mt -72.59 -34.23 67.27 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 177.086 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.686 HG23 HG23 ' D' ' 12' ' ' VAL . 30.0 m -68.25 -29.9 45.95 Favored 'Isoleucine or valine' 0 C--O 1.232 0.142 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.487 178.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 1.093 ' HG2' ' HB2' ' D' ' 9' ' ' SER . 48.5 mt-10 -60.8 -32.76 72.11 Favored 'General case' 0 CA--C 1.522 -0.126 0 CA-C-O 121.428 0.632 . . . . 0.0 109.581 179.693 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.42 -36.23 22.53 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.911 178.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.505 ' HB2' ' HA ' ' B' ' 12' ' ' VAL . 15.9 mt -57.41 -54.89 41.68 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.738 179.701 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . 0.797 ' CE2' ' HA ' ' B' ' 13' ' ' GLU . 1.7 p90 -65.33 -24.25 67.21 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 120.356 -0.537 . . . . 0.0 110.805 -179.147 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.403 HD13 ' H5 ' ' G' ' 22' ' ' IPH . 2.6 tt -69.76 -39.22 76.83 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 109.711 -0.478 . . . . 0.0 109.711 -179.464 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.635 HG23 ' HG ' ' A' ' 13' ' ' LEU . 58.9 t -69.17 -36.4 72.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 178.087 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . 0.802 ' HB3' ' HB2' ' B' ' 22' ' ' ARG . 84.1 m -69.77 -37.58 76.44 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.319 179.378 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.77 -87.18 1.24 Allowed Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.681 -0.771 . . . . 0.0 111.24 -179.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.523 ' HG2' ' HD2' ' D' ' 29' ' ' LYS . 17.6 tt0 -120.61 33.68 5.49 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.859 0.838 . . . . 0.0 109.401 178.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . 0.802 ' HB2' ' HB3' ' B' ' 19' ' ' CYS . 78.2 mtp180 -121.03 170.84 9.13 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.921 179.559 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -111.18 -175.97 20.3 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.752 -0.737 . . . . 0.0 111.822 179.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . 0.546 ' HE2' ' HB3' ' B' ' 16' ' ' TYR . 13.3 p90 -158.67 163.23 37.07 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.001 0.429 . . . . 0.0 110.739 179.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 13.7 m-30 -100.05 111.31 23.61 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 178.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.503 ' HB2' ' HE1' ' B' ' 24' ' ' PHE . 64.9 t80 -100.74 112.2 24.56 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.883 0.373 . . . . 0.0 111.454 -178.593 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 4.0 p -125.37 95.88 40.17 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.947 178.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -78.03 46.22 2.02 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 123.012 2.475 . . . . 0.0 112.51 -179.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.606 ' HD2' ' HG2' ' D' ' 21' ' ' GLU . 45.6 tttm -163.65 147.72 10.43 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.461 -0.791 . . . . 0.0 109.602 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 18.1 m . . . . . 0 C--O 1.253 1.275 0 CA-C-O 118.01 -0.995 . . . . 0.0 108.907 178.751 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.94 0 CA-C-O 119.97 -0.35 . . . . 0.0 112.442 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 2' ' ' ILE . . . . . 0.855 HG22 ' H ' ' C' ' 3' ' ' VAL . 8.8 tt 31.02 -88.9 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 125.239 1.416 . . . . 0.0 114.351 -179.732 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 3' ' ' VAL . . . . . 0.855 ' H ' HG22 ' C' ' 2' ' ' ILE . 4.1 t -56.61 -54.58 27.06 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.13 0 CA-C-O 121.049 0.452 . . . . 0.0 111.085 -178.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -59.56 -35.25 73.88 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.858 179.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -67.43 -47.04 71.37 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.644 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 6' ' ' CYS . . . . . 0.56 ' HB3' ' H2 ' ' C' ' 22' ' ' IPH . 73.1 m -83.53 -15.91 47.54 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 -177.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 7' ' ' CYS . . . . . . . . . . . . . 42.3 t -77.51 -6.49 53.78 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.014 0.435 . . . . 0.0 110.476 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 40.8 p -68.36 -65.47 0.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.263 179.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 9' ' ' SER . . . . . 0.471 ' O ' ' HB ' ' C' ' 10' ' ' ILE . 9.6 t -157.86 36.31 0.26 Allowed 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.234 -179.636 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . 0.471 ' HB ' ' O ' ' C' ' 9' ' ' SER . 2.3 mp 74.45 140.28 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.647 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.987 179.363 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 75.7 m -103.62 176.59 5.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.376 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 12' ' ' SER . . . . . 0.494 ' HB3' ' HG3' ' C' ' 15' ' ' GLN . 35.6 t -80.6 147.91 30.53 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 177.069 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 13' ' ' LEU . . . . . 0.668 ' HG ' HG23 ' D' ' 18' ' ' VAL . 10.1 tt -59.95 -34.05 72.74 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.929 0.395 . . . . 0.0 110.607 -179.623 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -65.6 -26.78 67.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.314 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . 0.494 ' HG3' ' HB3' ' C' ' 12' ' ' SER . 22.5 mt-30 -77.73 -34.97 52.36 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.957 0.408 . . . . 0.0 110.675 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 16' ' ' LEU . . . . . 0.451 HD21 HD22 ' D' ' 15' ' ' LEU . 78.0 mt -66.25 -31.76 72.77 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.258 179.762 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 -58.64 -32.71 69.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.933 179.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 61.6 m-20 -73.05 -13.38 61.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.541 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 9.3 m-30 -102.94 3.61 36.57 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.054 0.454 . . . . 0.0 110.608 -178.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 18.3 t -90.65 158.06 17.13 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.076 -179.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 21' ' ' ASN . . . . . 0.443 ' C ' HH21 ' D' ' 22' ' ' ARG . 22.4 t-20 . . . . . 0 C--O 1.247 0.968 0 CA-C-O 118.617 -0.706 . . . . 0.0 109.942 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 1' ' ' PHE . . . . . 0.661 ' O ' HG21 ' D' ' 2' ' ' VAL . 51.2 t80 . . . . . 0 N--CA 1.484 1.24 0 CA-C-O 120.263 0.078 . . . . 0.0 111.167 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 2' ' ' VAL . . . . . 0.661 HG21 ' O ' ' D' ' 1' ' ' PHE . 21.9 m 48.38 -157.78 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 124.447 1.099 . . . . 0.0 112.6 -178.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 3' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -136.98 174.67 10.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 122.293 -0.254 . . . . 0.0 110.674 -178.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 4' ' ' GLN . . . . . 0.735 ' HA ' ' HB3' ' D' ' 7' ' ' CYS . 6.1 tt0 -50.58 -29.09 9.97 Favored 'General case' 0 C--N 1.333 -0.129 0 C-N-CA 124.09 0.956 . . . . 0.0 110.505 178.691 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 5' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -49.21 -43.95 42.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.241 -0.89 . . . . 0.0 111.128 178.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 6' ' ' LEU . . . . . 0.554 HD23 ' H4 ' ' G' ' 22' ' ' IPH . 78.1 mt -95.92 -29.72 14.02 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.44 0.638 . . . . 0.0 110.542 179.412 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 7' ' ' CYS . . . . . 0.735 ' HB3' ' HA ' ' D' ' 4' ' ' GLN . 30.6 t -60.29 -38.98 85.29 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.094 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 8' ' ' GLY . . . . . 0.485 ' HA3' ' OH ' ' D' ' 26' ' ' TYR . . . -69.56 -20.1 75.28 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 121.213 -0.518 . . . . 0.0 113.807 -179.61 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 9' ' ' SER . . . . . 1.093 ' HB2' ' HG2' ' B' ' 13' ' ' GLU . 10.4 p -65.44 -18.85 65.63 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 117.332 0.566 . . . . 0.0 110.648 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 10' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -104.51 -19.93 13.86 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.268 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 11' ' ' LEU . . . . . 0.514 HD21 ' H3 ' ' C' ' 22' ' ' IPH . 44.1 mt -72.46 -34.11 67.5 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 177.161 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . 0.686 HG23 HG23 ' B' ' 12' ' ' VAL . 26.7 m -68.25 -29.97 46.18 Favored 'Isoleucine or valine' 0 C--O 1.231 0.08 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.449 178.752 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 13' ' ' GLU . . . . . 1.036 ' HG2' ' HB2' ' B' ' 9' ' ' SER . 48.4 mt-10 -60.72 -32.79 72.03 Favored 'General case' 0 CA--C 1.522 -0.119 0 CA-C-O 121.369 0.604 . . . . 0.0 109.536 179.624 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.51 -35.75 22.68 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.886 178.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 15' ' ' LEU . . . . . 0.483 ' HB2' ' HA ' ' D' ' 12' ' ' VAL . 15.7 mt -58.06 -54.58 45.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.728 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 16' ' ' TYR . . . . . 0.778 ' CE2' ' HA ' ' D' ' 13' ' ' GLU . 1.8 p90 -65.4 -24.48 67.22 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.806 -179.113 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . 0.425 HD13 ' H5 ' ' I' ' 22' ' ' IPH . 2.5 tt -69.05 -41.33 77.77 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 -179.41 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . 0.668 HG23 ' HG ' ' C' ' 13' ' ' LEU . 57.5 t -66.94 -37.31 79.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.589 0.709 . . . . 0.0 109.266 178.218 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 19' ' ' CYS . . . . . 0.798 ' HB3' ' HB2' ' D' ' 22' ' ' ARG . 85.9 m -69.01 -38.04 79.01 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.168 -0.924 . . . . 0.0 111.348 179.596 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.11 -88.69 1.28 Allowed Glycine 0 N--CA 1.449 -0.461 0 N-CA-C 111.108 -0.797 . . . . 0.0 111.108 -178.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 21' ' ' GLU . . . . . 0.606 ' HG2' ' HD2' ' B' ' 29' ' ' LYS . 18.5 tt0 -119.11 35.05 4.96 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.813 0.816 . . . . 0.0 109.379 178.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 22' ' ' ARG . . . . . 0.798 ' HB2' ' HB3' ' D' ' 19' ' ' CYS . 79.2 mtp180 -122.35 169.11 11.27 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.8 179.628 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 23' ' ' GLY . . . . . . . . . . . . . . . -109.88 -176.67 21.07 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 121.025 -0.607 . . . . 0.0 111.81 179.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 24' ' ' PHE . . . . . 0.549 ' HE2' ' HB3' ' D' ' 16' ' ' TYR . 12.6 p90 -158.51 162.87 37.49 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.06 0.457 . . . . 0.0 110.904 179.667 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 25' ' ' PHE . . . . . . . . . . . . . 13.4 m-30 -99.29 110.17 22.72 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 179.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 26' ' ' TYR . . . . . 0.508 ' HB2' ' HE1' ' D' ' 24' ' ' PHE . 66.3 t80 -99.76 112.99 25.19 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.875 0.369 . . . . 0.0 111.537 -178.784 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 27' ' ' THR . . . . . . . . . . . . . 3.4 p -126.18 95.23 39.46 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.015 179.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 28' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -77.9 48.0 2.51 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 123.118 2.545 . . . . 0.0 112.167 -179.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 29' ' ' LYS . . . . . 0.523 ' HD2' ' HG2' ' B' ' 21' ' ' GLU . 44.5 tttm -165.82 146.86 6.9 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.545 179.748 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 9.9 m . . . . . 0 C--O 1.253 1.266 0 CA-C-O 117.734 -1.126 . . . . 0.0 108.553 178.619 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.07 0 CA-C-O 119.716 -0.491 . . . . 0.0 112.348 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' E' E ' 2' ' ' ILE . . . . . 0.848 HG21 ' H ' ' E' ' 3' ' ' VAL . 8.6 tt 33.75 -89.88 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.746 0 C-N-CA 124.841 1.256 . . . . 0.0 114.157 -179.611 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 3' ' ' VAL . . . . . 0.848 ' H ' HG21 ' E' ' 2' ' ' ILE . 4.1 t -56.03 -54.74 23.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.804 0.335 . . . . 0.0 111.116 -178.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 4' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -58.7 -37.99 77.3 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.708 179.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -64.25 -48.58 75.24 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.818 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 6' ' ' CYS . . . . . 0.564 ' HB3' ' H2 ' ' E' ' 22' ' ' IPH . 73.2 m -82.08 -16.52 49.79 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 -177.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 7' ' ' CYS . . . . . . . . . . . . . 42.6 t -77.17 -7.08 55.24 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.687 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 47.1 p -67.96 -64.16 0.92 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.503 179.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 9' ' ' SER . . . . . 0.483 ' O ' ' HB ' ' E' ' 10' ' ' ILE . 10.8 t -158.81 35.85 0.22 Allowed 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.337 -179.683 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 10' ' ' ILE . . . . . 0.483 ' HB ' ' O ' ' E' ' 9' ' ' SER . 2.4 mp 74.61 139.89 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 CA-C-O 121.341 0.591 . . . . 0.0 111.956 179.445 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 11' ' ' CYS . . . . . . . . . . . . . 77.2 m -103.05 176.9 4.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.499 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 12' ' ' SER . . . . . 0.456 ' HB3' ' HG3' ' E' ' 15' ' ' GLN . 36.6 t -82.03 146.12 29.86 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 177.188 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 13' ' ' LEU . . . . . 0.65 ' HG ' HG23 ' F' ' 18' ' ' VAL . 10.1 tt -57.84 -34.51 69.78 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.936 0.398 . . . . 0.0 110.774 -179.485 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -65.56 -25.89 67.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.454 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . 0.456 ' HG3' ' HB3' ' E' ' 12' ' ' SER . 22.8 mt-30 -78.74 -35.16 45.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.838 0.352 . . . . 0.0 110.456 179.761 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 16' ' ' LEU . . . . . 0.43 HD21 HD22 ' F' ' 15' ' ' LEU . 80.0 mt -65.86 -31.93 73.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.38 179.685 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 17' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -58.9 -32.3 69.41 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.86 179.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 18' ' ' ASN . . . . . . . . . . . . . 56.6 m-20 -73.42 -14.18 61.21 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.404 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 19' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -102.37 5.59 39.85 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.169 0.509 . . . . 0.0 110.673 -178.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 20' ' ' CYS . . . . . . . . . . . . . 17.9 t -91.94 160.53 15.22 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.895 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 21' ' ' ASN . . . . . 0.406 ' C ' HH21 ' F' ' 22' ' ' ARG . 22.7 t-20 . . . . . 0 C--O 1.244 0.776 0 CA-C-O 118.518 -0.753 . . . . 0.0 110.282 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 1' ' ' PHE . . . . . 0.68 ' O ' HG21 ' F' ' 2' ' ' VAL . 50.0 t80 . . . . . 0 N--CA 1.483 1.208 0 CA-C-O 120.392 0.139 . . . . 0.0 111.193 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 2' ' ' VAL . . . . . 0.68 HG21 ' O ' ' F' ' 1' ' ' PHE . 22.7 m 49.24 -156.04 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 124.431 1.093 . . . . 0.0 112.637 -179.039 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 3' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -138.76 174.76 10.19 Favored 'General case' 0 C--N 1.322 -0.592 0 O-C-N 122.292 -0.255 . . . . 0.0 110.577 -177.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 4' ' ' GLN . . . . . 0.731 ' HA ' ' HB3' ' F' ' 7' ' ' CYS . 5.9 tt0 -50.52 -29.64 11.04 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 123.966 0.906 . . . . 0.0 110.449 178.614 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 5' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -48.79 -43.98 38.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.119 179.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 6' ' ' LEU . . . . . 0.564 HD23 ' H4 ' ' A' ' 22' ' ' IPH . 79.1 mt -95.9 -29.55 14.13 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.268 0.556 . . . . 0.0 110.525 179.588 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 7' ' ' CYS . . . . . 0.731 ' HB3' ' HA ' ' F' ' 4' ' ' GLN . 31.3 t -60.51 -38.81 85.56 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.092 179.751 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 8' ' ' GLY . . . . . 0.495 ' HA3' ' OH ' ' F' ' 26' ' ' TYR . . . -69.68 -19.94 75.32 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 121.229 -0.51 . . . . 0.0 113.805 -179.673 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 9' ' ' SER . . . . . 1.06 ' HB2' ' HG2' ' H' ' 13' ' ' GLU . 10.6 p -65.6 -19.1 65.78 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 117.486 0.643 . . . . 0.0 110.599 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 10' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -104.29 -20.05 13.89 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.376 -179.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 11' ' ' LEU . . . . . 0.491 HD21 ' H3 ' ' E' ' 22' ' ' IPH . 43.5 mt -72.56 -34.1 67.27 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 177.258 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 12' ' ' VAL . . . . . 0.673 HG23 HG23 ' H' ' 12' ' ' VAL . 26.7 m -68.28 -30.02 46.31 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.506 178.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 13' ' ' GLU . . . . . 1.048 ' HG2' ' HB2' ' H' ' 9' ' ' SER . 48.2 mt-10 -60.57 -32.81 71.88 Favored 'General case' 0 CA--C 1.521 -0.145 0 CA-C-O 121.466 0.65 . . . . 0.0 109.614 179.524 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.41 -35.8 22.86 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.946 178.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 15' ' ' LEU . . . . . 0.498 ' HB2' ' HA ' ' F' ' 12' ' ' VAL . 15.8 mt -58.04 -54.68 44.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.734 179.761 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 16' ' ' TYR . . . . . 0.786 ' CE2' ' HA ' ' F' ' 13' ' ' GLU . 1.8 p90 -65.43 -23.81 67.03 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.34 -0.544 . . . . 0.0 110.82 -179.124 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 17' ' ' LEU . . . . . 0.404 HD13 ' H5 ' ' K' ' 22' ' ' IPH . 2.4 tt -69.82 -41.12 75.4 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 -179.426 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . 0.65 HG23 ' HG ' ' E' ' 13' ' ' LEU . 57.9 t -67.18 -36.71 77.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.562 0.696 . . . . 0.0 109.235 178.405 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 19' ' ' CYS . . . . . 0.784 ' HB3' ' HB2' ' F' ' 22' ' ' ARG . 84.7 m -69.89 -36.82 75.74 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.159 -0.928 . . . . 0.0 111.52 179.601 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.08 -88.8 1.18 Allowed Glycine 0 N--CA 1.448 -0.565 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -178.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 21' ' ' GLU . . . . . 0.576 ' HG2' ' HD2' ' H' ' 29' ' ' LYS . 18.4 tt0 -119.16 35.01 4.98 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.759 0.79 . . . . 0.0 109.283 179.152 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 22' ' ' ARG . . . . . 0.784 ' HB2' ' HB3' ' F' ' 19' ' ' CYS . 79.6 mtp180 -122.36 169.1 11.29 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.796 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 23' ' ' GLY . . . . . . . . . . . . . . . -109.7 -176.58 21.16 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.862 -0.685 . . . . 0.0 111.836 179.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 24' ' ' PHE . . . . . 0.553 ' HE2' ' HB3' ' F' ' 16' ' ' TYR . 12.5 p90 -158.83 162.44 37.0 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.047 0.451 . . . . 0.0 110.951 179.633 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 25' ' ' PHE . . . . . . . . . . . . . 13.3 m-30 -99.27 110.26 22.81 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 179.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 26' ' ' TYR . . . . . 0.495 ' OH ' ' HA3' ' F' ' 8' ' ' GLY . 65.3 t80 -100.08 112.58 24.88 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.846 0.355 . . . . 0.0 111.488 -178.667 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 27' ' ' THR . . . . . . . . . . . . . 6.3 p -125.46 95.79 40.12 Favored Pre-proline 0 C--N 1.321 -0.644 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.027 179.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 28' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -78.07 46.57 2.11 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.893 2.395 . . . . 0.0 112.433 -179.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 29' ' ' LYS . . . . . 0.571 ' HD2' ' HG2' ' H' ' 21' ' ' GLU . 44.9 tttm -164.45 147.14 8.88 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.501 179.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 30' ' ' THR . . . . . . . . . . . . . 13.7 m . . . . . 0 C--O 1.252 1.22 0 CA-C-O 118.031 -0.985 . . . . 0.0 108.838 178.914 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' G' G ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.08 0 CA-C-O 119.788 -0.451 . . . . 0.0 112.552 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' G' G ' 2' ' ' ILE . . . . . 0.85 HG22 ' H ' ' G' ' 3' ' ' VAL . 8.5 tt 31.06 -88.87 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.716 0 C-N-CA 125.072 1.349 . . . . 0.0 114.186 -179.688 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' G' G ' 3' ' ' VAL . . . . . 0.85 ' H ' HG22 ' G' ' 2' ' ' ILE . 4.0 t -56.7 -54.53 27.93 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.094 0 CA-C-O 120.884 0.373 . . . . 0.0 111.17 -178.746 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' G' G ' 4' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -58.91 -38.22 78.42 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.622 179.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 5' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -64.12 -47.86 78.34 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.829 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 6' ' ' CYS . . . . . 0.54 ' HB3' ' H2 ' ' G' ' 22' ' ' IPH . 72.5 m -83.05 -15.29 51.6 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 -177.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' G' G ' 7' ' ' CYS . . . . . . . . . . . . . 42.2 t -78.13 -7.17 56.69 Favored 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.482 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 8' ' ' THR . . . . . . . . . . . . . 42.3 p -67.93 -65.85 0.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.222 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 9' ' ' SER . . . . . 0.483 ' O ' ' HB ' ' G' ' 10' ' ' ILE . 10.3 t -157.0 36.6 0.3 Allowed 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.466 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' G' G ' 10' ' ' ILE . . . . . 0.483 ' HB ' ' O ' ' G' ' 9' ' ' SER . 2.3 mp 74.14 139.71 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 CA-C-N 115.907 -0.588 . . . . 0.0 112.077 179.382 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' G' G ' 11' ' ' CYS . . . . . . . . . . . . . 77.5 m -103.35 176.55 5.11 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.515 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 12' ' ' SER . . . . . 0.512 ' HB3' ' HG3' ' G' ' 15' ' ' GLN . 41.5 t -80.52 147.16 30.96 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 177.174 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' G' G ' 13' ' ' LEU . . . . . 0.63 ' HG ' HG23 ' H' ' 18' ' ' VAL . 9.8 tt -59.27 -34.51 72.34 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.043 0.449 . . . . 0.0 110.7 -179.509 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -65.59 -26.38 67.82 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.44 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 15' ' ' GLN . . . . . 0.512 ' HG3' ' HB3' ' G' ' 12' ' ' SER . 22.5 mt-30 -78.09 -34.95 49.9 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.488 -0.323 . . . . 0.0 110.495 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' G' G ' 16' ' ' LEU . . . . . 0.416 HD21 HD22 ' H' ' 15' ' ' LEU . 79.1 mt -66.06 -32.13 73.41 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.062 0.458 . . . . 0.0 110.258 179.612 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' G' G ' 17' ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -59.22 -29.72 67.71 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.053 179.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 18' ' ' ASN . . . . . . . . . . . . . 62.7 m-20 -76.09 -12.24 60.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.896 0.379 . . . . 0.0 111.397 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 19' ' ' TYR . . . . . . . . . . . . . 9.6 m-30 -103.78 2.65 33.14 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.21 0.528 . . . . 0.0 110.589 -178.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 20' ' ' CYS . . . . . . . . . . . . . 17.0 t -89.1 159.75 17.38 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.078 -179.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 21' ' ' ASN . . . . . 0.412 ' C ' HH21 ' H' ' 22' ' ' ARG . 22.7 t-20 . . . . . 0 C--O 1.246 0.874 0 CA-C-O 118.4 -0.81 . . . . 0.0 110.072 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 1' ' ' PHE . . . . . 0.689 ' O ' HG21 ' H' ' 2' ' ' VAL . 51.3 t80 . . . . . 0 N--CA 1.483 1.181 0 CA-C-O 120.135 0.016 . . . . 0.0 110.965 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 2' ' ' VAL . . . . . 0.689 HG21 ' O ' ' H' ' 1' ' ' PHE . 21.3 m 48.98 -157.1 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 C-N-CA 124.389 1.076 . . . . 0.0 112.578 -178.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' H' H ' 3' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -137.07 175.57 9.49 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.887 -177.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 4' ' ' GLN . . . . . 0.725 ' HA ' ' HB3' ' H' ' 7' ' ' CYS . 5.9 tt0 -51.81 -28.55 16.04 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 123.953 0.901 . . . . 0.0 110.378 178.6 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' H' H ' 5' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -49.25 -44.35 43.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.944 179.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 6' ' ' LEU . . . . . 0.565 HD23 ' H4 ' ' K' ' 22' ' ' IPH . 79.8 mt -95.47 -30.28 13.95 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.312 0.577 . . . . 0.0 110.48 179.601 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' H' H ' 7' ' ' CYS . . . . . 0.725 ' HB3' ' HA ' ' H' ' 4' ' ' GLN . 28.0 t -59.98 -38.87 83.83 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.076 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' H' H ' 8' ' ' GLY . . . . . 0.475 ' HA3' ' OH ' ' H' ' 26' ' ' TYR . . . -69.46 -19.99 75.01 Favored Glycine 0 N--CA 1.446 -0.648 0 CA-C-N 116.151 -0.477 . . . . 0.0 113.753 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' H' H ' 9' ' ' SER . . . . . 1.048 ' HB2' ' HG2' ' F' ' 13' ' ' GLU . 10.0 p -65.77 -18.79 65.58 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 117.424 0.612 . . . . 0.0 110.666 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' H' H ' 10' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -104.69 -19.67 13.88 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.309 -179.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 11' ' ' LEU . . . . . 0.514 HD21 ' H3 ' ' G' ' 22' ' ' IPH . 45.4 mt -72.66 -34.17 67.06 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 177.074 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' H' H ' 12' ' ' VAL . . . . . 0.673 HG23 HG23 ' F' ' 12' ' ' VAL . 26.8 m -68.24 -29.91 46.02 Favored 'Isoleucine or valine' 0 C--O 1.232 0.157 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.491 178.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' H' H ' 13' ' ' GLU . . . . . 1.06 ' HG2' ' HB2' ' F' ' 9' ' ' SER . 47.7 mt-10 -60.72 -32.69 71.94 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-O 121.534 0.683 . . . . 0.0 109.671 179.609 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' H' H ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.68 -35.31 22.66 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.994 178.081 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 15' ' ' LEU . . . . . 0.492 ' HB2' ' HA ' ' H' ' 12' ' ' VAL . 15.5 mt -58.16 -54.95 41.24 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.737 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' H' H ' 16' ' ' TYR . . . . . 0.798 ' CE2' ' HA ' ' H' ' 13' ' ' GLU . 1.8 p90 -65.14 -24.45 67.41 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 120.396 -0.521 . . . . 0.0 110.876 -179.235 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' H' H ' 17' ' ' LEU . . . . . 0.41 HD13 ' H5 ' ' A' ' 22' ' ' IPH . 2.6 tt -69.43 -40.76 77.05 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 -179.497 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . 0.63 HG23 ' HG ' ' G' ' 13' ' ' LEU . 58.2 t -67.49 -37.85 79.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 178.151 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' H' H ' 19' ' ' CYS . . . . . 0.815 ' HB3' ' HB2' ' H' ' 22' ' ' ARG . 86.5 m -68.15 -38.18 81.86 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.486 179.296 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' H' H ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.46 -86.88 1.31 Allowed Glycine 0 N--CA 1.449 -0.438 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -179.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 21' ' ' GLU . . . . . 0.571 ' HG2' ' HD2' ' F' ' 29' ' ' LYS . 18.4 tt0 -121.2 34.34 5.24 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.78 0.8 . . . . 0.0 109.314 178.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' H' H ' 22' ' ' ARG . . . . . 0.815 ' HB2' ' HB3' ' H' ' 19' ' ' CYS . 79.6 mtp180 -121.84 169.12 11.08 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.047 -0.979 . . . . 0.0 109.711 179.75 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' H' H ' 23' ' ' GLY . . . . . . . . . . . . . . . -109.67 -176.61 21.18 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.822 -0.704 . . . . 0.0 111.597 179.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 24' ' ' PHE . . . . . 0.547 ' HE2' ' HB3' ' H' ' 16' ' ' TYR . 12.4 p90 -158.22 163.29 37.62 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.074 0.464 . . . . 0.0 110.906 179.68 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' H' H ' 25' ' ' PHE . . . . . . . . . . . . . 13.6 m-30 -99.75 111.05 23.41 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 26' ' ' TYR . . . . . 0.497 ' HB2' ' HE1' ' H' ' 24' ' ' PHE . 66.5 t80 -100.93 112.52 24.98 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.849 0.357 . . . . 0.0 111.51 -178.574 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' H' H ' 27' ' ' THR . . . . . . . . . . . . . 3.4 p -125.57 95.39 40.65 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.18 179.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 28' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -77.71 46.55 2.06 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.906 2.404 . . . . 0.0 112.526 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 29' ' ' LYS . . . . . 0.576 ' HD2' ' HG2' ' F' ' 21' ' ' GLU . 45.5 tttm -163.77 148.59 10.62 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.568 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' H' H ' 30' ' ' THR . . . . . . . . . . . . . 13.7 m . . . . . 0 C--O 1.254 1.309 0 CA-C-O 118.081 -0.962 . . . . 0.0 109.124 178.883 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' I' I ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.477 0 CA-C-O 120.002 -0.332 . . . . 0.0 112.786 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' I' I ' 2' ' ' ILE . . . . . 0.872 HG22 ' H ' ' I' ' 3' ' ' VAL . 9.0 tt 31.29 -89.34 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 125.21 1.404 . . . . 0.0 114.266 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' I' I ' 3' ' ' VAL . . . . . 0.872 ' H ' HG22 ' I' ' 2' ' ' ILE . 4.0 t -55.84 -54.67 23.92 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 CA-C-O 120.817 0.341 . . . . 0.0 111.288 -178.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' I' I ' 4' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -58.77 -39.1 80.04 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.588 179.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 5' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -63.22 -48.06 79.88 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.914 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 6' ' ' CYS . . . . . 0.542 ' HB3' ' H2 ' ' I' ' 22' ' ' IPH . 73.5 m -82.67 -16.21 49.08 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 -177.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' I' I ' 7' ' ' CYS . . . . . . . . . . . . . 42.1 t -77.45 -6.51 53.72 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.527 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 8' ' ' THR . . . . . . . . . . . . . 41.1 p -68.66 -64.67 0.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.47 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 9' ' ' SER . . . . . 0.479 ' O ' ' HB ' ' I' ' 10' ' ' ILE . 13.6 t -157.86 36.17 0.26 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.187 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' I' I ' 10' ' ' ILE . . . . . 0.479 ' HB ' ' O ' ' I' ' 9' ' ' SER . 2.3 mp 74.43 141.36 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.761 179.485 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' I' I ' 11' ' ' CYS . . . . . . . . . . . . . 76.5 m -104.75 176.39 5.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.305 179.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 12' ' ' SER . . . . . 0.539 ' HB3' ' HG3' ' I' ' 15' ' ' GLN . 40.8 t -79.9 148.64 31.2 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 177.23 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' I' I ' 13' ' ' LEU . . . . . 0.654 ' HG ' HG23 ' J' ' 18' ' ' VAL . 10.0 tt -60.98 -34.68 75.16 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.033 0.444 . . . . 0.0 110.528 -179.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -65.03 -26.36 68.23 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.309 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 15' ' ' GLN . . . . . 0.539 ' HG3' ' HB3' ' I' ' 12' ' ' SER . 22.5 mt-30 -77.93 -35.46 50.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.001 0.429 . . . . 0.0 110.578 179.686 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' I' I ' 16' ' ' LEU . . . . . 0.443 HD21 HD22 ' J' ' 15' ' ' LEU . 77.8 mt -65.83 -32.05 73.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.306 179.66 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' I' I ' 17' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -58.85 -31.34 68.43 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.986 179.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 18' ' ' ASN . . . . . . . . . . . . . 62.4 m-20 -74.19 -14.76 60.99 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.361 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 19' ' ' TYR . . . . . . . . . . . . . 8.9 m-30 -101.49 4.54 41.28 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.893 0.377 . . . . 0.0 110.831 -178.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 20' ' ' CYS . . . . . . . . . . . . . 17.9 t -91.53 159.15 16.07 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.021 -179.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 21' ' ' ASN . . . . . 0.415 ' C ' HH21 ' J' ' 22' ' ' ARG . 21.5 t-20 . . . . . 0 C--O 1.248 0.975 0 CA-C-O 118.446 -0.788 . . . . 0.0 109.963 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 1' ' ' PHE . . . . . 0.679 ' O ' HG21 ' J' ' 2' ' ' VAL . 53.8 t80 . . . . . 0 N--CA 1.482 1.162 0 CA-C-O 120.243 0.068 . . . . 0.0 111.145 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 2' ' ' VAL . . . . . 0.679 HG21 ' O ' ' J' ' 1' ' ' PHE . 22.7 m 48.96 -156.01 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 124.295 1.038 . . . . 0.0 112.538 -178.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' J' J ' 3' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -138.0 175.58 9.46 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 122.368 -0.208 . . . . 0.0 110.761 -178.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 4' ' ' GLN . . . . . 0.714 ' HA ' ' HB3' ' J' ' 7' ' ' CYS . 5.9 tt0 -51.53 -28.9 15.01 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 123.962 0.905 . . . . 0.0 110.497 178.254 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' J' J ' 5' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -49.21 -44.18 43.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.033 179.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 6' ' ' LEU . . . . . 0.54 HD23 ' H4 ' ' E' ' 22' ' ' IPH . 79.4 mt -95.5 -30.05 14.06 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.379 0.609 . . . . 0.0 110.587 179.473 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' J' J ' 7' ' ' CYS . . . . . 0.714 ' HB3' ' HA ' ' J' ' 4' ' ' GLN . 33.8 t -60.13 -38.77 84.07 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.085 179.744 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' J' J ' 8' ' ' GLY . . . . . 0.491 ' HA3' ' OH ' ' J' ' 26' ' ' TYR . . . -69.7 -19.65 75.11 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 121.201 -0.523 . . . . 0.0 113.87 -179.622 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' J' J ' 9' ' ' SER . . . . . 1.07 ' HB2' ' HG2' ' L' ' 13' ' ' GLU . 10.6 p -65.95 -18.96 65.69 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 117.417 0.608 . . . . 0.0 110.643 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' J' J ' 10' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -104.44 -19.55 14.01 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.33 -179.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 11' ' ' LEU . . . . . 0.51 HD21 ' H3 ' ' I' ' 22' ' ' IPH . 45.2 mt -73.0 -33.88 66.05 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 177.126 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' J' J ' 12' ' ' VAL . . . . . 0.684 HG23 HG23 ' L' ' 12' ' ' VAL . 26.9 m -68.66 -29.99 45.67 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.411 178.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' J' J ' 13' ' ' GLU . . . . . 1.049 ' HG2' ' HB2' ' L' ' 9' ' ' SER . 48.9 mt-10 -60.67 -32.36 71.57 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-O 121.498 0.666 . . . . 0.0 109.616 179.561 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' J' J ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.83 -35.74 22.09 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.936 178.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 15' ' ' LEU . . . . . 0.503 ' HB2' ' HA ' ' J' ' 12' ' ' VAL . 15.7 mt -57.87 -54.77 43.15 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.769 179.716 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' J' J ' 16' ' ' TYR . . . . . 0.803 ' CE2' ' HA ' ' J' ' 13' ' ' GLU . 1.8 p90 -65.39 -24.42 67.22 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.321 -0.551 . . . . 0.0 110.809 -179.11 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' J' J ' 17' ' ' LEU . . . . . 0.437 HD13 ' H5 ' ' C' ' 22' ' ' IPH . 2.7 tt -69.16 -40.71 78.01 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 -179.453 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' J' J ' 18' ' ' VAL . . . . . 0.654 HG23 ' HG ' ' I' ' 13' ' ' LEU . 58.5 t -67.43 -38.29 80.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 178.154 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' J' J ' 19' ' ' CYS . . . . . 0.805 ' HB3' ' HB2' ' J' ' 22' ' ' ARG . 85.3 m -68.16 -35.89 78.77 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.188 -0.914 . . . . 0.0 111.666 179.352 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' J' J ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.76 -87.46 1.05 Allowed Glycine 0 N--CA 1.45 -0.397 0 N-CA-C 111.307 -0.717 . . . . 0.0 111.307 -179.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 21' ' ' GLU . . . . . 0.575 ' HG2' ' HD2' ' L' ' 29' ' ' LYS . 18.1 tt0 -120.9 36.85 4.47 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.784 0.802 . . . . 0.0 109.363 179.087 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' J' J ' 22' ' ' ARG . . . . . 0.805 ' HB2' ' HB3' ' J' ' 19' ' ' CYS . 79.1 mtp180 -124.09 169.93 11.2 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.691 179.634 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' J' J ' 23' ' ' GLY . . . . . . . . . . . . . . . -110.46 -176.31 20.72 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.783 -0.722 . . . . 0.0 111.654 179.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 24' ' ' PHE . . . . . 0.538 ' HE2' ' HB3' ' J' ' 16' ' ' TYR . 12.4 p90 -158.52 163.14 37.35 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.098 0.475 . . . . 0.0 110.803 179.741 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' J' J ' 25' ' ' PHE . . . . . . . . . . . . . 13.8 m-30 -100.06 110.07 22.37 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 179.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 26' ' ' TYR . . . . . 0.499 ' HB2' ' HE1' ' J' ' 24' ' ' PHE . 66.6 t80 -99.93 112.54 24.81 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.907 0.384 . . . . 0.0 111.668 -178.671 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' J' J ' 27' ' ' THR . . . . . . . . . . . . . 4.9 p -125.37 95.41 41.11 Favored Pre-proline 0 C--N 1.32 -0.678 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.073 179.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 28' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -77.98 46.91 2.19 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.905 2.403 . . . . 0.0 112.299 -179.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 29' ' ' LYS . . . . . 0.534 ' HD2' ' HG2' ' L' ' 21' ' ' GLU . 45.0 tttm -164.95 146.11 7.64 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.829 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' J' J ' 30' ' ' THR . . . . . . . . . . . . . 9.9 m . . . . . 0 C--O 1.253 1.281 0 CA-C-O 117.986 -1.007 . . . . 0.0 108.959 178.963 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.191 0 CA-C-O 119.755 -0.469 . . . . 0.0 113.055 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' K' K ' 2' ' ' ILE . . . . . 0.853 HG22 ' H ' ' K' ' 3' ' ' VAL . 8.7 tt 33.26 -89.09 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 C-N-CA 124.994 1.318 . . . . 0.0 114.113 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' K' K ' 3' ' ' VAL . . . . . 0.853 ' H ' HG22 ' K' ' 2' ' ' ILE . 4.1 t -57.25 -54.27 32.73 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 CA-C-O 120.963 0.411 . . . . 0.0 110.927 -178.761 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' K' K ' 4' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -58.66 -39.38 80.47 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.331 0.586 . . . . 0.0 110.607 179.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' K' K ' 5' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -63.35 -48.27 78.65 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.239 -0.891 . . . . 0.0 111.957 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' K' K ' 6' ' ' CYS . . . . . 0.535 ' HB3' ' H2 ' ' K' ' 22' ' ' IPH . 72.8 m -82.49 -16.03 50.26 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 -177.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' K' K ' 7' ' ' CYS . . . . . . . . . . . . . 42.3 t -77.21 -7.35 55.74 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.563 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' K' K ' 8' ' ' THR . . . . . . . . . . . . . 45.4 p -68.04 -65.5 0.69 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.506 179.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' K' K ' 9' ' ' SER . . . . . 0.487 ' O ' ' HB ' ' K' ' 10' ' ' ILE . 10.6 t -156.81 36.16 0.3 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.202 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' K' K ' 10' ' ' ILE . . . . . 0.487 ' HB ' ' O ' ' K' ' 9' ' ' SER . 2.3 mp 73.98 140.02 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.823 179.573 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' K' K ' 11' ' ' CYS . . . . . . . . . . . . . 75.1 m -103.3 177.24 4.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.384 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' K' K ' 12' ' ' SER . . . . . 0.507 ' HB3' ' HG3' ' K' ' 15' ' ' GLN . 30.3 t -80.87 148.39 29.94 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 177.071 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' K' K ' 13' ' ' LEU . . . . . 0.652 ' HG ' HG23 ' L' ' 18' ' ' VAL . 9.8 tt -60.23 -34.35 73.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.007 0.432 . . . . 0.0 110.564 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -65.82 -26.42 67.67 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.412 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' K' K ' 15' ' ' GLN . . . . . 0.507 ' HG3' ' HB3' ' K' ' 12' ' ' SER . 22.3 mt-30 -77.81 -34.67 51.95 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.599 179.702 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' K' K ' 16' ' ' LEU . . . . . 0.451 HD21 HD22 ' L' ' 15' ' ' LEU . 80.3 mt -66.72 -31.15 71.62 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.469 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' K' K ' 17' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -59.81 -31.19 69.48 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.948 179.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' K' K ' 18' ' ' ASN . . . . . . . . . . . . . 60.2 m-20 -74.34 -13.95 60.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.475 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' K' K ' 19' ' ' TYR . . . . . . . . . . . . . 9.3 m-30 -102.4 4.51 38.97 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.13 0.491 . . . . 0.0 110.705 -178.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' K' K ' 20' ' ' CYS . . . . . . . . . . . . . 19.7 t -91.94 157.68 16.69 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.338 -179.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' K' K ' 21' ' ' ASN . . . . . 0.417 ' C ' HH21 ' L' ' 22' ' ' ARG . 23.2 t-20 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.435 -0.793 . . . . 0.0 109.615 179.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' L' L ' 1' ' ' PHE . . . . . 0.666 ' O ' HG21 ' L' ' 2' ' ' VAL . 51.5 t80 . . . . . 0 N--CA 1.482 1.152 0 N-CA-C 111.38 0.141 . . . . 0.0 111.38 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' L' L ' 2' ' ' VAL . . . . . 0.666 HG21 ' O ' ' L' ' 1' ' ' PHE . 20.4 m 48.81 -156.6 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 124.235 1.014 . . . . 0.0 112.618 -179.064 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' L' L ' 3' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -137.82 175.59 9.45 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.747 0.308 . . . . 0.0 110.674 -178.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' L' L ' 4' ' ' GLN . . . . . 0.713 ' HA ' ' HB3' ' L' ' 7' ' ' CYS . 6.0 tt0 -51.0 -29.72 13.17 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 123.999 0.92 . . . . 0.0 110.333 178.488 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' L' L ' 5' ' ' HIS . . . . . . . . . . . . . 77.8 t60 -48.58 -44.46 36.78 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 115.289 -0.868 . . . . 0.0 111.023 179.171 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' L' L ' 6' ' ' LEU . . . . . 0.536 HD23 ' H4 ' ' C' ' 22' ' ' IPH . 80.5 mt -95.5 -30.01 14.08 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.45 0.643 . . . . 0.0 110.619 179.589 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' L' L ' 7' ' ' CYS . . . . . 0.713 ' HB3' ' HA ' ' L' ' 4' ' ' GLN . 32.1 t -59.68 -39.59 85.03 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.171 179.566 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' L' L ' 8' ' ' GLY . . . . . 0.498 ' HA3' ' OH ' ' L' ' 26' ' ' TYR . . . -69.01 -19.6 73.9 Favored Glycine 0 N--CA 1.449 -0.473 0 CA-C-N 115.972 -0.558 . . . . 0.0 113.935 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' L' L ' 9' ' ' SER . . . . . 1.049 ' HB2' ' HG2' ' J' ' 13' ' ' GLU . 9.8 p -66.2 -18.81 65.58 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 117.348 0.574 . . . . 0.0 110.636 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' L' L ' 10' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -104.51 -19.94 13.86 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.367 -179.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' L' L ' 11' ' ' LEU . . . . . 0.486 ' CD2' ' H3 ' ' K' ' 22' ' ' IPH . 41.4 mt -72.64 -34.21 67.13 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 177.128 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' L' L ' 12' ' ' VAL . . . . . 0.684 HG23 HG23 ' J' ' 12' ' ' VAL . 28.1 m -68.1 -29.85 46.01 Favored 'Isoleucine or valine' 0 C--O 1.231 0.105 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.461 178.626 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' L' L ' 13' ' ' GLU . . . . . 1.07 ' HG2' ' HB2' ' J' ' 9' ' ' SER . 48.4 mt-10 -60.88 -32.62 72.06 Favored 'General case' 0 CA--C 1.522 -0.134 0 CA-C-O 121.363 0.602 . . . . 0.0 109.578 179.6 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' L' L ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.71 -35.66 22.37 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.474 -0.784 . . . . 0.0 109.966 178.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' L' L ' 15' ' ' LEU . . . . . 0.495 ' HB2' ' HA ' ' L' ' 12' ' ' VAL . 15.4 mt -57.76 -54.87 41.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.73 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' L' L ' 16' ' ' TYR . . . . . 0.795 ' CE2' ' HA ' ' L' ' 13' ' ' GLU . 1.7 p90 -65.54 -23.91 66.98 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.886 -178.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' L' L ' 17' ' ' LEU . . . . . 0.41 HD13 ' H5 ' ' E' ' 22' ' ' IPH . 2.7 tt -69.6 -40.51 76.61 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 -179.475 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' L' L ' 18' ' ' VAL . . . . . 0.652 HG23 ' HG ' ' K' ' 13' ' ' LEU . 57.3 t -67.89 -37.42 78.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 178.239 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' L' L ' 19' ' ' CYS . . . . . 0.804 ' HB3' ' HB2' ' L' ' 22' ' ' ARG . 84.3 m -68.89 -36.56 78.2 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.388 179.329 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' L' L ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.88 -87.06 1.16 Allowed Glycine 0 N--CA 1.448 -0.513 0 N-CA-C 111.338 -0.705 . . . . 0.0 111.338 -179.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' L' L ' 21' ' ' GLU . . . . . 0.534 ' HG2' ' HD2' ' J' ' 29' ' ' LYS . 17.8 tt0 -120.94 35.89 4.75 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.706 0.765 . . . . 0.0 109.221 179.134 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' L' L ' 22' ' ' ARG . . . . . 0.804 ' HB2' ' HB3' ' L' ' 19' ' ' CYS . 79.4 mtp180 -123.56 169.68 11.19 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.036 -0.983 . . . . 0.0 109.743 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' L' L ' 23' ' ' GLY . . . . . . . . . . . . . . . -110.3 -177.02 20.89 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.767 -0.73 . . . . 0.0 111.721 179.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' L' L ' 24' ' ' PHE . . . . . 0.533 ' HE2' ' HB3' ' L' ' 16' ' ' TYR . 12.4 p90 -157.54 163.87 37.93 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.955 0.407 . . . . 0.0 110.783 179.654 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' L' L ' 25' ' ' PHE . . . . . . . . . . . . . 13.5 m-30 -100.4 110.55 22.75 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 179.105 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' L' L ' 26' ' ' TYR . . . . . 0.507 ' HB2' ' HE1' ' L' ' 24' ' ' PHE . 65.1 t80 -100.51 111.79 24.09 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.79 0.329 . . . . 0.0 111.664 -178.592 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' L' L ' 27' ' ' THR . . . . . . . . . . . . . 5.1 p -125.06 95.44 41.86 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.07 179.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' L' L ' 28' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -77.78 45.14 1.7 Allowed 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 123.002 2.468 . . . . 0.0 112.657 -179.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' L' L ' 29' ' ' LYS . . . . . 0.575 ' HD2' ' HG2' ' J' ' 21' ' ' GLU . 45.4 tttm -162.68 147.5 11.95 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.538 179.717 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' L' L ' 30' ' ' THR . . . . . . . . . . . . . 16.9 m . . . . . 0 C--O 1.251 1.142 0 CA-C-O 117.681 -1.152 . . . . 0.0 108.654 178.723 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' IPH . . . . . 0.564 ' H4 ' HD23 ' F' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 22' ' ' IPH . . . . . 0.56 ' H2 ' ' HB3' ' C' ' 6' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 22' ' ' IPH . . . . . 0.564 ' H2 ' ' HB3' ' E' ' 6' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 22' ' ' IPH . . . . . 0.554 ' H4 ' HD23 ' D' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 22' ' ' IPH . . . . . 0.558 ' H4 ' HD23 ' B' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' K' K ' 22' ' ' IPH . . . . . 0.565 ' H4 ' HD23 ' H' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.712 0 N-CA-C 111.753 -0.539 . . . . 0.0 111.753 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.536 HD12 HD13 ' B' ' 15' ' ' LEU . 5.5 tt -151.24 -39.8 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 120.89 0.376 . . . . 0.0 111.093 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.427 ' CG1' ' HG3' ' B' ' 4' ' ' GLN . 52.2 t -62.37 -72.48 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.324 -179.422 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 76.4 tt0 -60.06 -34.77 73.87 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.65 0.262 . . . . 0.0 110.831 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.577 ' HG2' ' SG ' ' A' ' 11' ' ' CYS . 35.6 tt0 -52.55 -42.99 64.92 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.96 179.735 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.691 ' HB3' ' H2 ' ' A' ' 22' ' ' IPH . 73.3 m -98.69 -29.04 13.25 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -179.292 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.711 ' HB2' HD13 ' B' ' 11' ' ' LEU . 49.4 t -81.76 44.93 0.85 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.607 0.718 . . . . 0.0 111.189 -179.716 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -133.47 -63.07 0.76 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.64 178.3 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.442 ' O ' ' HB ' ' A' ' 10' ' ' ILE . 7.8 t -144.24 25.56 1.54 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.252 -0.431 . . . . 0.0 109.996 179.227 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.53 HD13 ' HB ' ' F' ' 2' ' ' VAL . 2.0 mp 71.43 145.98 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.526 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.577 ' SG ' ' HG2' ' A' ' 5' ' ' GLN . 74.3 m -100.83 166.74 10.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.856 0.36 . . . . 0.0 110.475 179.702 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.9 t -72.84 158.15 36.09 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 178.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.422 HD22 HG12 ' B' ' 18' ' ' VAL . 10.1 tt -60.85 -56.36 22.11 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.472 -179.122 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -65.56 -16.87 64.11 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 111.42 0.155 . . . . 0.0 111.42 -179.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.557 HE21 ' NE2' ' A' ' 5' ' ' GLN . 36.2 tt0 -77.14 -24.18 51.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.827 0.346 . . . . 0.0 110.11 179.459 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 97.8 mt -80.34 -26.76 38.54 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 179.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.691 ' HA ' ' SG ' ' A' ' 20' ' ' CYS . 0.5 OUTLIER -62.85 -19.32 64.01 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.958 179.096 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -63.85 -16.33 61.08 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.493 179.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -114.81 2.08 14.28 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -178.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.691 ' SG ' ' HA ' ' A' ' 17' ' ' GLU . 81.1 m -74.18 139.34 44.39 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.749 0.309 . . . . 0.0 111.131 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.8 m120 . . . . . 0 C--O 1.241 0.625 0 CA-C-O 118.762 -0.637 . . . . 0.0 110.261 179.779 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 5.9 p90 . . . . . 0 N--CA 1.481 1.117 0 N-CA-C 109.697 -0.482 . . . . 0.0 109.697 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . 0.588 HG22 ' HB2' ' B' ' 6' ' ' LEU . 16.9 m -117.71 176.2 2.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 C-N-CA 120.335 -0.546 . . . . 0.0 110.883 179.397 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . 0.455 ' H ' ' CD1' ' I' ' 10' ' ' ILE . 61.6 t30 -107.33 -179.15 3.84 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.913 -178.68 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . 0.65 ' HA ' ' HB3' ' B' ' 7' ' ' CYS . 0.2 OUTLIER -49.85 -29.8 8.72 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 123.805 0.842 . . . . 0.0 111.77 179.544 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . 0.595 ' NE2' ' HG ' ' D' ' 17' ' ' LEU . 42.2 t60 -57.36 -20.69 30.91 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.806 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.588 ' HB2' HG22 ' B' ' 2' ' ' VAL . 31.1 mt -120.04 -21.83 6.92 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.397 0.618 . . . . 0.0 110.256 178.641 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . 0.65 ' HB3' ' HA ' ' B' ' 4' ' ' GLN . 34.6 t -73.18 -36.64 66.62 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.226 -179.735 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . 0.408 ' HA3' ' OH ' ' B' ' 26' ' ' TYR . . . -52.09 -49.94 47.59 Favored Glycine 0 C--O 1.228 -0.279 0 N-CA-C 114.583 0.593 . . . . 0.0 114.583 -179.21 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' SER . . . . . 0.58 ' OG ' ' HB3' ' D' ' 13' ' ' GLU . 32.7 t -50.29 -44.57 53.97 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -178.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -70.51 -17.26 62.95 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.876 -0.602 . . . . 0.0 112.357 -178.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.711 HD13 ' HB2' ' A' ' 7' ' ' CYS . 12.2 mt -88.18 -34.81 17.69 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 107.207 -1.405 . . . . 0.0 107.207 176.311 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 1.052 HG13 HG13 ' D' ' 12' ' ' VAL . 51.6 t -66.17 -47.69 83.81 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 CA-C-N 114.421 -1.263 . . . . 0.0 112.188 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.57 ' HB3' ' OG ' ' D' ' 9' ' ' SER . 14.1 pt-20 -54.58 -40.43 68.79 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.709 0.29 . . . . 0.0 111.442 -178.69 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . 0.403 ' O ' HG22 ' B' ' 18' ' ' VAL . . . -79.27 -31.1 43.32 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.124 178.609 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.536 HD13 HD12 ' A' ' 2' ' ' ILE . 0.9 OUTLIER -58.25 -60.19 4.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.203 179.623 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . 0.773 ' HB2' ' HG3' ' D' ' 28' ' ' PRO . 6.3 p90 -69.79 -18.3 63.47 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 120.396 -0.521 . . . . 0.0 110.829 -179.332 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.603 ' HG ' ' NE2' ' D' ' 5' ' ' HIS . 4.7 tt -69.59 -38.26 77.24 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 178.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.422 HG12 HD22 ' A' ' 13' ' ' LEU . 71.7 t -70.76 -42.98 77.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.387 178.27 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 84.2 m -62.3 -32.51 73.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.318 179.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.64 -102.35 0.88 Allowed Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 115.859 -0.609 . . . . 0.0 112.939 179.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -87.17 -1.55 57.98 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.189 0.518 . . . . 0.0 110.514 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 66.7 mtt85 -101.52 156.38 17.51 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.264 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . 0.846 ' HA2' ' HD2' ' D' ' 28' ' ' PRO . . . -101.62 -159.44 26.82 Favored Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 120.598 -0.81 . . . . 0.0 112.052 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . 0.866 ' HZ ' HG12 ' B' ' 12' ' ' VAL . 6.0 p90 -172.22 -176.22 1.58 Allowed 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 9.1 p90 -125.17 150.76 46.63 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 178.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.408 ' OH ' ' HA3' ' B' ' 8' ' ' GLY . 71.4 t80 -145.52 119.52 9.38 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.632 -0.427 . . . . 0.0 111.304 -179.289 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' THR . . . . . 0.656 HG21 ' HA3' ' D' ' 23' ' ' GLY . 6.9 p -124.09 99.33 37.74 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.768 178.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . 0.806 ' HD2' ' HA2' ' D' ' 23' ' ' GLY . 69.3 Cg_endo -74.48 55.34 3.63 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 123.169 2.579 . . . . 0.0 113.787 -178.475 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 4.8 ttpm? -124.57 -109.14 0.32 Allowed 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 178.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 62.5 m . . . . . 0 C--O 1.254 1.338 0 CA-C-O 117.528 -1.225 . . . . 0.0 108.135 178.907 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.67 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 2' ' ' ILE . . . . . 0.544 HD12 HD13 ' D' ' 15' ' ' LEU . 5.0 tt -152.49 -38.79 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 O-C-N 122.401 -0.47 . . . . 0.0 110.87 -179.69 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 3' ' ' VAL . . . . . 0.422 ' CG1' ' HG3' ' D' ' 4' ' ' GLN . 49.6 t -62.89 -73.4 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.156 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 74.9 tt0 -59.46 -34.89 73.09 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.631 0.253 . . . . 0.0 111.08 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 5' ' ' GLN . . . . . 0.581 ' HG2' ' SG ' ' C' ' 11' ' ' CYS . 35.8 tt0 -52.4 -42.68 64.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.972 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 6' ' ' CYS . . . . . 0.679 ' HB3' ' H2 ' ' C' ' 22' ' ' IPH . 74.5 m -99.03 -29.07 13.11 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -179.405 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 7' ' ' CYS . . . . . 0.704 ' HB2' HD13 ' D' ' 11' ' ' LEU . 49.8 t -81.68 45.31 0.88 Allowed 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.633 0.73 . . . . 0.0 111.14 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -133.78 -63.37 0.74 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.467 178.246 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 9' ' ' SER . . . . . 0.478 ' O ' ' HB ' ' C' ' 10' ' ' ILE . 8.6 t -143.47 23.45 1.8 Allowed 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.352 179.486 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . 0.535 HD13 ' HB ' ' L' ' 2' ' ' VAL . 1.9 mp 73.82 146.25 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.081 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 11' ' ' CYS . . . . . 0.581 ' SG ' ' HG2' ' C' ' 5' ' ' GLN . 73.0 m -101.3 167.17 10.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.886 0.374 . . . . 0.0 110.36 179.629 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 17.1 t -74.47 156.6 36.76 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 179.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 13' ' ' LEU . . . . . 0.42 HD22 HG12 ' D' ' 18' ' ' VAL . 10.0 tt -58.52 -56.85 16.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.879 -179.013 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -65.88 -15.83 63.29 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.709 0.29 . . . . 0.0 111.499 -179.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . 0.527 HE21 ' NE2' ' C' ' 5' ' ' GLN . 36.4 tt0 -78.15 -23.84 47.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.96 0.41 . . . . 0.0 110.014 179.462 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 97.6 mt -80.78 -26.53 37.16 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.111 0.481 . . . . 0.0 109.846 178.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 17' ' ' GLU . . . . . 0.682 ' HA ' ' SG ' ' C' ' 20' ' ' CYS . 0.9 OUTLIER -62.61 -20.1 64.41 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.907 179.049 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -63.05 -17.64 62.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.354 179.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -113.09 1.24 15.24 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -177.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 20' ' ' CYS . . . . . 0.682 ' SG ' ' HA ' ' C' ' 17' ' ' GLU . 84.9 m -73.18 141.69 47.39 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.75 0.31 . . . . 0.0 111.153 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 3.1 m120 . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.873 -0.584 . . . . 0.0 109.579 179.576 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 6.3 p90 . . . . . 0 N--CA 1.481 1.101 0 N-CA-C 109.549 -0.538 . . . . 0.0 109.549 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 2' ' ' VAL . . . . . 0.572 HG22 ' HB2' ' D' ' 6' ' ' LEU . 17.0 m -117.66 175.16 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 C-N-CA 120.462 -0.495 . . . . 0.0 110.88 179.504 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 3' ' ' ASN . . . . . 0.446 ' H ' ' CD1' ' G' ' 10' ' ' ILE . 62.4 t30 -106.17 -178.45 3.65 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.246 -178.524 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 4' ' ' GLN . . . . . 0.656 ' HA ' ' HB3' ' D' ' 7' ' ' CYS . 0.3 OUTLIER -50.86 -29.3 11.49 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 123.844 0.858 . . . . 0.0 111.596 179.515 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' D' D ' 5' ' ' HIS . . . . . 0.603 ' NE2' ' HG ' ' B' ' 17' ' ' LEU . 42.9 t60 -57.73 -20.53 35.18 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.948 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 6' ' ' LEU . . . . . 0.572 ' HB2' HG22 ' D' ' 2' ' ' VAL . 31.2 mt -120.5 -20.82 7.02 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.338 0.59 . . . . 0.0 110.231 178.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 7' ' ' CYS . . . . . 0.656 ' HB3' ' HA ' ' D' ' 4' ' ' GLN . 29.8 t -73.97 -36.6 64.59 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.161 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 8' ' ' GLY . . . . . 0.41 ' HA3' ' OH ' ' D' ' 26' ' ' TYR . . . -52.16 -50.29 46.57 Favored Glycine 0 C--O 1.227 -0.282 0 CA-C-N 116.003 -0.544 . . . . 0.0 114.413 -179.381 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 9' ' ' SER . . . . . 0.57 ' OG ' ' HB3' ' B' ' 13' ' ' GLU . 28.9 t -50.05 -44.63 51.69 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -178.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 10' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -70.48 -17.65 62.97 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.409 -178.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 11' ' ' LEU . . . . . 0.704 HD13 ' HB2' ' C' ' 7' ' ' CYS . 11.3 mt -87.56 -35.06 18.34 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 176.203 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . 1.052 HG13 HG13 ' B' ' 12' ' ' VAL . 50.5 t -66.0 -47.03 86.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 114.439 -1.255 . . . . 0.0 112.247 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 13' ' ' GLU . . . . . 0.58 ' HB3' ' OG ' ' B' ' 9' ' ' SER . 15.9 pt-20 -55.29 -39.78 70.3 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.552 0.215 . . . . 0.0 111.36 -178.662 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 14' ' ' ALA . . . . . 0.4 ' O ' HG22 ' D' ' 18' ' ' VAL . . . -79.83 -31.12 40.58 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.978 0.418 . . . . 0.0 110.014 178.391 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 15' ' ' LEU . . . . . 0.544 HD13 HD12 ' C' ' 2' ' ' ILE . 0.9 OUTLIER -57.99 -60.15 4.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.315 179.746 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' D' D ' 16' ' ' TYR . . . . . 0.786 ' HB2' ' HG3' ' B' ' 28' ' ' PRO . 5.8 p90 -70.03 -17.86 63.28 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.469 -0.492 . . . . 0.0 110.906 -179.434 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . 0.595 ' HG ' ' NE2' ' B' ' 5' ' ' HIS . 4.8 tt -70.01 -38.14 75.87 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 178.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . 0.42 HG12 HD22 ' C' ' 13' ' ' LEU . 72.4 t -70.98 -42.88 77.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.377 178.239 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 19' ' ' CYS . . . . . 0.412 ' HB3' ' HB2' ' D' ' 22' ' ' ARG . 83.3 m -62.32 -32.48 73.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.22 179.2 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.12 -102.08 0.88 Allowed Glycine 0 C--N 1.333 0.397 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.891 179.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -87.71 -2.51 58.66 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.324 0.583 . . . . 0.0 110.459 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 22' ' ' ARG . . . . . 0.412 ' HB2' ' HB3' ' D' ' 19' ' ' CYS . 68.2 mtt85 -100.11 157.09 16.81 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.267 179.699 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 23' ' ' GLY . . . . . 0.806 ' HA2' ' HD2' ' B' ' 28' ' ' PRO . . . -102.66 -159.74 25.79 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.665 -0.779 . . . . 0.0 111.994 179.721 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 24' ' ' PHE . . . . . 0.855 ' HZ ' HG12 ' D' ' 12' ' ' VAL . 6.0 p90 -171.68 -175.36 1.55 Allowed 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 25' ' ' PHE . . . . . . . . . . . . . 9.1 p90 -126.22 150.41 48.39 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 178.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 26' ' ' TYR . . . . . 0.41 ' OH ' ' HA3' ' D' ' 8' ' ' GLY . 72.6 t80 -145.28 119.1 9.25 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.985 0.422 . . . . 0.0 111.489 -179.256 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 27' ' ' THR . . . . . 0.664 HG21 ' HA3' ' B' ' 23' ' ' GLY . 5.5 p -123.61 99.47 39.1 Favored Pre-proline 0 C--N 1.321 -0.67 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.783 179.043 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 28' ' ' PRO . . . . . 0.846 ' HD2' ' HA2' ' B' ' 23' ' ' GLY . 66.4 Cg_endo -74.26 54.88 3.39 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 123.137 2.558 . . . . 0.0 113.842 -178.412 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 29' ' ' LYS . . . . . 0.41 ' HB3' ' H ' ' D' ' 30' ' ' THR . 4.7 ttpm? -124.14 -109.35 0.32 Allowed 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 178.733 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 30' ' ' THR . . . . . 0.41 ' H ' ' HB3' ' D' ' 29' ' ' LYS . 90.3 m . . . . . 0 C--O 1.25 1.126 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 179.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.695 0 N-CA-C 112.146 -0.381 . . . . 0.0 112.146 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' E' E ' 2' ' ' ILE . . . . . 0.548 HD12 HD13 ' F' ' 15' ' ' LEU . 5.9 tt -152.75 -39.56 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-O 120.81 0.338 . . . . 0.0 111.085 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 3' ' ' VAL . . . . . 0.42 ' CG1' ' HG3' ' F' ' 4' ' ' GLN . 53.8 t -63.2 -71.83 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.695 -179.322 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 4' ' ' GLU . . . . . . . . . . . . . 77.1 tt0 -60.99 -35.57 77.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.579 0.228 . . . . 0.0 110.723 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 5' ' ' GLN . . . . . 0.567 ' HG2' ' SG ' ' E' ' 11' ' ' CYS . 34.9 tt0 -51.31 -41.91 60.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.122 179.536 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 6' ' ' CYS . . . . . 0.665 ' HB3' ' H2 ' ' E' ' 22' ' ' IPH . 73.0 m -99.85 -29.08 12.8 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.92 -179.329 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 7' ' ' CYS . . . . . 0.726 ' HB2' HD13 ' F' ' 11' ' ' LEU . 47.7 t -82.14 46.31 1.01 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.738 0.78 . . . . 0.0 111.05 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -134.77 -62.62 0.73 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.479 178.398 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 9' ' ' SER . . . . . 0.472 ' O ' ' HB ' ' E' ' 10' ' ' ILE . 8.7 t -144.35 23.4 1.64 Allowed 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.047 179.506 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 10' ' ' ILE . . . . . 0.526 HD13 ' HB ' ' J' ' 2' ' ' VAL . 1.9 mp 73.55 146.53 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.654 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.144 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 11' ' ' CYS . . . . . 0.567 ' SG ' ' HG2' ' E' ' 5' ' ' GLN . 70.8 m -100.83 168.86 9.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.718 0.294 . . . . 0.0 110.488 179.685 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 12' ' ' SER . . . . . . . . . . . . . 21.3 t -76.17 156.81 33.37 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 178.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 13' ' ' LEU . . . . . 0.412 HD22 HG12 ' F' ' 18' ' ' VAL . 10.1 tt -58.74 -56.73 18.46 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.638 -178.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -66.19 -14.53 62.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.661 0.267 . . . . 0.0 111.589 -179.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . 0.531 HE21 ' NE2' ' E' ' 5' ' ' GLN . 37.1 tt0 -79.13 -24.12 43.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.986 0.422 . . . . 0.0 109.976 179.32 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 16' ' ' LEU . . . . . . . . . . . . . 97.7 mt -80.53 -26.53 38.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.001 178.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 17' ' ' GLU . . . . . 0.688 ' HA ' ' SG ' ' E' ' 20' ' ' CYS . 0.9 OUTLIER -63.41 -18.52 63.8 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.9 179.043 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' E' E ' 18' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -64.25 -16.87 62.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.285 178.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 19' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -113.74 0.69 14.61 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -178.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 20' ' ' CYS . . . . . 0.688 ' SG ' ' HA ' ' E' ' 17' ' ' GLU . 79.7 m -71.91 143.04 49.48 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.904 0.383 . . . . 0.0 111.185 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 21' ' ' ASN . . . . . . . . . . . . . 2.9 m120 . . . . . 0 C--O 1.246 0.919 0 CA-C-O 118.907 -0.568 . . . . 0.0 109.872 179.565 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' F' F ' 1' ' ' PHE . . . . . . . . . . . . . 5.8 p90 . . . . . 0 N--CA 1.482 1.157 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' F' F ' 2' ' ' VAL . . . . . 0.583 HG22 ' HB2' ' F' ' 6' ' ' LEU . 17.5 m -118.48 175.93 3.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 C-N-CA 120.342 -0.543 . . . . 0.0 110.838 179.603 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 3' ' ' ASN . . . . . 0.445 ' H ' ' CD1' ' A' ' 10' ' ' ILE . 61.5 t30 -106.92 -179.22 3.87 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.165 -178.543 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 4' ' ' GLN . . . . . 0.629 ' HA ' ' HB3' ' F' ' 7' ' ' CYS . 0.3 OUTLIER -50.02 -29.68 9.16 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 123.755 0.822 . . . . 0.0 111.712 179.427 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' F' F ' 5' ' ' HIS . . . . . 0.602 ' NE2' ' HG ' ' H' ' 17' ' ' LEU . 44.6 t60 -57.5 -20.8 33.61 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.867 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 6' ' ' LEU . . . . . 0.583 ' HB2' HG22 ' F' ' 2' ' ' VAL . 30.4 mt -119.85 -21.3 7.24 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.276 0.56 . . . . 0.0 110.311 178.69 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 7' ' ' CYS . . . . . 0.629 ' HB3' ' HA ' ' F' ' 4' ' ' GLN . 32.5 t -73.6 -36.57 65.53 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.108 -179.68 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 8' ' ' GLY . . . . . 0.421 ' HA3' ' OH ' ' F' ' 26' ' ' TYR . . . -51.99 -50.56 44.41 Favored Glycine 0 N--CA 1.452 -0.265 0 CA-C-N 115.92 -0.582 . . . . 0.0 114.413 -179.152 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 9' ' ' SER . . . . . 0.57 ' OG ' ' HB3' ' H' ' 13' ' ' GLU . 29.5 t -49.99 -44.45 50.99 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.416 0.524 . . . . 0.0 112.416 -179.052 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 10' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -70.54 -17.46 62.94 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.266 -178.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 11' ' ' LEU . . . . . 0.726 HD13 ' HB2' ' E' ' 7' ' ' CYS . 11.4 mt -88.11 -34.09 18.03 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 176.283 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 12' ' ' VAL . . . . . 1.069 HG13 HG13 ' H' ' 12' ' ' VAL . 50.7 t -66.61 -47.56 83.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 114.421 -1.263 . . . . 0.0 112.319 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 13' ' ' GLU . . . . . 0.579 ' HB3' ' OG ' ' H' ' 9' ' ' SER . 13.9 pt-20 -54.57 -40.65 68.97 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.607 0.242 . . . . 0.0 111.384 -178.749 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.27 -30.91 43.26 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.954 0.407 . . . . 0.0 110.226 178.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 15' ' ' LEU . . . . . 0.548 HD13 HD12 ' E' ' 2' ' ' ILE . 0.9 OUTLIER -58.37 -60.09 4.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.143 179.638 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' F' F ' 16' ' ' TYR . . . . . 0.8 ' HB2' ' HG3' ' H' ' 28' ' ' PRO . 5.9 p90 -69.73 -18.59 63.53 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.766 -179.448 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 17' ' ' LEU . . . . . 0.61 ' HG ' ' NE2' ' H' ' 5' ' ' HIS . 4.8 tt -69.2 -38.62 78.69 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 178.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . 0.412 HG12 HD22 ' E' ' 13' ' ' LEU . 72.8 t -70.86 -42.38 77.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.55 178.236 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 19' ' ' CYS . . . . . 0.411 ' HB3' ' HB2' ' F' ' 22' ' ' ARG . 79.1 m -62.43 -33.6 75.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.076 179.108 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.98 -102.93 1.05 Allowed Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.923 -0.58 . . . . 0.0 112.685 179.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 21' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -86.2 -4.64 59.21 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.203 0.525 . . . . 0.0 110.408 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 22' ' ' ARG . . . . . 0.411 ' HB2' ' HB3' ' F' ' 19' ' ' CYS . 67.7 mtt85 -97.63 157.12 16.21 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.539 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 23' ' ' GLY . . . . . 0.822 ' HA2' ' HD2' ' H' ' 28' ' ' PRO . . . -102.94 -160.08 25.53 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.78 -0.724 . . . . 0.0 111.834 179.713 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 24' ' ' PHE . . . . . 0.844 ' HZ ' HG12 ' F' ' 12' ' ' VAL . 6.1 p90 -171.75 -176.08 1.68 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 25' ' ' PHE . . . . . . . . . . . . . 9.3 p90 -125.28 151.31 46.13 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 178.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 26' ' ' TYR . . . . . 0.421 ' OH ' ' HA3' ' F' ' 8' ' ' GLY . 72.7 t80 -146.06 119.1 8.79 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.623 -0.431 . . . . 0.0 111.37 -179.28 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 27' ' ' THR . . . . . 0.612 HG21 ' HA3' ' H' ' 23' ' ' GLY . 7.6 p -123.28 99.38 40.27 Favored Pre-proline 0 C--N 1.319 -0.727 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.816 178.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 28' ' ' PRO . . . . . 0.849 ' HD2' ' HA2' ' H' ' 23' ' ' GLY . 74.2 Cg_endo -74.59 56.13 3.92 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 123.081 2.521 . . . . 0.0 113.948 -178.529 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 29' ' ' LYS . . . . . . . . . . . . . 4.9 ttpm? -125.31 -108.7 0.32 Allowed 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 178.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 30' ' ' THR . . . . . . . . . . . . . 59.8 m . . . . . 0 C--O 1.252 1.217 0 CA-C-O 117.465 -1.255 . . . . 0.0 107.668 178.812 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' G' G ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.921 0 N-CA-C 111.728 -0.549 . . . . 0.0 111.728 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' G' G ' 2' ' ' ILE . . . . . 0.548 HD12 HD13 ' H' ' 15' ' ' LEU . 6.0 tt -149.09 -40.05 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 120.895 0.379 . . . . 0.0 111.061 -179.709 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' G' G ' 3' ' ' VAL . . . . . 0.427 ' CG1' ' HG3' ' H' ' 4' ' ' GLN . 53.3 t -62.24 -71.97 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.579 -179.303 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' G' G ' 4' ' ' GLU . . . . . . . . . . . . . 72.2 tt0 -61.2 -33.93 74.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.716 0.293 . . . . 0.0 110.839 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 5' ' ' GLN . . . . . 0.602 ' HG2' ' SG ' ' G' ' 11' ' ' CYS . 35.0 tt0 -53.01 -42.28 65.48 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.105 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' G' G ' 6' ' ' CYS . . . . . 0.686 ' HB3' ' H2 ' ' G' ' 22' ' ' IPH . 74.1 m -99.56 -28.97 12.97 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 -179.275 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' G' G ' 7' ' ' CYS . . . . . 0.723 ' HB2' HD13 ' H' ' 11' ' ' LEU . 47.3 t -81.54 45.3 0.86 Allowed 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 121.501 0.667 . . . . 0.0 111.197 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' G' G ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -134.07 -63.03 0.74 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.473 178.383 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' G' G ' 9' ' ' SER . . . . . 0.454 ' O ' ' HB ' ' G' ' 10' ' ' ILE . 8.3 t -143.66 24.76 1.69 Allowed 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.046 179.388 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' G' G ' 10' ' ' ILE . . . . . 0.519 HD13 ' HB ' ' D' ' 2' ' ' VAL . 1.9 mp 71.89 145.05 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.23 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' G' G ' 11' ' ' CYS . . . . . 0.602 ' SG ' ' HG2' ' G' ' 5' ' ' GLN . 74.1 m -100.28 166.97 10.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.767 0.317 . . . . 0.0 110.33 179.548 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' G' G ' 12' ' ' SER . . . . . . . . . . . . . 13.3 t -74.09 156.65 37.2 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 179.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 13' ' ' LEU . . . . . . . . . . . . . 10.1 tt -58.95 -56.79 17.77 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.735 -178.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -66.06 -14.7 62.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.591 0.234 . . . . 0.0 111.514 -179.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 15' ' ' GLN . . . . . 0.506 HE21 ' NE2' ' G' ' 5' ' ' GLN . 35.9 tt0 -79.36 -23.97 43.01 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 179.477 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' G' G ' 16' ' ' LEU . . . . . . . . . . . . . 97.6 mt -80.3 -27.24 38.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.075 0.465 . . . . 0.0 109.908 178.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 17' ' ' GLU . . . . . 0.69 ' HA ' ' SG ' ' G' ' 20' ' ' CYS . 0.8 OUTLIER -62.45 -19.46 63.53 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.044 179.155 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' G' G ' 18' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -62.77 -19.64 64.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.251 178.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 19' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -111.45 1.46 16.98 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 -177.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 20' ' ' CYS . . . . . 0.69 ' SG ' ' HA ' ' G' ' 17' ' ' GLU . 84.2 m -73.7 140.5 46.08 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.934 0.397 . . . . 0.0 111.315 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' G' G ' 21' ' ' ASN . . . . . . . . . . . . . 3.0 m120 . . . . . 0 C--O 1.249 1.031 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.893 179.721 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' H' H ' 1' ' ' PHE . . . . . . . . . . . . . 6.1 p90 . . . . . 0 N--CA 1.483 1.182 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' H' H ' 2' ' ' VAL . . . . . 0.591 HG22 ' HB2' ' H' ' 6' ' ' LEU . 16.7 m -117.78 175.9 3.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 C-N-CA 120.2 -0.6 . . . . 0.0 110.947 179.549 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' H' H ' 3' ' ' ASN . . . . . 0.46 ' H ' ' CD1' ' K' ' 10' ' ' ILE . 59.6 t30 -106.79 -179.53 3.97 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.985 -178.633 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' H' H ' 4' ' ' GLN . . . . . 0.628 ' HA ' ' HB3' ' H' ' 7' ' ' CYS . 0.2 OUTLIER -49.55 -29.83 7.58 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 123.818 0.847 . . . . 0.0 111.733 179.348 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' H' H ' 5' ' ' HIS . . . . . 0.61 ' NE2' ' HG ' ' F' ' 17' ' ' LEU . 43.8 t60 -57.4 -20.37 29.39 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.89 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' H' H ' 6' ' ' LEU . . . . . 0.591 ' HB2' HG22 ' H' ' 2' ' ' VAL . 29.6 mt -120.78 -21.01 6.79 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.268 0.556 . . . . 0.0 110.17 178.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' H' H ' 7' ' ' CYS . . . . . 0.628 ' HB3' ' HA ' ' H' ' 4' ' ' GLN . 29.7 t -73.88 -36.53 64.81 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.101 -179.697 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' H' H ' 8' ' ' GLY . . . . . 0.416 ' HA3' ' OH ' ' H' ' 26' ' ' TYR . . . -52.15 -50.16 47.04 Favored Glycine 0 C--O 1.228 -0.245 0 N-CA-C 114.59 0.596 . . . . 0.0 114.59 -179.114 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' H' H ' 9' ' ' SER . . . . . 0.579 ' OG ' ' HB3' ' F' ' 13' ' ' GLU . 29.2 t -50.2 -44.34 53.01 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -178.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' H' H ' 10' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -70.67 -17.59 62.84 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.964 -0.562 . . . . 0.0 112.209 -178.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 11' ' ' LEU . . . . . 0.723 HD13 ' HB2' ' G' ' 7' ' ' CYS . 11.9 mt -87.8 -34.76 18.16 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 107.237 -1.394 . . . . 0.0 107.237 176.305 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' H' H ' 12' ' ' VAL . . . . . 1.069 HG13 HG13 ' F' ' 12' ' ' VAL . 50.7 t -66.34 -47.43 84.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 114.359 -1.292 . . . . 0.0 112.24 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' H' H ' 13' ' ' GLU . . . . . 0.57 ' HB3' ' OG ' ' F' ' 9' ' ' SER . 13.7 pt-20 -54.53 -40.57 68.78 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.585 0.231 . . . . 0.0 111.349 -178.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' H' H ' 14' ' ' ALA . . . . . 0.407 ' O ' HG22 ' H' ' 18' ' ' VAL . . . -79.31 -31.07 43.11 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.908 0.385 . . . . 0.0 110.055 178.591 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' H' H ' 15' ' ' LEU . . . . . 0.548 HD13 HD12 ' G' ' 2' ' ' ILE . 0.9 OUTLIER -58.17 -60.19 4.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.186 179.882 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' H' H ' 16' ' ' TYR . . . . . 0.755 ' HB2' ' HG3' ' F' ' 28' ' ' PRO . 5.7 p90 -69.77 -18.3 63.48 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 120.353 -0.539 . . . . 0.0 110.91 -179.443 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' H' H ' 17' ' ' LEU . . . . . 0.602 ' HG ' ' NE2' ' F' ' 5' ' ' HIS . 4.7 tt -69.41 -38.82 78.1 Favored 'General case' 0 C--O 1.23 0.069 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 178.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . 0.407 HG22 ' O ' ' H' ' 14' ' ' ALA . 69.3 t -70.37 -42.65 78.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.539 178.182 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' H' H ' 19' ' ' CYS . . . . . 0.401 ' HB3' ' HB2' ' H' ' 22' ' ' ARG . 85.7 m -62.38 -32.76 73.62 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.209 179.199 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' H' H ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.37 -101.26 0.81 Allowed Glycine 0 N--CA 1.449 -0.438 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.948 178.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 21' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -88.88 -0.71 57.62 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.114 0.483 . . . . 0.0 110.372 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 22' ' ' ARG . . . . . 0.401 ' HB2' ' HB3' ' H' ' 19' ' ' CYS . 69.5 mtt85 -102.19 156.07 17.8 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.091 179.735 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' H' H ' 23' ' ' GLY . . . . . 0.849 ' HA2' ' HD2' ' F' ' 28' ' ' PRO . . . -101.26 -159.6 27.2 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.091 179.537 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' H' H ' 24' ' ' PHE . . . . . 0.848 ' HZ ' HG12 ' H' ' 12' ' ' VAL . 5.8 p90 -172.25 -176.18 1.56 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' H' H ' 25' ' ' PHE . . . . . . . . . . . . . 9.0 p90 -125.08 151.43 45.67 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 178.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 26' ' ' TYR . . . . . 0.416 ' OH ' ' HA3' ' H' ' 8' ' ' GLY . 71.6 t80 -146.29 118.96 8.57 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.445 -179.261 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' H' H ' 27' ' ' THR . . . . . 0.634 HG21 ' HA3' ' F' ' 23' ' ' GLY . 6.8 p -123.63 99.42 39.09 Favored Pre-proline 0 C--N 1.318 -0.78 0 CA-C-N 116.187 -0.461 . . . . 0.0 109.856 178.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' H' H ' 28' ' ' PRO . . . . . 0.822 ' HD2' ' HA2' ' F' ' 23' ' ' GLY . 65.5 Cg_endo -74.26 55.29 3.5 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 123.185 2.59 . . . . 0.0 113.731 -178.322 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' H' H ' 29' ' ' LYS . . . . . . . . . . . . . 4.6 ttpm? -124.78 -109.87 0.32 Allowed 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 178.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 30' ' ' THR . . . . . . . . . . . . . 60.6 m . . . . . 0 C--O 1.251 1.165 0 CA-C-O 117.631 -1.176 . . . . 0.0 108.009 179.176 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' I' I ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.89 0 N-CA-C 112.227 -0.349 . . . . 0.0 112.227 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' I' I ' 2' ' ' ILE . . . . . 0.561 HD12 HD13 ' J' ' 15' ' ' LEU . 5.5 tt -151.13 -39.53 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-O 120.947 0.403 . . . . 0.0 110.978 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' I' I ' 3' ' ' VAL . . . . . 0.435 ' CG1' ' HG3' ' J' ' 4' ' ' GLN . 51.9 t -63.04 -71.83 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.449 -179.448 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' I' I ' 4' ' ' GLU . . . . . . . . . . . . . 72.1 tt0 -60.65 -34.8 74.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.718 0.294 . . . . 0.0 110.72 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 5' ' ' GLN . . . . . 0.593 ' HG2' ' SG ' ' I' ' 11' ' ' CYS . 34.9 tt0 -52.86 -41.79 64.62 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.255 179.586 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' I' I ' 6' ' ' CYS . . . . . 0.684 ' HB3' ' H2 ' ' I' ' 22' ' ' IPH . 73.7 m -100.03 -29.17 12.69 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 -179.399 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' I' I ' 7' ' ' CYS . . . . . 0.742 ' HB2' HD13 ' J' ' 11' ' ' LEU . 49.0 t -81.48 45.43 0.87 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.725 0.774 . . . . 0.0 111.168 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' I' I ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -134.08 -61.49 0.79 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.879 178.428 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' I' I ' 9' ' ' SER . . . . . 0.445 ' O ' ' HB ' ' I' ' 10' ' ' ILE . 8.6 t -146.01 25.03 1.3 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.843 179.471 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' I' I ' 10' ' ' ILE . . . . . 0.534 HD13 ' HB ' ' B' ' 2' ' ' VAL . 2.0 mp 71.28 143.88 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.551 179.716 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' I' I ' 11' ' ' CYS . . . . . 0.593 ' SG ' ' HG2' ' I' ' 5' ' ' GLN . 71.7 m -96.8 171.61 8.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.867 0.365 . . . . 0.0 110.717 179.473 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' I' I ' 12' ' ' SER . . . . . . . . . . . . . 23.2 t -78.66 158.16 28.46 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 178.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 13' ' ' LEU . . . . . 0.4 HD22 HG12 ' J' ' 18' ' ' VAL . 10.1 tt -59.91 -56.76 17.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.43 -179.169 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -65.54 -16.17 63.42 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.653 0.242 . . . . 0.0 111.653 -179.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 15' ' ' GLN . . . . . 0.527 HE21 ' NE2' ' I' ' 5' ' ' GLN . 36.5 tt0 -77.67 -24.27 49.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.904 0.383 . . . . 0.0 110.01 179.341 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' I' I ' 16' ' ' LEU . . . . . . . . . . . . . 97.8 mt -80.35 -26.65 38.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.226 0.536 . . . . 0.0 110.02 178.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 17' ' ' GLU . . . . . 0.669 ' HA ' ' SG ' ' I' ' 20' ' ' CYS . 0.8 OUTLIER -63.11 -18.98 64.0 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.024 179.23 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' I' I ' 18' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -64.63 -15.1 60.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.411 179.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 19' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -115.69 1.12 13.43 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 -178.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 20' ' ' CYS . . . . . 0.669 ' SG ' ' HA ' ' I' ' 17' ' ' GLU . 81.1 m -73.42 140.08 46.29 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.865 0.364 . . . . 0.0 111.163 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' I' I ' 21' ' ' ASN . . . . . . . . . . . . . 2.8 m120 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.747 -0.644 . . . . 0.0 109.85 179.803 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' J' J ' 1' ' ' PHE . . . . . . . . . . . . . 6.2 p90 . . . . . 0 N--CA 1.483 1.186 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' J' J ' 2' ' ' VAL . . . . . 0.605 HG22 ' HB2' ' J' ' 6' ' ' LEU . 16.4 m -116.9 176.57 2.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 C-N-CA 120.174 -0.611 . . . . 0.0 111.08 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' J' J ' 3' ' ' ASN . . . . . 0.434 ' H ' ' CD1' ' E' ' 10' ' ' ILE . 61.8 t30 -107.5 -179.67 3.98 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.964 -178.628 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' J' J ' 4' ' ' GLN . . . . . 0.639 ' HA ' ' HB3' ' J' ' 7' ' ' CYS . 0.2 OUTLIER -49.65 -29.04 6.62 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.874 0.869 . . . . 0.0 111.695 179.259 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' J' J ' 5' ' ' HIS . . . . . 0.615 ' NE2' ' HG ' ' L' ' 17' ' ' LEU . 46.7 t60 -58.31 -20.45 43.09 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.797 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' J' J ' 6' ' ' LEU . . . . . 0.605 ' HB2' HG22 ' J' ' 2' ' ' VAL . 29.9 mt -120.1 -21.35 7.07 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.31 0.576 . . . . 0.0 110.29 178.644 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' J' J ' 7' ' ' CYS . . . . . 0.639 ' HB3' ' HA ' ' J' ' 4' ' ' GLN . 31.8 t -73.51 -36.45 65.74 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.252 -179.703 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' J' J ' 8' ' ' GLY . . . . . 0.421 ' HA3' ' OH ' ' J' ' 26' ' ' TYR . . . -52.24 -50.45 46.39 Favored Glycine 0 N--CA 1.451 -0.329 0 CA-C-N 115.94 -0.573 . . . . 0.0 114.478 -179.084 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' J' J ' 9' ' ' SER . . . . . 0.562 ' OG ' ' HB3' ' L' ' 13' ' ' GLU . 30.0 t -49.77 -44.48 48.83 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -179.12 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' J' J ' 10' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -70.76 -17.5 62.79 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.055 -0.521 . . . . 0.0 112.266 -178.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 11' ' ' LEU . . . . . 0.742 HD13 ' HB2' ' I' ' 7' ' ' CYS . 11.8 mt -87.71 -34.75 18.28 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 107.222 -1.399 . . . . 0.0 107.222 176.393 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' J' J ' 12' ' ' VAL . . . . . 1.026 HG13 HG13 ' L' ' 12' ' ' VAL . 51.1 t -66.43 -47.24 84.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 CA-C-N 114.404 -1.271 . . . . 0.0 112.181 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' J' J ' 13' ' ' GLU . . . . . 0.592 ' HB3' ' OG ' ' L' ' 9' ' ' SER . 16.0 pt-20 -54.83 -40.03 69.15 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.587 0.232 . . . . 0.0 111.417 -178.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' J' J ' 14' ' ' ALA . . . . . . . . . . . . . . . -80.0 -30.96 39.73 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.922 0.392 . . . . 0.0 110.143 178.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 15' ' ' LEU . . . . . 0.561 HD13 HD12 ' I' ' 2' ' ' ILE . 0.9 OUTLIER -57.94 -60.19 4.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.296 179.673 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' J' J ' 16' ' ' TYR . . . . . 0.781 ' HB2' ' HG3' ' L' ' 28' ' ' PRO . 6.2 p90 -69.67 -18.61 63.58 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.836 -179.471 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' J' J ' 17' ' ' LEU . . . . . 0.613 ' HG ' ' NE2' ' L' ' 5' ' ' HIS . 4.6 tt -69.15 -39.31 78.9 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 178.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' J' J ' 18' ' ' VAL . . . . . 0.4 HG12 HD22 ' I' ' 13' ' ' LEU . 69.4 t -69.68 -43.11 80.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.603 178.097 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' J' J ' 19' ' ' CYS . . . . . 0.426 ' HB3' ' HB2' ' J' ' 22' ' ' ARG . 85.9 m -61.72 -34.56 76.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.026 179.172 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' J' J ' 20' ' ' GLY . . . . . . . . . . . . . . . 70.82 -101.32 0.92 Allowed Glycine 0 C--N 1.332 0.324 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.885 179.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 21' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -88.44 -2.49 58.63 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.222 0.534 . . . . 0.0 110.254 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 22' ' ' ARG . . . . . 0.426 ' HB2' ' HB3' ' J' ' 19' ' ' CYS . 66.5 mtt85 -99.73 157.15 16.69 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.15 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' J' J ' 23' ' ' GLY . . . . . 0.835 ' HA2' ' HD2' ' L' ' 28' ' ' PRO . . . -102.94 -159.34 25.47 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.557 -0.83 . . . . 0.0 111.889 179.504 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' J' J ' 24' ' ' PHE . . . . . 0.862 ' HZ ' HG12 ' J' ' 12' ' ' VAL . 5.9 p90 -172.2 -175.62 1.46 Allowed 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' J' J ' 25' ' ' PHE . . . . . . . . . . . . . 9.3 p90 -125.75 151.2 47.01 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 178.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 26' ' ' TYR . . . . . 0.421 ' OH ' ' HA3' ' J' ' 8' ' ' GLY . 72.1 t80 -146.12 119.06 8.72 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.669 -0.413 . . . . 0.0 111.375 -179.309 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' J' J ' 27' ' ' THR . . . . . 0.652 HG21 ' HA3' ' L' ' 23' ' ' GLY . 7.3 p -123.6 99.45 39.16 Favored Pre-proline 0 C--N 1.32 -0.695 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 178.715 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' J' J ' 28' ' ' PRO . . . . . 0.827 ' HD2' ' HA2' ' L' ' 23' ' ' GLY . 64.9 Cg_endo -74.11 54.56 3.23 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 123.179 2.586 . . . . 0.0 113.768 -178.327 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' J' J ' 29' ' ' LYS . . . . . . . . . . . . . 4.7 ttpm? -123.68 -110.23 0.32 Allowed 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 178.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 30' ' ' THR . . . . . . . . . . . . . 91.0 m . . . . . 0 C--O 1.254 1.315 0 CA-C-O 117.654 -1.165 . . . . 0.0 107.957 178.972 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.668 0 N-CA-C 111.767 -0.533 . . . . 0.0 111.767 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' K' K ' 2' ' ' ILE . . . . . 0.523 HD12 HD13 ' L' ' 15' ' ' LEU . 5.3 tt -152.72 -39.29 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.842 0.353 . . . . 0.0 110.987 179.64 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' K' K ' 3' ' ' VAL . . . . . 0.414 ' CG1' ' HG3' ' L' ' 4' ' ' GLN . 53.5 t -62.96 -71.81 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.356 -179.373 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' K' K ' 4' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -60.85 -35.05 75.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.704 0.288 . . . . 0.0 110.783 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' K' K ' 5' ' ' GLN . . . . . 0.598 ' HG2' ' SG ' ' K' ' 11' ' ' CYS . 35.2 tt0 -51.63 -42.78 62.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.143 179.452 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' K' K ' 6' ' ' CYS . . . . . 0.684 ' HB3' ' H2 ' ' K' ' 22' ' ' IPH . 73.6 m -99.4 -28.59 13.2 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -179.133 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' K' K ' 7' ' ' CYS . . . . . 0.733 ' HB2' HD13 ' L' ' 11' ' ' LEU . 49.8 t -82.06 45.38 0.92 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.537 0.684 . . . . 0.0 111.133 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' K' K ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -134.12 -62.65 0.75 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.605 178.314 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' K' K ' 9' ' ' SER . . . . . 0.446 ' O ' ' HB ' ' K' ' 10' ' ' ILE . 10.7 t -144.08 24.5 1.63 Allowed 'General case' 0 C--O 1.238 0.485 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 179.437 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' K' K ' 10' ' ' ILE . . . . . 0.56 HD13 ' HB ' ' H' ' 2' ' ' VAL . 2.0 mp 71.63 143.99 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.489 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' K' K ' 11' ' ' CYS . . . . . 0.598 ' SG ' ' HG2' ' K' ' 5' ' ' GLN . 75.5 m -98.41 167.2 10.98 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 120.901 0.382 . . . . 0.0 110.82 179.499 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' K' K ' 12' ' ' SER . . . . . . . . . . . . . 17.2 t -74.0 156.97 36.99 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 178.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' K' K ' 13' ' ' LEU . . . . . 0.409 HD22 HG12 ' L' ' 18' ' ' VAL . 10.0 tt -59.52 -56.69 18.83 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.682 -178.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -65.56 -16.01 63.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.563 0.22 . . . . 0.0 111.357 -179.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' K' K ' 15' ' ' GLN . . . . . 0.527 HE21 ' NE2' ' K' ' 5' ' ' GLN . 35.5 tt0 -78.18 -23.71 47.5 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-O 120.977 0.418 . . . . 0.0 110.25 179.466 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' K' K ' 16' ' ' LEU . . . . . . . . . . . . . 97.0 mt -80.28 -26.82 38.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.991 178.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' K' K ' 17' ' ' GLU . . . . . 0.681 ' HA ' ' SG ' ' K' ' 20' ' ' CYS . 0.7 OUTLIER -63.33 -18.67 63.88 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.007 179.264 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' K' K ' 18' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -64.08 -18.07 64.03 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.164 179.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' K' K ' 19' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -112.6 1.17 15.68 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -178.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' K' K ' 20' ' ' CYS . . . . . 0.681 ' SG ' ' HA ' ' K' ' 17' ' ' GLU . 81.6 m -73.13 140.07 46.84 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.949 0.404 . . . . 0.0 111.37 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' K' K ' 21' ' ' ASN . . . . . . . . . . . . . 2.8 m120 . . . . . 0 C--O 1.246 0.884 0 CA-C-O 118.517 -0.754 . . . . 0.0 110.226 179.659 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' L' L ' 1' ' ' PHE . . . . . . . . . . . . . 6.2 p90 . . . . . 0 N--CA 1.482 1.153 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' L' L ' 2' ' ' VAL . . . . . 0.576 HG22 ' HB2' ' L' ' 6' ' ' LEU . 16.4 m -118.21 175.41 3.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 C-N-CA 120.38 -0.528 . . . . 0.0 110.889 179.627 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' L' L ' 3' ' ' ASN . . . . . 0.446 ' H ' ' CD1' ' C' ' 10' ' ' ILE . 60.8 t30 -106.56 -179.72 4.02 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.094 -178.514 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' L' L ' 4' ' ' GLN . . . . . 0.64 ' HA ' ' HB3' ' L' ' 7' ' ' CYS . 0.2 OUTLIER -49.63 -29.32 7.03 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 123.717 0.807 . . . . 0.0 111.827 179.344 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' L' L ' 5' ' ' HIS . . . . . 0.613 ' NE2' ' HG ' ' J' ' 17' ' ' LEU . 47.0 t60 -57.81 -20.62 37.11 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.793 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' L' L ' 6' ' ' LEU . . . . . 0.576 ' HB2' HG22 ' L' ' 2' ' ' VAL . 30.4 mt -120.23 -21.67 6.87 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.28 0.562 . . . . 0.0 110.203 178.775 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' L' L ' 7' ' ' CYS . . . . . 0.64 ' HB3' ' HA ' ' L' ' 4' ' ' GLN . 28.2 t -73.26 -36.3 66.35 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.103 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' L' L ' 8' ' ' GLY . . . . . 0.406 ' HA3' ' OH ' ' L' ' 26' ' ' TYR . . . -52.31 -50.34 47.28 Favored Glycine 0 C--O 1.227 -0.292 0 CA-C-N 116.018 -0.537 . . . . 0.0 114.424 -179.116 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' L' L ' 9' ' ' SER . . . . . 0.592 ' OG ' ' HB3' ' J' ' 13' ' ' GLU . 31.6 t -49.85 -44.56 49.72 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.175 0.512 . . . . 0.0 112.309 -179.113 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' L' L ' 10' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -70.73 -17.14 62.81 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.293 -178.243 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' L' L ' 11' ' ' LEU . . . . . 0.733 HD13 ' HB2' ' K' ' 7' ' ' CYS . 12.4 mt -87.91 -35.16 17.86 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 107.156 -1.424 . . . . 0.0 107.156 176.258 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' L' L ' 12' ' ' VAL . . . . . 1.026 HG13 HG13 ' J' ' 12' ' ' VAL . 52.2 t -66.03 -47.44 85.05 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-N 114.49 -1.232 . . . . 0.0 112.19 -179.705 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' L' L ' 13' ' ' GLU . . . . . 0.562 ' HB3' ' OG ' ' J' ' 9' ' ' SER . 14.3 pt-20 -54.42 -40.9 68.73 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.621 0.248 . . . . 0.0 111.369 -178.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' L' L ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.07 -31.04 44.27 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.854 0.359 . . . . 0.0 110.213 178.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' L' L ' 15' ' ' LEU . . . . . 0.523 HD13 HD12 ' K' ' 2' ' ' ILE . 0.9 OUTLIER -58.07 -60.16 4.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.241 179.534 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' L' L ' 16' ' ' TYR . . . . . 0.761 ' HB2' ' HG3' ' J' ' 28' ' ' PRO . 6.1 p90 -69.92 -18.23 63.37 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.416 -0.514 . . . . 0.0 110.888 -179.308 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' L' L ' 17' ' ' LEU . . . . . 0.615 ' HG ' ' NE2' ' J' ' 5' ' ' HIS . 4.8 tt -69.43 -38.54 77.89 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 178.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' L' L ' 18' ' ' VAL . . . . . 0.409 HG12 HD22 ' K' ' 13' ' ' LEU . 72.2 t -70.69 -43.26 77.56 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 CA-C-N 115.734 -0.667 . . . . 0.0 109.395 178.192 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' L' L ' 19' ' ' CYS . . . . . . . . . . . . . 84.1 m -61.98 -31.53 71.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.314 179.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' L' L ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.86 -101.67 0.75 Allowed Glycine 0 N--CA 1.451 -0.36 0 CA-C-N 115.987 -0.551 . . . . 0.0 113.27 179.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' L' L ' 21' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -87.07 -5.08 59.17 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.172 0.511 . . . . 0.0 110.324 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' L' L ' 22' ' ' ARG . . . . . . . . . . . . . 67.3 mtt85 -97.7 158.17 15.65 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.449 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' L' L ' 23' ' ' GLY . . . . . 0.827 ' HA2' ' HD2' ' J' ' 28' ' ' PRO . . . -103.92 -159.86 24.57 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.833 -0.699 . . . . 0.0 111.931 179.631 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' L' L ' 24' ' ' PHE . . . . . 0.861 ' HZ ' HG12 ' L' ' 12' ' ' VAL . 6.0 p90 -171.74 -175.55 1.57 Allowed 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' L' L ' 25' ' ' PHE . . . . . . . . . . . . . 9.4 p90 -125.75 150.51 47.68 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 178.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' L' L ' 26' ' ' TYR . . . . . 0.406 ' OH ' ' HA3' ' L' ' 8' ' ' GLY . 72.2 t80 -145.21 119.69 9.68 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.7 -0.4 . . . . 0.0 111.248 -179.336 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' L' L ' 27' ' ' THR . . . . . 0.676 HG21 ' HA3' ' J' ' 23' ' ' GLY . 6.6 p -124.11 99.28 37.74 Favored Pre-proline 0 C--N 1.321 -0.674 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.847 178.781 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' L' L ' 28' ' ' PRO . . . . . 0.835 ' HD2' ' HA2' ' J' ' 23' ' ' GLY . 65.2 Cg_endo -74.42 55.63 3.68 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 123.215 2.61 . . . . 0.0 113.794 -178.525 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' L' L ' 29' ' ' LYS . . . . . . . . . . . . . 4.7 ttpm? -124.61 -108.27 0.33 Allowed 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 178.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' L' L ' 30' ' ' THR . . . . . . . . . . . . . 82.9 m . . . . . 0 C--O 1.25 1.111 0 CA-C-O 117.46 -1.257 . . . . 0.0 107.675 179.036 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' IPH . . . . . 0.691 ' H2 ' ' HB3' ' A' ' 6' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 22' ' ' IPH . . . . . 0.679 ' H2 ' ' HB3' ' C' ' 6' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 22' ' ' IPH . . . . . 0.665 ' H2 ' ' HB3' ' E' ' 6' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 22' ' ' IPH . . . . . 0.686 ' H2 ' ' HB3' ' G' ' 6' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 22' ' ' IPH . . . . . 0.684 ' H2 ' ' HB3' ' I' ' 6' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' K' K ' 22' ' ' IPH . . . . . 0.684 ' H2 ' ' HB3' ' K' ' 6' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.352 0 N-CA-C 112.191 -0.364 . . . . 0.0 112.191 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.7 tt -164.6 -38.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 120.999 0.428 . . . . 0.0 110.615 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.597 HG12 ' HG3' ' B' ' 4' ' ' GLN . 97.7 t -65.7 -48.22 83.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.404 0.621 . . . . 0.0 110.609 179.563 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.434 ' CD ' ' H ' ' A' ' 4' ' ' GLU . 0.4 OUTLIER -68.22 -18.77 64.66 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.453 -179.713 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.493 ' HG2' ' SG ' ' A' ' 11' ' ' CYS . 36.4 tt0 -98.69 -39.98 8.4 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 -177.574 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 84.2 m -104.21 -35.53 7.98 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 114.226 1.195 . . . . 0.0 114.226 -177.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.482 ' HB2' HD12 ' B' ' 11' ' ' LEU . 52.1 t -73.3 -13.15 61.07 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 121.827 -0.546 . . . . 0.0 111.094 -178.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.15 -61.08 1.92 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.123 179.472 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.444 ' O ' ' HB ' ' A' ' 10' ' ' ILE . 70.7 m -151.1 31.57 0.61 Allowed 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.487 HG12 ' HB3' ' F' ' 5' ' ' HIS . 1.7 mp 72.63 145.23 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 178.709 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.493 ' SG ' ' HG2' ' A' ' 5' ' ' GLN . 95.8 m -104.85 171.97 7.04 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.596 179.3 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.7 m -81.06 168.01 19.12 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.698 0.285 . . . . 0.0 110.447 178.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.513 ' HG ' HG12 ' B' ' 18' ' ' VAL . 10.1 tt -57.39 -54.08 50.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.941 -178.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -69.49 -17.62 63.62 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -178.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -70.7 -36.91 73.51 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 178.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.437 ' HB3' HD22 ' B' ' 15' ' ' LEU . 89.8 mt -71.98 -31.45 66.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.545 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -62.36 -22.03 65.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.295 -179.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -70.54 -10.33 58.96 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.535 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -104.41 3.6 32.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.655 0.264 . . . . 0.0 110.852 -179.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 68.4 m -67.99 161.06 27.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.248 0.547 . . . . 0.0 112.1 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.9 m120 . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.096 -0.954 . . . . 0.0 109.771 179.2 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . 0.651 ' O ' HG21 ' B' ' 2' ' ' VAL . 54.9 t80 . . . . . 0 N--CA 1.483 1.193 0 N-CA-C 111.207 0.077 . . . . 0.0 111.207 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . 0.651 HG21 ' O ' ' B' ' 1' ' ' PHE . 28.2 m 46.54 -147.28 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 124.072 0.949 . . . . 0.0 112.613 -179.298 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -159.85 -172.46 3.66 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -178.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . 0.794 ' HA ' ' HB3' ' B' ' 7' ' ' CYS . 0.1 OUTLIER -56.55 -25.38 51.93 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 122.671 0.389 . . . . 0.0 110.199 179.285 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . 0.507 ' NE2' ' HG ' ' D' ' 17' ' ' LEU . 35.0 t60 -58.63 -18.31 29.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.263 179.372 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.612 HD23 ' H4 ' ' I' ' 22' ' ' IPH . 35.8 mt -127.13 -8.0 5.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.278 0.561 . . . . 0.0 110.288 178.482 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . 0.794 ' HB3' ' HA ' ' B' ' 4' ' ' GLN . 5.4 t -89.76 -43.97 10.31 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.854 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . 0.649 ' HA2' HD13 ' B' ' 11' ' ' LEU . . . -62.67 -27.7 70.3 Favored Glycine 0 N--CA 1.45 -0.389 0 CA-C-N 116.149 -0.478 . . . . 0.0 113.302 -179.472 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' SER . . . . . 0.89 ' HB2' ' HG2' ' D' ' 13' ' ' GLU . 38.8 p -62.03 -24.7 67.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.935 0.398 . . . . 0.0 111.313 -179.353 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . 0.466 ' HA ' ' HG3' ' B' ' 13' ' ' GLU . 98.4 m-70 -99.23 -17.51 18.08 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.879 0.371 . . . . 0.0 111.193 -179.122 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.852 HD21 ' H5 ' ' A' ' 22' ' ' IPH . 52.9 mt -71.09 -40.32 71.61 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 177.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.537 ' HA ' ' HB2' ' B' ' 15' ' ' LEU . 3.1 m -68.59 -27.26 35.62 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-N 115.039 -0.982 . . . . 0.0 111.904 179.578 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.895 ' HG2' ' HB2' ' D' ' 9' ' ' SER . 39.8 mt-10 -59.98 -46.88 88.01 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-O 121.458 0.647 . . . . 0.0 109.774 179.425 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.35 -26.59 52.15 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.375 179.071 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.537 ' HB2' ' HA ' ' B' ' 12' ' ' VAL . 12.8 mt -55.28 -57.43 11.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.977 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . 1.043 ' HB3' ' HE2' ' B' ' 24' ' ' PHE . 18.5 p90 -74.34 -27.21 60.58 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 119.89 -0.724 . . . . 0.0 111.393 -179.091 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.631 HD13 ' H3 ' ' G' ' 22' ' ' IPH . 7.2 tt -67.1 -51.4 54.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.169 179.745 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.513 HG12 ' HG ' ' A' ' 13' ' ' LEU . 77.7 t -70.7 -35.95 62.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.141 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 37.9 t -66.25 -23.21 66.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.82 0.343 . . . . 0.0 111.24 -179.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.53 25.8 27.0 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.346 -0.931 . . . . 0.0 111.957 179.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 64.43 24.39 13.16 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.983 0.734 . . . . 0.0 112.983 179.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 65.0 mtt180 -70.45 -39.2 74.46 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.825 0.822 . . . . 0.0 108.896 178.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . 0.469 ' HA3' HG23 ' D' ' 27' ' ' THR . . . 127.7 162.29 11.05 Favored Glycine 0 N--CA 1.441 -1.003 0 CA-C-N 114.393 -1.276 . . . . 0.0 110.319 -178.636 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . 1.043 ' HE2' ' HB3' ' B' ' 16' ' ' TYR . 37.5 p90 -165.02 173.77 11.18 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 117.298 0.549 . . . . 0.0 110.512 -179.646 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 5.2 p90 -126.36 139.54 53.2 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.373 178.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -131.18 104.37 7.03 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' THR . . . . . 0.472 HG23 ' HA3' ' D' ' 23' ' ' GLY . 7.5 p -122.82 95.45 46.37 Favored Pre-proline 0 C--N 1.318 -0.762 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.808 -179.179 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -80.81 40.05 0.94 Allowed 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.946 2.431 . . . . 0.0 111.3 179.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -128.13 90.74 3.14 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.816 -1.084 . . . . 0.0 109.504 -179.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 13.1 t . . . . . 0 C--O 1.246 0.883 0 CA-C-O 118.84 -0.6 . . . . 0.0 109.568 -179.054 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.462 0 N-CA-C 112.092 -0.403 . . . . 0.0 112.092 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 9.4 tt -167.41 -37.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-O 120.763 0.316 . . . . 0.0 110.762 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 3' ' ' VAL . . . . . 0.626 HG12 ' HG3' ' D' ' 4' ' ' GLN . 90.6 t -66.97 -46.88 83.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.382 0.61 . . . . 0.0 110.936 179.369 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 4' ' ' GLU . . . . . 0.455 ' CD ' ' H ' ' C' ' 4' ' ' GLU . 0.4 OUTLIER -68.94 -20.88 64.21 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.001 -179.782 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 5' ' ' GLN . . . . . 0.473 ' HG2' ' SG ' ' C' ' 11' ' ' CYS . 36.0 tt0 -96.71 -40.18 9.1 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -177.459 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 84.4 m -103.89 -35.49 8.14 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 114.28 1.215 . . . . 0.0 114.28 -176.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 7' ' ' CYS . . . . . 0.48 ' HB2' HD12 ' D' ' 11' ' ' LEU . 52.6 t -73.23 -13.46 61.15 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.471 -0.492 . . . . 0.0 111.103 -179.045 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.97 -59.87 2.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.257 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 9' ' ' SER . . . . . 0.457 ' O ' ' HB ' ' C' ' 10' ' ' ILE . 73.7 m -152.29 31.21 0.54 Allowed 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 111.735 0.272 . . . . 0.0 111.735 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . 0.481 HG12 ' HB3' ' L' ' 5' ' ' HIS . 1.7 mp 72.96 145.15 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 178.601 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 11' ' ' CYS . . . . . 0.473 ' SG ' ' HG2' ' C' ' 5' ' ' GLN . 99.1 m -104.51 172.47 6.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.426 -0.807 . . . . 0.0 110.296 179.33 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 34.0 m -81.5 169.07 17.57 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.365 178.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 13' ' ' LEU . . . . . 0.509 ' HG ' HG12 ' D' ' 18' ' ' VAL . 10.2 tt -58.53 -53.81 54.17 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 123.001 0.521 . . . . 0.0 111.849 -179.104 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -69.79 -16.55 63.31 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -179.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -71.97 -37.09 69.98 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.852 0.358 . . . . 0.0 110.124 178.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 16' ' ' LEU . . . . . 0.461 ' HB3' HD22 ' D' ' 15' ' ' LEU . 87.5 mt -71.92 -30.41 65.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.796 179.627 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -63.14 -21.1 65.97 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.273 -179.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -71.57 -9.05 57.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.323 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -105.96 4.37 29.41 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.78 0.324 . . . . 0.0 110.777 -179.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 67.1 m -68.99 159.97 31.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.391 0.615 . . . . 0.0 111.788 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 2.7 m120 . . . . . 0 C--O 1.252 1.206 0 CA-C-O 118.416 -0.802 . . . . 0.0 110.015 179.232 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 1' ' ' PHE . . . . . 0.64 ' O ' HG21 ' D' ' 2' ' ' VAL . 57.9 t80 . . . . . 0 N--CA 1.483 1.196 0 N-CA-C 111.264 0.098 . . . . 0.0 111.264 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 2' ' ' VAL . . . . . 0.64 HG21 ' O ' ' D' ' 1' ' ' PHE . 28.6 m 45.69 -146.54 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 124.059 0.944 . . . . 0.0 112.544 -179.055 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 3' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -160.45 -173.27 3.91 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 -178.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 4' ' ' GLN . . . . . 0.791 ' HA ' ' HB3' ' D' ' 7' ' ' CYS . 0.0 OUTLIER -56.4 -24.72 46.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.842 0.353 . . . . 0.0 110.204 179.572 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' D' D ' 5' ' ' HIS . . . . . 0.511 ' NE2' ' HG ' ' B' ' 17' ' ' LEU . 34.9 t60 -58.78 -18.49 32.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.85 -0.613 . . . . 0.0 111.301 179.376 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 6' ' ' LEU . . . . . 0.591 HD23 ' H4 ' ' G' ' 22' ' ' IPH . 35.3 mt -126.66 -9.26 6.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.262 0.554 . . . . 0.0 110.333 178.492 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 7' ' ' CYS . . . . . 0.791 ' HB3' ' HA ' ' D' ' 4' ' ' GLN . 5.9 t -88.3 -43.67 11.38 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.149 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 8' ' ' GLY . . . . . 0.646 ' HA2' HD13 ' D' ' 11' ' ' LEU . . . -62.42 -28.63 71.42 Favored Glycine 0 N--CA 1.45 -0.413 0 CA-C-N 116.059 -0.519 . . . . 0.0 113.379 -179.397 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 9' ' ' SER . . . . . 0.895 ' HB2' ' HG2' ' B' ' 13' ' ' GLU . 38.3 p -61.56 -24.83 66.91 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.947 0.403 . . . . 0.0 111.488 -179.283 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 10' ' ' HIS . . . . . 0.465 ' HA ' ' HG3' ' D' ' 13' ' ' GLU . 98.4 m-70 -99.04 -17.14 18.41 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.04 -179.229 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 11' ' ' LEU . . . . . 0.85 HD21 ' H5 ' ' C' ' 22' ' ' IPH . 52.5 mt -71.61 -40.34 69.9 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 177.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . 0.541 ' HA ' ' HB2' ' D' ' 15' ' ' LEU . 3.2 m -68.87 -27.12 34.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.097 -0.956 . . . . 0.0 111.802 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 13' ' ' GLU . . . . . 0.89 ' HG2' ' HB2' ' B' ' 9' ' ' SER . 41.1 mt-10 -59.84 -46.69 88.48 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.327 0.584 . . . . 0.0 109.771 179.379 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.39 -26.54 51.91 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.464 179.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 15' ' ' LEU . . . . . 0.541 ' HB2' ' HA ' ' D' ' 12' ' ' VAL . 12.9 mt -55.66 -57.29 12.6 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.899 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 16' ' ' TYR . . . . . 1.066 ' HB3' ' HE2' ' D' ' 24' ' ' PHE . 18.7 p90 -74.18 -27.57 60.88 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 119.665 -0.814 . . . . 0.0 111.262 -179.058 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . 0.651 HD13 ' H3 ' ' I' ' 22' ' ' IPH . 7.0 tt -67.03 -50.94 60.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.91 0.386 . . . . 0.0 110.34 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . 0.509 HG12 ' HG ' ' C' ' 13' ' ' LEU . 76.7 t -70.83 -37.15 67.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.123 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 19' ' ' CYS . . . . . . . . . . . . . 37.7 t -64.71 -24.62 67.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.32 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.33 27.45 20.43 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.37 -0.919 . . . . 0.0 111.911 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 63.07 23.3 13.89 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 179.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 22' ' ' ARG . . . . . . . . . . . . . 66.2 mtt180 -69.49 -41.42 76.16 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 121.995 0.902 . . . . 0.0 108.661 178.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 23' ' ' GLY . . . . . 0.472 ' HA3' HG23 ' B' ' 27' ' ' THR . . . 129.72 162.77 10.94 Favored Glycine 0 N--CA 1.44 -1.068 0 CA-C-N 114.325 -1.307 . . . . 0.0 110.201 -178.767 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 24' ' ' PHE . . . . . 1.066 ' HE2' ' HB3' ' D' ' 16' ' ' TYR . 37.8 p90 -164.91 174.49 10.5 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 117.134 0.467 . . . . 0.0 110.603 -179.733 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 25' ' ' PHE . . . . . . . . . . . . . 5.0 p90 -126.88 139.44 53.07 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.367 178.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 26' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -131.29 103.52 6.51 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.174 0.511 . . . . 0.0 109.74 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 27' ' ' THR . . . . . 0.469 HG23 ' HA3' ' B' ' 23' ' ' GLY . 8.4 p -121.8 95.39 47.83 Favored Pre-proline 0 C--N 1.318 -0.798 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.894 -179.334 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 28' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -81.36 43.37 1.52 Allowed 'Trans proline' 0 N--CA 1.463 -0.286 0 C-N-CA 122.727 2.285 . . . . 0.0 110.954 179.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -131.36 90.23 2.83 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.68 -1.146 . . . . 0.0 109.31 -178.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 14.5 t . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.756 -0.64 . . . . 0.0 109.979 -178.807 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.667 0 N-CA-C 112.215 -0.354 . . . . 0.0 112.215 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' E' E ' 2' ' ' ILE . . . . . . . . . . . . . 9.4 tt -167.45 -36.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 120.743 0.306 . . . . 0.0 110.787 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 3' ' ' VAL . . . . . 0.613 HG12 ' HG3' ' F' ' 4' ' ' GLN . 97.4 t -67.77 -47.13 80.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.253 0.549 . . . . 0.0 110.309 179.414 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 4' ' ' GLU . . . . . 0.452 ' CD ' ' H ' ' E' ' 4' ' ' GLU . 0.4 OUTLIER -68.69 -20.23 64.41 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.38 -179.778 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' E' E ' 5' ' ' GLN . . . . . 0.522 ' HG2' ' SG ' ' E' ' 11' ' ' CYS . 37.4 tt0 -97.74 -39.89 8.83 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 -177.486 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 6' ' ' CYS . . . . . . . . . . . . . 85.9 m -103.92 -35.94 7.96 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 -176.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 7' ' ' CYS . . . . . 0.482 ' HB2' HD12 ' F' ' 11' ' ' LEU . 52.8 t -73.39 -12.47 60.83 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.546 -0.462 . . . . 0.0 111.048 -178.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.51 -59.22 2.83 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.26 179.556 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 9' ' ' SER . . . . . 0.46 ' O ' ' HB ' ' E' ' 10' ' ' ILE . 66.7 m -153.27 31.52 0.48 Allowed 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 111.844 0.313 . . . . 0.0 111.844 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 10' ' ' ILE . . . . . 0.489 HG12 ' HB3' ' J' ' 5' ' ' HIS . 1.7 mp 72.66 144.94 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 CA-C-O 121.456 0.646 . . . . 0.0 112.729 178.677 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 11' ' ' CYS . . . . . 0.522 ' SG ' ' HG2' ' E' ' 5' ' ' GLN . 98.3 m -104.1 173.01 6.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.254 -0.884 . . . . 0.0 110.194 179.422 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 12' ' ' SER . . . . . . . . . . . . . 45.7 m -83.01 168.44 16.97 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.685 0.278 . . . . 0.0 110.476 178.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 13' ' ' LEU . . . . . 0.507 ' HG ' HG12 ' F' ' 18' ' ' VAL . 10.1 tt -57.24 -54.18 49.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.862 -178.697 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -69.58 -17.23 63.53 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -179.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -70.55 -37.59 74.06 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 178.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 16' ' ' LEU . . . . . 0.449 ' HB3' HD22 ' F' ' 15' ' ' LEU . 86.1 mt -71.77 -30.54 65.67 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.892 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 17' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -63.29 -20.19 65.25 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.477 -179.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 18' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -71.97 -11.88 60.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.886 0.375 . . . . 0.0 111.116 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 19' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -103.29 5.09 37.23 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.83 0.348 . . . . 0.0 111.289 -179.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 20' ' ' CYS . . . . . . . . . . . . . 67.0 m -69.33 160.02 32.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.3 0.572 . . . . 0.0 111.85 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 21' ' ' ASN . . . . . . . . . . . . . 2.7 m120 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.321 -0.847 . . . . 0.0 110.563 179.594 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' F' F ' 1' ' ' PHE . . . . . 0.645 ' O ' HG21 ' F' ' 2' ' ' VAL . 55.6 t80 . . . . . 0 N--CA 1.484 1.254 0 N-CA-C 111.3 0.111 . . . . 0.0 111.3 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 2' ' ' VAL . . . . . 0.645 HG21 ' O ' ' F' ' 1' ' ' PHE . 27.5 m 46.53 -147.36 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 124.194 0.997 . . . . 0.0 112.418 -179.247 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' F' F ' 3' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -159.47 -171.95 3.52 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 -178.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 4' ' ' GLN . . . . . 0.806 ' HA ' ' HB3' ' F' ' 7' ' ' CYS . 0.0 OUTLIER -57.42 -24.06 53.27 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 122.635 0.374 . . . . 0.0 110.162 179.477 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' F' F ' 5' ' ' HIS . . . . . 0.498 ' NE2' ' HG ' ' H' ' 17' ' ' LEU . 35.8 t60 -59.42 -18.05 35.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.337 179.375 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' F' F ' 6' ' ' LEU . . . . . 0.602 HD23 ' H4 ' ' A' ' 22' ' ' IPH . 32.4 mt -127.26 -8.98 5.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.237 0.541 . . . . 0.0 110.132 178.629 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' F' F ' 7' ' ' CYS . . . . . 0.806 ' HB3' ' HA ' ' F' ' 4' ' ' GLN . 6.4 t -88.63 -43.68 11.17 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.053 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' F' F ' 8' ' ' GLY . . . . . 0.61 ' HA2' HD13 ' F' ' 11' ' ' LEU . . . -62.74 -28.27 71.34 Favored Glycine 0 N--CA 1.451 -0.313 0 CA-C-N 116.038 -0.528 . . . . 0.0 113.323 -179.423 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' F' F ' 9' ' ' SER . . . . . 0.873 ' HB2' ' HG2' ' H' ' 13' ' ' GLU . 28.8 p -61.77 -24.75 67.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.903 0.382 . . . . 0.0 111.415 -179.284 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' F' F ' 10' ' ' HIS . . . . . 0.474 ' HA ' ' HG3' ' F' ' 13' ' ' GLU . 98.4 m-70 -99.09 -17.2 18.34 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.854 0.359 . . . . 0.0 111.174 -179.192 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' F' F ' 11' ' ' LEU . . . . . 0.884 HD21 ' H5 ' ' E' ' 22' ' ' IPH . 53.7 mt -71.47 -40.51 70.23 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 177.778 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' F' F ' 12' ' ' VAL . . . . . 0.553 ' HA ' ' HB2' ' F' ' 15' ' ' LEU . 2.9 m -68.37 -27.66 37.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 CA-C-N 114.975 -1.011 . . . . 0.0 111.767 179.495 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' F' F ' 13' ' ' GLU . . . . . 0.873 ' HG2' ' HB2' ' H' ' 9' ' ' SER . 39.8 mt-10 -59.32 -46.97 87.13 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.376 0.608 . . . . 0.0 109.849 179.274 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' F' F ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.47 -26.65 51.59 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.45 179.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 15' ' ' LEU . . . . . 0.553 ' HB2' ' HA ' ' F' ' 12' ' ' VAL . 12.7 mt -55.53 -57.2 12.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.974 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' F' F ' 16' ' ' TYR . . . . . 1.086 ' HB3' ' HE2' ' F' ' 24' ' ' PHE . 19.0 p90 -74.37 -27.58 60.72 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 119.7 -0.8 . . . . 0.0 111.254 -179.087 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' F' F ' 17' ' ' LEU . . . . . 0.633 HD13 ' H3 ' ' K' ' 22' ' ' IPH . 7.2 tt -67.0 -50.41 62.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.332 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . 0.507 HG12 ' HG ' ' E' ' 13' ' ' LEU . 79.7 t -71.36 -37.42 65.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.977 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' F' F ' 19' ' ' CYS . . . . . . . . . . . . . 35.8 t -64.32 -25.23 67.95 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.291 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.4 25.98 22.11 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.092 -1.051 . . . . 0.0 111.72 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 64.05 24.11 13.44 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 179.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 22' ' ' ARG . . . . . . . . . . . . . 64.3 mtt180 -69.76 -40.6 76.0 Favored 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 178.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 23' ' ' GLY . . . . . 0.467 ' HA3' HG23 ' H' ' 27' ' ' THR . . . 128.86 162.81 11.08 Favored Glycine 0 N--CA 1.44 -1.073 0 CA-C-N 114.151 -1.386 . . . . 0.0 110.332 -178.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' F' F ' 24' ' ' PHE . . . . . 1.086 ' HE2' ' HB3' ' F' ' 16' ' ' TYR . 37.9 p90 -164.84 174.48 10.56 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 117.28 0.54 . . . . 0.0 110.518 -179.768 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' F' F ' 25' ' ' PHE . . . . . . . . . . . . . 5.2 p90 -127.06 139.59 52.89 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 178.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 26' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -131.46 103.82 6.64 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.183 0.516 . . . . 0.0 109.76 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 27' ' ' THR . . . . . 0.478 HG23 ' HA3' ' H' ' 23' ' ' GLY . 11.4 p -121.98 96.0 47.12 Favored Pre-proline 0 C--N 1.319 -0.743 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.808 -179.476 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' F' F ' 28' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -80.59 39.44 0.85 Allowed 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.692 2.261 . . . . 0.0 111.162 179.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 29' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -127.69 91.85 3.37 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.072 -0.967 . . . . 0.0 109.361 -179.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 30' ' ' THR . . . . . . . . . . . . . 14.7 t . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.764 -0.636 . . . . 0.0 109.564 -179.153 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' G' G ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.893 0 N-CA-C 112.72 -0.152 . . . . 0.0 112.72 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' G' G ' 2' ' ' ILE . . . . . 0.402 HG21 ' N ' ' G' ' 3' ' ' VAL . 9.8 tt -165.76 -37.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 120.887 0.375 . . . . 0.0 110.542 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' G' G ' 3' ' ' VAL . . . . . 0.584 HG12 ' HG3' ' H' ' 4' ' ' GLN . 93.4 t -66.19 -47.92 83.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.316 0.579 . . . . 0.0 110.498 179.259 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' G' G ' 4' ' ' GLU . . . . . 0.459 ' CD ' ' H ' ' G' ' 4' ' ' GLU . 0.3 OUTLIER -68.62 -18.01 64.22 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.32 -0.855 . . . . 0.0 111.593 -179.698 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' G' G ' 5' ' ' GLN . . . . . 0.501 ' HG2' ' SG ' ' G' ' 11' ' ' CYS . 36.4 tt0 -99.38 -40.67 7.77 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 -177.48 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' G' G ' 6' ' ' CYS . . . . . . . . . . . . . 85.8 m -103.29 -36.19 8.15 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 114.274 1.213 . . . . 0.0 114.274 -176.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 7' ' ' CYS . . . . . 0.504 ' HB2' HD12 ' H' ' 11' ' ' LEU . 52.8 t -73.36 -12.37 60.8 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 118.279 0.491 . . . . 0.0 111.306 -178.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' G' G ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.77 -60.54 2.18 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.002 179.503 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' G' G ' 9' ' ' SER . . . . . 0.427 ' O ' ' HB ' ' G' ' 10' ' ' ILE . 71.3 m -151.81 33.06 0.55 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.665 0.246 . . . . 0.0 111.665 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' G' G ' 10' ' ' ILE . . . . . 0.492 HG12 ' HB3' ' D' ' 5' ' ' HIS . 1.8 mp 71.4 145.79 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 N-CA-C 112.855 0.687 . . . . 0.0 112.855 178.617 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' G' G ' 11' ' ' CYS . . . . . 0.501 ' SG ' ' HG2' ' G' ' 5' ' ' GLN . 98.8 m -105.13 172.36 6.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.35 179.261 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' G' G ' 12' ' ' SER . . . . . . . . . . . . . 48.4 m -81.88 168.54 17.83 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.731 0.301 . . . . 0.0 110.507 178.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 13' ' ' LEU . . . . . 0.513 ' HG ' HG12 ' H' ' 18' ' ' VAL . 10.2 tt -57.55 -54.25 48.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.925 -178.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -69.34 -17.54 63.72 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -179.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -70.58 -37.54 73.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.792 0.329 . . . . 0.0 110.135 178.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 16' ' ' LEU . . . . . 0.426 ' HB3' HD22 ' H' ' 15' ' ' LEU . 90.3 mt -71.56 -31.13 66.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.727 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' G' G ' 17' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -62.62 -20.61 64.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.603 -179.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 18' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -71.28 -11.99 61.21 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.907 0.384 . . . . 0.0 111.15 179.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 19' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -102.95 4.65 37.71 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.795 0.331 . . . . 0.0 111.044 -179.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 20' ' ' CYS . . . . . . . . . . . . . 67.6 m -69.4 158.39 35.2 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.369 0.604 . . . . 0.0 112.057 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 21' ' ' ASN . . . . . . . . . . . . . 2.8 m120 . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.379 -0.82 . . . . 0.0 109.887 179.029 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' H' H ' 1' ' ' PHE . . . . . 0.645 ' O ' HG21 ' H' ' 2' ' ' VAL . 54.9 t80 . . . . . 0 N--CA 1.483 1.213 0 CA-C-O 120.437 0.16 . . . . 0.0 111.303 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 2' ' ' VAL . . . . . 0.645 HG21 ' O ' ' H' ' 1' ' ' PHE . 27.7 m 45.94 -147.49 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 C-N-CA 124.125 0.97 . . . . 0.0 112.437 -179.252 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' H' H ' 3' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -159.17 -171.92 3.56 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 122.094 -0.379 . . . . 0.0 110.024 -178.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 4' ' ' GLN . . . . . 0.812 ' HA ' ' HB3' ' H' ' 7' ' ' CYS . 0.0 OUTLIER -56.49 -25.99 52.99 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 123.413 0.446 . . . . 0.0 110.204 179.369 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' H' H ' 5' ' ' HIS . . . . . 0.51 ' NE2' ' HG ' ' F' ' 17' ' ' LEU . 34.5 t60 -57.68 -18.81 22.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.493 179.453 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' H' H ' 6' ' ' LEU . . . . . 0.587 HD23 ' H4 ' ' K' ' 22' ' ' IPH . 35.3 mt -126.58 -9.38 6.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.41 0.624 . . . . 0.0 110.358 178.42 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' H' H ' 7' ' ' CYS . . . . . 0.812 ' HB3' ' HA ' ' H' ' 4' ' ' GLN . 6.0 t -88.15 -43.76 11.41 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.061 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' H' H ' 8' ' ' GLY . . . . . 0.649 ' HA2' HD13 ' H' ' 11' ' ' LEU . . . -62.62 -28.16 70.99 Favored Glycine 0 N--CA 1.45 -0.367 0 CA-C-N 116.08 -0.509 . . . . 0.0 113.422 -179.271 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' H' H ' 9' ' ' SER . . . . . 0.873 ' HB2' ' HG2' ' F' ' 13' ' ' GLU . 36.9 p -61.98 -24.56 67.1 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.946 0.403 . . . . 0.0 111.42 -179.269 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' H' H ' 10' ' ' HIS . . . . . 0.45 ' HA ' ' HG3' ' H' ' 13' ' ' GLU . 98.3 m-70 -98.92 -17.4 18.38 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.868 0.366 . . . . 0.0 111.11 -179.37 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' H' H ' 11' ' ' LEU . . . . . 0.859 HD21 ' H5 ' ' G' ' 22' ' ' IPH . 48.9 mt -71.28 -40.51 70.85 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 177.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' H' H ' 12' ' ' VAL . . . . . 0.544 ' HA ' ' HB2' ' H' ' 15' ' ' LEU . 3.0 m -68.52 -27.45 36.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.074 -0.966 . . . . 0.0 111.898 179.636 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' H' H ' 13' ' ' GLU . . . . . 0.873 ' HG2' ' HB2' ' F' ' 9' ' ' SER . 40.4 mt-10 -59.57 -46.58 88.51 Favored 'General case' 0 CA--C 1.521 -0.138 0 CA-C-O 121.364 0.602 . . . . 0.0 109.844 179.277 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' H' H ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.79 -26.54 49.75 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.517 179.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 15' ' ' LEU . . . . . 0.544 ' HB2' ' HA ' ' H' ' 12' ' ' VAL . 12.9 mt -55.48 -57.62 11.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.246 -0.433 . . . . 0.0 112.042 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' H' H ' 16' ' ' TYR . . . . . 1.037 ' HB3' ' HE2' ' H' ' 24' ' ' PHE . 18.3 p90 -74.14 -27.48 60.87 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 119.781 -0.767 . . . . 0.0 111.25 -179.071 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' H' H ' 17' ' ' LEU . . . . . 0.63 HD13 ' H3 ' ' A' ' 22' ' ' IPH . 7.1 tt -66.85 -51.38 56.15 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.194 179.775 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . 0.513 HG12 ' HG ' ' G' ' 13' ' ' LEU . 79.7 t -70.49 -37.25 69.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.175 179.703 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' H' H ' 19' ' ' CYS . . . . . . . . . . . . . 36.5 t -64.61 -24.11 67.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.388 -179.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.88 26.96 23.0 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.325 -0.94 . . . . 0.0 111.881 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 21' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 63.26 24.44 14.3 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 179.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 22' ' ' ARG . . . . . . . . . . . . . 69.0 mtt180 -70.12 -39.51 75.4 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.756 0.789 . . . . 0.0 108.945 177.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 23' ' ' GLY . . . . . 0.478 ' HA3' HG23 ' F' ' 27' ' ' THR . . . 127.8 162.78 11.2 Favored Glycine 0 N--CA 1.441 -1.0 0 CA-C-N 114.191 -1.368 . . . . 0.0 110.316 -178.391 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' H' H ' 24' ' ' PHE . . . . . 1.037 ' HE2' ' HB3' ' H' ' 16' ' ' TYR . 36.5 p90 -165.19 174.39 10.32 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 117.205 0.503 . . . . 0.0 110.461 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' H' H ' 25' ' ' PHE . . . . . . . . . . . . . 4.9 p90 -126.91 139.63 52.93 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 178.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 26' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -131.23 103.42 6.46 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.09 0.471 . . . . 0.0 109.734 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 27' ' ' THR . . . . . 0.467 HG23 ' HA3' ' F' ' 23' ' ' GLY . 6.1 p -121.84 95.8 47.49 Favored Pre-proline 0 C--N 1.317 -0.813 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.853 -179.271 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' H' H ' 28' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -81.27 41.24 1.11 Allowed 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.817 2.345 . . . . 0.0 111.232 179.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 29' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -129.07 89.29 2.84 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.918 -1.037 . . . . 0.0 109.499 -178.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 30' ' ' THR . . . . . . . . . . . . . 14.9 t . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.824 -0.607 . . . . 0.0 109.547 -179.224 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' I' I ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.409 0 N-CA-C 112.355 -0.298 . . . . 0.0 112.355 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' I' I ' 2' ' ' ILE . . . . . . . . . . . . . 8.6 tt -167.36 -36.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.083 0.468 . . . . 0.0 110.753 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 3' ' ' VAL . . . . . 0.61 HG12 ' HG3' ' J' ' 4' ' ' GLN . 96.5 t -67.43 -48.68 76.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.329 0.585 . . . . 0.0 110.26 179.265 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' I' I ' 4' ' ' GLU . . . . . 0.466 ' CD ' ' H ' ' I' ' 4' ' ' GLU . 0.4 OUTLIER -67.15 -20.5 65.76 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.499 -179.863 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' I' I ' 5' ' ' GLN . . . . . 0.499 ' HG2' ' SG ' ' I' ' 11' ' ' CYS . 36.9 tt0 -97.11 -39.73 9.17 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 113.018 0.747 . . . . 0.0 113.018 -177.536 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' I' I ' 6' ' ' CYS . . . . . . . . . . . . . 86.2 m -104.44 -35.59 7.85 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 -176.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 7' ' ' CYS . . . . . 0.462 ' HB2' HD12 ' J' ' 11' ' ' LEU . 52.7 t -73.58 -12.88 60.91 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.411 -0.516 . . . . 0.0 111.079 -179.086 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' I' I ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.24 -60.84 2.03 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.143 179.596 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' I' I ' 9' ' ' SER . . . . . 0.439 ' O ' ' HB ' ' I' ' 10' ' ' ILE . 73.4 m -151.29 32.14 0.59 Allowed 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 111.753 0.279 . . . . 0.0 111.753 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' I' I ' 10' ' ' ILE . . . . . 0.472 HG12 ' HB3' ' B' ' 5' ' ' HIS . 1.7 mp 72.44 147.56 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 CA-C-O 121.415 0.626 . . . . 0.0 112.626 178.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' I' I ' 11' ' ' CYS . . . . . 0.499 ' SG ' ' HG2' ' I' ' 5' ' ' GLN . 96.0 m -106.94 172.35 6.87 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 123.441 0.696 . . . . 0.0 110.267 179.577 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' I' I ' 12' ' ' SER . . . . . . . . . . . . . 44.2 m -82.07 168.19 18.04 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.795 0.331 . . . . 0.0 110.445 178.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 13' ' ' LEU . . . . . 0.508 ' HG ' HG12 ' J' ' 18' ' ' VAL . 10.1 tt -57.0 -54.11 50.42 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.808 -179.029 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -69.97 -16.1 63.14 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -179.018 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -71.75 -37.72 70.5 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 178.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 16' ' ' LEU . . . . . 0.427 ' HB3' HD22 ' J' ' 15' ' ' LEU . 88.2 mt -71.38 -30.35 66.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.126 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' I' I ' 17' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -63.66 -20.76 65.96 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.332 -179.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 18' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -71.94 -8.17 52.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.844 0.354 . . . . 0.0 111.357 179.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 19' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -106.65 4.28 27.72 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.952 0.406 . . . . 0.0 110.842 -179.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 20' ' ' CYS . . . . . . . . . . . . . 65.8 m -69.57 158.66 34.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.914 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 21' ' ' ASN . . . . . . . . . . . . . 2.8 m120 . . . . . 0 C--O 1.249 1.057 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.057 179.229 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' J' J ' 1' ' ' PHE . . . . . 0.641 ' O ' HG21 ' J' ' 2' ' ' VAL . 56.0 t80 . . . . . 0 N--CA 1.484 1.257 0 CA-C-O 120.371 0.129 . . . . 0.0 110.937 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 2' ' ' VAL . . . . . 0.641 HG21 ' O ' ' J' ' 1' ' ' PHE . 28.6 m 45.89 -146.55 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 C-N-CA 124.183 0.993 . . . . 0.0 112.58 -179.237 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' J' J ' 3' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -160.24 -173.16 3.89 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 -178.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 4' ' ' GLN . . . . . 0.78 ' HA ' ' HB3' ' J' ' 7' ' ' CYS . 0.0 OUTLIER -56.12 -25.5 46.19 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.843 0.354 . . . . 0.0 110.147 179.375 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' J' J ' 5' ' ' HIS . . . . . 0.522 ' NE2' ' HG ' ' L' ' 17' ' ' LEU . 34.7 t60 -58.08 -18.22 23.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.564 179.445 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' J' J ' 6' ' ' LEU . . . . . 0.587 HD23 ' H4 ' ' E' ' 22' ' ' IPH . 36.5 mt -127.33 -8.79 5.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.241 0.543 . . . . 0.0 110.143 178.493 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' J' J ' 7' ' ' CYS . . . . . 0.78 ' HB3' ' HA ' ' J' ' 4' ' ' GLN . 6.6 t -88.96 -42.86 11.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.186 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' J' J ' 8' ' ' GLY . . . . . 0.647 ' HA2' HD13 ' J' ' 11' ' ' LEU . . . -63.26 -28.82 72.86 Favored Glycine 0 N--CA 1.452 -0.238 0 CA-C-N 116.001 -0.545 . . . . 0.0 113.155 -179.429 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' J' J ' 9' ' ' SER . . . . . 0.884 ' HB2' ' HG2' ' L' ' 13' ' ' GLU . 35.4 p -61.29 -24.89 66.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.855 0.359 . . . . 0.0 111.528 -179.372 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' J' J ' 10' ' ' HIS . . . . . 0.486 ' HA ' ' HG3' ' J' ' 13' ' ' GLU . 98.5 m-70 -98.97 -17.29 18.39 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.888 0.375 . . . . 0.0 111.1 -179.14 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' J' J ' 11' ' ' LEU . . . . . 0.886 HD21 ' H5 ' ' I' ' 22' ' ' IPH . 49.5 mt -71.37 -40.46 70.61 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 177.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' J' J ' 12' ' ' VAL . . . . . 0.547 ' HA ' ' HB2' ' J' ' 15' ' ' LEU . 3.2 m -68.67 -27.22 35.28 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 CA-C-N 114.98 -1.009 . . . . 0.0 111.843 179.593 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' J' J ' 13' ' ' GLU . . . . . 0.889 ' HG2' ' HB2' ' L' ' 9' ' ' SER . 39.7 mt-10 -60.07 -46.11 90.66 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.342 0.592 . . . . 0.0 109.829 179.355 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' J' J ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.94 -26.47 48.94 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.357 179.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 15' ' ' LEU . . . . . 0.547 ' HB2' ' HA ' ' J' ' 12' ' ' VAL . 12.8 mt -55.77 -57.38 12.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.901 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' J' J ' 16' ' ' TYR . . . . . 1.059 ' HB3' ' HE2' ' J' ' 24' ' ' PHE . 18.4 p90 -74.07 -27.52 60.95 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 119.735 -0.786 . . . . 0.0 111.397 -179.139 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' J' J ' 17' ' ' LEU . . . . . 0.629 HD13 ' H3 ' ' C' ' 22' ' ' IPH . 7.0 tt -66.86 -51.41 55.84 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.326 179.744 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' J' J ' 18' ' ' VAL . . . . . 0.508 HG12 ' HG ' ' I' ' 13' ' ' LEU . 74.6 t -70.52 -36.95 68.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 179.658 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' J' J ' 19' ' ' CYS . . . . . . . . . . . . . 37.5 t -65.54 -20.33 66.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.332 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.71 27.27 32.6 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.299 -0.953 . . . . 0.0 112.375 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 21' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 62.55 26.38 15.67 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 113.183 0.809 . . . . 0.0 113.183 179.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 22' ' ' ARG . . . . . . . . . . . . . 63.5 mtt180 -71.94 -40.59 68.63 Favored 'General case' 0 CA--C 1.519 -0.215 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 178.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 23' ' ' GLY . . . . . 0.43 ' HA3' HG23 ' L' ' 27' ' ' THR . . . 129.42 162.95 11.05 Favored Glycine 0 N--CA 1.443 -0.89 0 CA-C-N 114.167 -1.378 . . . . 0.0 110.18 -178.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' J' J ' 24' ' ' PHE . . . . . 1.059 ' HE2' ' HB3' ' J' ' 16' ' ' TYR . 36.4 p90 -165.3 173.6 11.04 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 117.261 0.53 . . . . 0.0 110.472 -179.615 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' J' J ' 25' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -126.09 139.81 53.09 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.251 178.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 26' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -131.31 103.71 6.61 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.042 0.449 . . . . 0.0 109.823 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 27' ' ' THR . . . . . 0.473 HG23 ' HA3' ' L' ' 23' ' ' GLY . 8.1 p -122.14 95.44 47.33 Favored Pre-proline 0 C--N 1.318 -0.79 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.063 -179.288 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' J' J ' 28' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_endo -80.6 40.2 0.95 Allowed 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.765 2.31 . . . . 0.0 111.235 179.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 29' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -128.6 89.33 2.88 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.771 -1.104 . . . . 0.0 109.501 -179.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 30' ' ' THR . . . . . . . . . . . . . 15.3 t . . . . . 0 C--O 1.248 0.99 0 CA-C-O 118.849 -0.596 . . . . 0.0 109.584 -179.361 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.166 0 N-CA-C 111.719 -0.552 . . . . 0.0 111.719 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' K' K ' 2' ' ' ILE . . . . . . . . . . . . . 9.4 tt -167.01 -37.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 120.783 0.325 . . . . 0.0 110.772 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' K' K ' 3' ' ' VAL . . . . . 0.589 HG12 ' HG3' ' L' ' 4' ' ' GLN . 93.8 t -66.31 -48.43 81.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 121.278 0.561 . . . . 0.0 110.455 179.472 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' K' K ' 4' ' ' GLU . . . . . 0.455 ' CD ' ' H ' ' K' ' 4' ' ' GLU . 0.4 OUTLIER -67.61 -20.17 65.32 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.294 -179.831 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' K' K ' 5' ' ' GLN . . . . . 0.488 ' HG2' ' SG ' ' K' ' 11' ' ' CYS . 36.0 tt0 -97.32 -39.73 9.08 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -177.378 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' K' K ' 6' ' ' CYS . . . . . . . . . . . . . 83.4 m -104.22 -35.98 7.82 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 114.256 1.206 . . . . 0.0 114.256 -176.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' K' K ' 7' ' ' CYS . . . . . 0.495 ' HB2' HD12 ' L' ' 11' ' ' LEU . 52.6 t -73.25 -12.91 61.03 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 121.839 -0.538 . . . . 0.0 111.148 -178.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' K' K ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.47 -60.79 2.06 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.157 179.385 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' K' K ' 9' ' ' SER . . . . . 0.438 ' O ' ' HB ' ' K' ' 10' ' ' ILE . 73.0 m -151.34 31.79 0.59 Allowed 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' K' K ' 10' ' ' ILE . . . . . 0.482 HD13 ' HB ' ' H' ' 2' ' ' VAL . 1.7 mp 72.5 144.62 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.625 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 178.556 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' K' K ' 11' ' ' CYS . . . . . 0.488 ' SG ' ' HG2' ' K' ' 5' ' ' GLN . 97.0 m -104.03 172.67 6.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.316 179.382 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' K' K ' 12' ' ' SER . . . . . . . . . . . . . 42.3 m -81.91 167.88 18.5 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.747 0.308 . . . . 0.0 110.382 179.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' K' K ' 13' ' ' LEU . . . . . 0.509 ' HG ' HG12 ' L' ' 18' ' ' VAL . 10.2 tt -57.36 -54.07 50.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.609 -179.076 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -69.57 -17.07 63.52 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -178.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -70.5 -39.72 73.98 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 178.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' K' K ' 16' ' ' LEU . . . . . 0.438 ' HB3' HD22 ' L' ' 15' ' ' LEU . 88.3 mt -69.17 -31.29 69.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.154 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' K' K ' 17' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -62.62 -20.66 64.98 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.521 -179.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' K' K ' 18' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -71.66 -10.45 59.79 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.899 0.38 . . . . 0.0 111.215 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' K' K ' 19' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -104.49 3.96 32.59 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.963 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' K' K ' 20' ' ' CYS . . . . . . . . . . . . . 68.1 m -68.88 159.63 32.21 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.16 0.505 . . . . 0.0 112.078 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' K' K ' 21' ' ' ASN . . . . . . . . . . . . . 2.8 m120 . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.475 -0.774 . . . . 0.0 109.975 178.948 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' L' L ' 1' ' ' PHE . . . . . 0.637 ' O ' HG21 ' L' ' 2' ' ' VAL . 55.0 t80 . . . . . 0 N--CA 1.484 1.236 0 N-CA-C 111.365 0.135 . . . . 0.0 111.365 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' L' L ' 2' ' ' VAL . . . . . 0.637 HG21 ' O ' ' L' ' 1' ' ' PHE . 28.5 m 46.14 -146.71 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 C-N-CA 124.281 1.032 . . . . 0.0 112.579 -179.281 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' L' L ' 3' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -160.05 -172.22 3.53 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 -178.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' L' L ' 4' ' ' GLN . . . . . 0.805 ' HA ' ' HB3' ' L' ' 7' ' ' CYS . 0.0 OUTLIER -56.92 -25.13 56.72 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.155 179.414 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' L' L ' 5' ' ' HIS . . . . . 0.529 ' NE2' ' HG ' ' J' ' 17' ' ' LEU . 34.9 t60 -58.7 -18.05 27.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.427 179.463 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' L' L ' 6' ' ' LEU . . . . . 0.59 HD23 ' H4 ' ' C' ' 22' ' ' IPH . 35.8 mt -127.03 -9.11 5.96 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.28 0.562 . . . . 0.0 109.967 178.461 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' L' L ' 7' ' ' CYS . . . . . 0.805 ' HB3' ' HA ' ' L' ' 4' ' ' GLN . 5.6 t -88.46 -43.7 11.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.121 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' L' L ' 8' ' ' GLY . . . . . 0.616 ' HA2' HD13 ' L' ' 11' ' ' LEU . . . -62.38 -28.6 71.33 Favored Glycine 0 N--CA 1.452 -0.249 0 CA-C-N 116.1 -0.5 . . . . 0.0 113.321 -179.438 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' L' L ' 9' ' ' SER . . . . . 0.889 ' HB2' ' HG2' ' J' ' 13' ' ' GLU . 28.2 p -61.38 -24.83 66.76 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.926 0.393 . . . . 0.0 111.526 -179.263 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' L' L ' 10' ' ' HIS . . . . . 0.479 ' HA ' ' HG3' ' L' ' 13' ' ' GLU . 98.4 m-70 -99.36 -17.18 18.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.964 0.411 . . . . 0.0 110.968 -179.237 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' L' L ' 11' ' ' LEU . . . . . 0.871 HD21 ' H5 ' ' K' ' 22' ' ' IPH . 55.9 mt -71.31 -40.39 70.82 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 177.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' L' L ' 12' ' ' VAL . . . . . 0.547 ' HA ' ' HB2' ' L' ' 15' ' ' LEU . 3.0 m -68.64 -27.5 36.44 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-N 114.989 -1.005 . . . . 0.0 112.003 179.529 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' L' L ' 13' ' ' GLU . . . . . 0.884 ' HG2' ' HB2' ' J' ' 9' ' ' SER . 40.6 mt-10 -59.72 -46.89 87.73 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 121.347 0.594 . . . . 0.0 109.717 179.49 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' L' L ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.12 -26.97 53.82 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.495 179.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' L' L ' 15' ' ' LEU . . . . . 0.547 ' HB2' ' HA ' ' L' ' 12' ' ' VAL . 12.5 mt -55.29 -57.5 11.55 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.915 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' L' L ' 16' ' ' TYR . . . . . 1.063 ' HB3' ' HE2' ' L' ' 24' ' ' PHE . 19.0 p90 -74.27 -27.55 60.8 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 119.787 -0.765 . . . . 0.0 111.235 -179.062 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' L' L ' 17' ' ' LEU . . . . . 0.629 HD13 ' H3 ' ' E' ' 22' ' ' IPH . 7.1 tt -66.54 -51.98 50.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.144 179.697 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' L' L ' 18' ' ' VAL . . . . . 0.509 HG12 ' HG ' ' K' ' 13' ' ' LEU . 78.0 t -69.7 -38.36 76.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.172 179.746 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' L' L ' 19' ' ' CYS . . . . . . . . . . . . . 36.3 t -63.95 -23.33 67.3 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.497 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' L' L ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.98 26.38 26.64 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.127 -1.035 . . . . 0.0 111.97 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' L' L ' 21' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 63.25 25.74 14.87 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 179.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' L' L ' 22' ' ' ARG . . . . . . . . . . . . . 66.5 mtt180 -70.66 -41.27 72.31 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 177.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' L' L ' 23' ' ' GLY . . . . . 0.473 ' HA3' HG23 ' J' ' 27' ' ' THR . . . 129.47 162.87 11.01 Favored Glycine 0 N--CA 1.441 -1.027 0 CA-C-N 114.152 -1.385 . . . . 0.0 109.984 -178.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' L' L ' 24' ' ' PHE . . . . . 1.063 ' HE2' ' HB3' ' L' ' 16' ' ' TYR . 37.4 p90 -164.62 174.57 10.67 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 117.192 0.496 . . . . 0.0 110.498 -179.652 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' L' L ' 25' ' ' PHE . . . . . . . . . . . . . 5.1 p90 -126.95 139.38 53.09 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 178.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' L' L ' 26' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -131.37 103.19 6.3 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.156 0.503 . . . . 0.0 109.741 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' L' L ' 27' ' ' THR . . . . . 0.43 HG23 ' HA3' ' J' ' 23' ' ' GLY . 11.1 p -121.49 95.91 47.96 Favored Pre-proline 0 C--N 1.318 -0.785 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.946 -179.322 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' L' L ' 28' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -81.14 41.51 1.16 Allowed 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.779 2.319 . . . . 0.0 111.194 179.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' L' L ' 29' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -129.55 90.86 3.06 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 114.816 -1.084 . . . . 0.0 109.188 -179.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' L' L ' 30' ' ' THR . . . . . . . . . . . . . 15.4 t . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.636 -0.697 . . . . 0.0 109.57 -179.379 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' IPH . . . . . 0.852 ' H5 ' HD21 ' B' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 22' ' ' IPH . . . . . 0.85 ' H5 ' HD21 ' D' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 22' ' ' IPH . . . . . 0.884 ' H5 ' HD21 ' F' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 22' ' ' IPH . . . . . 0.859 ' H5 ' HD21 ' H' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 22' ' ' IPH . . . . . 0.886 ' H5 ' HD21 ' J' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' K' K ' 22' ' ' IPH . . . . . 0.871 ' H5 ' HD21 ' L' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.933 0 N-CA-C 112.118 -0.393 . . . . 0.0 112.118 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 11.4 tt -56.29 -40.24 64.87 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -179.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 44.9 t -64.63 -47.6 88.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.061 0.458 . . . . 0.0 110.862 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -67.11 -11.37 57.01 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.538 -179.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.546 ' HG2' ' SG ' ' A' ' 11' ' ' CYS . 34.4 tt0 -107.92 -37.91 5.97 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -178.613 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.611 ' HB3' ' H6 ' ' A' ' 22' ' ' IPH . 84.6 m -97.95 -32.2 11.79 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 -177.604 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.444 ' O ' HG11 ' F' ' 2' ' ' VAL . 41.5 t -78.06 -17.61 56.8 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.664 -0.415 . . . . 0.0 110.605 -179.679 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.91 -59.54 2.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.807 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.438 ' O ' ' HB ' ' A' ' 10' ' ' ILE . 45.4 m -149.01 30.39 0.79 Allowed 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.022 0.378 . . . . 0.0 112.022 -179.228 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.491 HG21 ' N ' ' A' ' 11' ' ' CYS . 1.8 mp 71.41 142.52 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 CA-C-O 121.545 0.688 . . . . 0.0 112.688 178.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.546 ' SG ' ' HG2' ' A' ' 5' ' ' GLN . 97.7 m -104.69 160.6 14.84 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.529 -0.759 . . . . 0.0 109.889 179.114 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.6 m -69.01 158.96 33.73 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.316 179.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.8 tt -58.95 -57.34 13.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.751 0.31 . . . . 0.0 110.765 -179.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 11.3 p90 -63.32 -20.37 65.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.907 0.384 . . . . 0.0 111.2 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -70.95 -37.2 72.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.054 0.454 . . . . 0.0 109.993 179.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.476 ' HB3' HD22 ' B' ' 15' ' ' LEU . 92.1 mt -69.76 -28.67 65.97 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.22 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 77.3 tt0 -66.22 -17.68 64.88 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.991 -179.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -74.22 -6.24 46.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.112 0.482 . . . . 0.0 110.611 179.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -109.47 -102.41 0.38 Allowed 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 178.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.447 ' HB3' ' H ' ' A' ' 21' ' ' ASN . 35.5 m 51.63 -126.78 2.4 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 112.516 0.562 . . . . 0.0 112.516 178.44 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.447 ' H ' ' HB3' ' A' ' 20' ' ' CYS . 0.7 OUTLIER . . . . . 0 C--O 1.247 0.954 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 -179.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . 0.482 ' O ' HG21 ' B' ' 2' ' ' VAL . 51.4 t80 . . . . . 0 N--CA 1.482 1.156 0 CA-C-O 120.236 0.065 . . . . 0.0 111.068 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . 0.482 HG21 ' O ' ' B' ' 1' ' ' PHE . 20.5 m 40.39 -125.84 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 123.929 0.891 . . . . 0.0 112.793 -179.512 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -164.79 164.08 21.17 Favored 'General case' 0 C--O 1.237 0.409 0 O-C-N 122.372 -0.205 . . . . 0.0 110.467 -178.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -51.36 -29.52 15.7 Favored 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 123.262 0.625 . . . . 0.0 110.848 179.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . 0.467 ' CD2' HG22 ' I' ' 10' ' ' ILE . 71.1 t60 -53.77 -20.82 6.16 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.303 179.492 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.419 HD23 ' H4 ' ' I' ' 22' ' ' IPH . 21.7 mt -114.45 -39.73 3.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.814 0.34 . . . . 0.0 110.719 179.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 46.8 t -66.76 -44.31 81.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.477 -179.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.33 -35.66 91.96 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.848 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' SER . . . . . 0.48 ' O ' HG23 ' B' ' 12' ' ' VAL . 1.7 m -61.14 -33.29 73.16 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -179.437 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -88.82 -6.99 56.98 Favored 'General case' 0 CA--C 1.509 -0.596 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 -178.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.723 HD13 ' HH ' ' B' ' 26' ' ' TYR . 45.7 mt -73.02 -17.96 61.39 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 177.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.783 ' HB ' ' CZ ' ' B' ' 24' ' ' PHE . 5.0 m -71.26 -34.97 56.12 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.475 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.661 179.31 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.683 ' N ' HG21 ' B' ' 12' ' ' VAL . 28.2 mm-40 -56.1 -42.33 76.64 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-O 121.843 0.83 . . . . 0.0 108.844 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.15 -50.25 42.36 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 114.483 -1.235 . . . . 0.0 110.823 178.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.476 HD22 ' HB3' ' A' ' 16' ' ' LEU . 91.4 mt -58.18 -56.49 21.36 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.239 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . 0.436 ' HB2' ' O ' ' B' ' 12' ' ' VAL . 1.0 OUTLIER -47.16 -44.41 21.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.479 -179.527 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.464 HD12 ' HE2' ' D' ' 5' ' ' HIS . 2.5 mm? -62.81 -45.83 90.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.139 179.733 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 57.8 t -70.75 -37.7 69.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.124 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . 0.436 ' HB3' ' HB2' ' B' ' 22' ' ' ARG . 77.6 m -65.19 -28.01 69.09 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.212 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.74 -110.45 3.03 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.707 -0.758 . . . . 0.0 111.881 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -94.11 -3.61 50.77 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.79 0.328 . . . . 0.0 110.998 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . 0.436 ' HB2' ' HB3' ' B' ' 19' ' ' CYS . 78.4 mtt180 -82.27 167.55 18.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.052 0.453 . . . . 0.0 110.105 178.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . 0.43 ' HA3' ' HD2' ' D' ' 28' ' ' PRO . . . -103.91 -152.73 22.91 Favored Glycine 0 N--CA 1.44 -1.049 0 N-CA-C 109.66 -1.376 . . . . 0.0 109.66 177.104 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . 0.783 ' CZ ' ' HB ' ' B' ' 12' ' ' VAL . 3.0 p90 -166.52 141.19 4.27 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.688 0.756 . . . . 0.0 111.589 178.752 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . 0.623 ' HA ' ' HA ' ' D' ' 25' ' ' PHE . 3.0 p90 -99.24 90.85 4.71 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 178.066 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.723 ' HH ' HD13 ' B' ' 11' ' ' LEU . 8.1 t80 -83.01 91.74 7.23 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.533 -178.089 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 16.0 p -110.04 94.66 18.41 Favored Pre-proline 0 C--N 1.319 -0.745 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.432 179.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . 0.424 ' HD2' ' HA3' ' D' ' 23' ' ' GLY . 74.6 Cg_endo -78.27 52.57 4.15 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.775 2.317 . . . . 0.0 112.218 -179.272 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 44.4 tttm -153.55 142.6 21.28 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.481 -0.782 . . . . 0.0 109.431 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 7.4 m . . . . . 0 C--O 1.255 1.367 0 CA-C-O 117.882 -1.056 . . . . 0.0 108.545 178.795 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.192 0 N-CA-C 111.737 -0.545 . . . . 0.0 111.737 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 2' ' ' ILE . . . . . 0.409 HD11 HG22 ' C' ' 2' ' ' ILE . 10.8 tt -59.43 -38.78 76.88 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 C-N-CA 122.749 0.42 . . . . 0.0 111.999 179.686 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 47.5 t -66.12 -46.7 87.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.221 0.534 . . . . 0.0 110.807 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -67.41 -10.95 56.2 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.663 -0.699 . . . . 0.0 112.153 -179.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 5' ' ' GLN . . . . . 0.542 ' HG2' ' SG ' ' C' ' 11' ' ' CYS . 34.3 tt0 -108.69 -37.27 5.95 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -178.457 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 6' ' ' CYS . . . . . 0.589 ' HB3' ' H6 ' ' C' ' 22' ' ' IPH . 86.2 m -98.79 -32.07 11.55 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 113.53 0.937 . . . . 0.0 113.53 -177.462 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 7' ' ' CYS . . . . . 0.435 ' HB2' HD12 ' D' ' 11' ' ' LEU . 41.7 t -78.19 -17.1 57.22 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 122.059 -0.4 . . . . 0.0 110.725 -179.627 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.4 -59.87 2.6 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.558 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 46.6 m -149.39 31.79 0.74 Allowed 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.068 0.395 . . . . 0.0 112.068 -179.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . 0.468 HG21 ' N ' ' C' ' 11' ' ' CYS . 1.8 mp 70.22 142.28 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 178.726 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 11' ' ' CYS . . . . . 0.542 ' SG ' ' HG2' ' C' ' 5' ' ' GLN . 95.7 m -104.12 160.73 14.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.276 178.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 4.9 m -68.47 159.13 32.29 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.463 179.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 13' ' ' LEU . . . . . 0.409 ' C ' HD21 ' C' ' 13' ' ' LEU . 6.9 tt -59.86 -56.02 26.9 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.645 0.26 . . . . 0.0 110.842 -179.309 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 11.3 p90 -64.76 -19.74 65.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.804 0.335 . . . . 0.0 111.303 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -71.21 -37.23 72.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.053 -0.522 . . . . 0.0 109.804 179.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 16' ' ' LEU . . . . . 0.494 ' HB3' HD22 ' D' ' 15' ' ' LEU . 90.3 mt -69.54 -29.0 66.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.282 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 79.0 tt0 -65.25 -20.3 66.36 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.08 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -71.89 -6.42 41.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.042 0.449 . . . . 0.0 110.82 179.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -109.38 -103.36 0.37 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 178.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 40.1 m 52.35 -126.44 2.42 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 178.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.247 0.953 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 1' ' ' PHE . . . . . 0.477 ' O ' HG21 ' D' ' 2' ' ' VAL . 48.9 t80 . . . . . 0 N--CA 1.477 0.92 0 CA-C-O 120.241 0.067 . . . . 0.0 110.925 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 2' ' ' VAL . . . . . 0.477 HG21 ' O ' ' D' ' 1' ' ' PHE . 21.6 m 40.83 -125.41 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 123.975 0.91 . . . . 0.0 112.73 -179.297 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 3' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -164.99 164.34 20.6 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 120.45 0.167 . . . . 0.0 110.573 -178.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -51.21 -29.89 15.52 Favored 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 123.246 0.618 . . . . 0.0 110.8 178.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 5' ' ' HIS . . . . . 0.464 ' HE2' HD12 ' B' ' 17' ' ' LEU . 70.4 t60 -53.66 -20.73 5.7 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.444 179.665 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 6' ' ' LEU . . . . . 0.423 HD23 ' H4 ' ' G' ' 22' ' ' IPH . 23.0 mt -114.68 -39.93 3.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.765 178.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 7' ' ' CYS . . . . . . . . . . . . . 43.2 t -66.7 -43.82 83.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.408 -179.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.83 -35.76 92.43 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 121.073 -0.584 . . . . 0.0 112.941 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 9' ' ' SER . . . . . 0.486 ' O ' HG23 ' D' ' 12' ' ' VAL . 1.7 m -60.78 -33.69 73.36 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.782 0.325 . . . . 0.0 111.833 -179.594 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 10' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -88.33 -7.28 56.95 Favored 'General case' 0 CA--C 1.511 -0.526 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 -178.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 11' ' ' LEU . . . . . 0.754 HD13 ' HH ' ' D' ' 26' ' ' TYR . 48.5 mt -73.16 -18.03 61.31 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 178.009 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . 0.79 ' HB ' ' CZ ' ' D' ' 24' ' ' PHE . 4.8 m -71.06 -34.81 56.53 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.402 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.539 179.216 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 13' ' ' GLU . . . . . 0.678 ' N ' HG21 ' D' ' 12' ' ' VAL . 29.5 mm-40 -56.2 -42.59 77.41 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-O 121.879 0.847 . . . . 0.0 108.852 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.66 -50.75 40.99 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.356 -1.293 . . . . 0.0 110.748 178.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 15' ' ' LEU . . . . . 0.494 HD22 ' HB3' ' C' ' 16' ' ' LEU . 91.7 mt -57.45 -57.04 14.41 Favored 'General case' 0 C--O 1.225 -0.21 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.352 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 16' ' ' TYR . . . . . 0.438 ' HB2' ' O ' ' D' ' 12' ' ' VAL . 1.0 OUTLIER -46.78 -44.4 19.08 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 123.807 0.843 . . . . 0.0 111.656 -179.507 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . 0.462 HD11 ' HE2' ' B' ' 5' ' ' HIS . 2.5 mm? -62.59 -46.25 89.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.231 179.66 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 58.8 t -70.26 -39.7 77.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 19' ' ' CYS . . . . . 0.434 ' HB3' ' HB2' ' D' ' 22' ' ' ARG . 70.1 m -63.04 -27.82 69.67 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.223 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.93 -110.38 3.03 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.72 -0.752 . . . . 0.0 111.86 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -93.38 -5.01 50.43 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.586 0.231 . . . . 0.0 111.117 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 22' ' ' ARG . . . . . 0.434 ' HB2' ' HB3' ' D' ' 19' ' ' CYS . 78.9 mtt180 -81.15 167.01 20.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.029 0.442 . . . . 0.0 110.351 179.021 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 23' ' ' GLY . . . . . 0.424 ' HA3' ' HD2' ' B' ' 28' ' ' PRO . . . -103.04 -152.54 23.76 Favored Glycine 0 N--CA 1.44 -1.08 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 176.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 24' ' ' PHE . . . . . 0.79 ' CZ ' ' HB ' ' D' ' 12' ' ' VAL . 2.8 p90 -166.5 141.26 4.31 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.602 0.715 . . . . 0.0 111.656 178.658 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 25' ' ' PHE . . . . . 0.623 ' HA ' ' HA ' ' B' ' 25' ' ' PHE . 3.0 p90 -99.13 90.55 4.63 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 107.818 -1.178 . . . . 0.0 107.818 177.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 26' ' ' TYR . . . . . 0.754 ' HH ' HD13 ' D' ' 11' ' ' LEU . 8.0 t80 -82.51 92.32 7.06 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.608 -178.097 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 27' ' ' THR . . . . . . . . . . . . . 17.3 p -110.71 94.47 19.84 Favored Pre-proline 0 C--N 1.319 -0.749 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.796 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 28' ' ' PRO . . . . . 0.43 ' HD2' ' HA3' ' B' ' 23' ' ' GLY . 82.7 Cg_endo -78.16 53.71 4.61 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.843 2.362 . . . . 0.0 112.154 -179.305 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 43.7 tttm -155.35 141.04 18.01 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.573 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 8.1 m . . . . . 0 C--O 1.254 1.307 0 CA-C-O 118.227 -0.892 . . . . 0.0 109.258 179.12 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.594 0 N-CA-C 111.642 -0.583 . . . . 0.0 111.642 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' E' E ' 2' ' ' ILE . . . . . . . . . . . . . 10.9 tt -59.17 -38.18 72.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -178.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 48.1 t -66.41 -46.9 85.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.067 0.46 . . . . 0.0 110.821 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 4' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -66.17 -13.66 60.57 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.652 -0.703 . . . . 0.0 112.116 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 5' ' ' GLN . . . . . 0.547 ' HG2' ' SG ' ' E' ' 11' ' ' CYS . 35.5 tt0 -106.84 -36.98 6.51 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -178.164 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 6' ' ' CYS . . . . . 0.592 ' HB3' ' H6 ' ' E' ' 22' ' ' IPH . 84.8 m -98.88 -31.48 11.82 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 113.47 0.915 . . . . 0.0 113.47 -177.381 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 7' ' ' CYS . . . . . 0.438 ' HB2' HD12 ' F' ' 11' ' ' LEU . 42.0 t -79.23 -16.13 56.98 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.114 0.483 . . . . 0.0 110.523 -179.598 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.31 -59.17 2.91 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.582 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 9' ' ' SER . . . . . 0.41 ' O ' ' HB ' ' E' ' 10' ' ' ILE . 58.1 m -149.43 30.87 0.75 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -179.51 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 10' ' ' ILE . . . . . 0.479 HG21 ' N ' ' E' ' 11' ' ' CYS . 1.7 mp 70.82 141.7 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 CA-C-O 121.478 0.656 . . . . 0.0 112.725 178.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 11' ' ' CYS . . . . . 0.547 ' SG ' ' HG2' ' E' ' 5' ' ' GLN . 98.0 m -103.49 161.61 13.73 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.225 178.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 12' ' ' SER . . . . . . . . . . . . . 8.0 m -69.3 159.82 32.39 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.225 179.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 13' ' ' LEU . . . . . 0.423 ' C ' HD21 ' E' ' 13' ' ' LEU . 7.0 tt -60.72 -55.82 28.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.611 0.243 . . . . 0.0 110.768 -179.2 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 12.6 p90 -65.02 -19.55 66.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.858 0.361 . . . . 0.0 111.04 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -71.0 -38.4 72.68 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.905 179.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 16' ' ' LEU . . . . . 0.484 ' HB3' HD22 ' F' ' 15' ' ' LEU . 92.6 mt -68.51 -28.54 67.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.249 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 17' ' ' GLU . . . . . . . . . . . . . 75.1 tt0 -65.99 -18.26 65.22 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.049 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 18' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -74.25 -4.19 34.57 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.229 0.538 . . . . 0.0 110.627 179.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 19' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -111.43 -103.57 0.39 Allowed 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 178.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 20' ' ' CYS . . . . . . . . . . . . . 37.1 m 52.4 -126.29 2.41 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 178.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.247 0.948 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 -179.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 1' ' ' PHE . . . . . 0.463 ' O ' HG21 ' F' ' 2' ' ' VAL . 50.0 t80 . . . . . 0 N--CA 1.482 1.149 0 CA-C-O 120.547 0.213 . . . . 0.0 110.591 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 2' ' ' VAL . . . . . 0.463 HG21 ' O ' ' F' ' 1' ' ' PHE . 21.7 m 39.8 -125.63 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 C-N-CA 123.919 0.888 . . . . 0.0 112.9 -179.496 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' F' F ' 3' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -164.52 164.13 21.85 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 120.5 0.19 . . . . 0.0 110.636 -178.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 4' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -51.42 -29.12 14.88 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 123.286 0.634 . . . . 0.0 110.883 178.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 5' ' ' HIS . . . . . 0.483 ' HE2' HD12 ' H' ' 17' ' ' LEU . 72.6 t60 -54.88 -19.96 7.75 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.3 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' F' F ' 6' ' ' LEU . . . . . 0.447 HD23 ' H4 ' ' A' ' 22' ' ' IPH . 22.4 mt -114.79 -39.9 3.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.877 0.37 . . . . 0.0 110.799 178.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' F' F ' 7' ' ' CYS . . . . . . . . . . . . . 42.4 t -67.16 -43.51 82.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.369 -179.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.74 -35.85 92.5 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.921 -0.657 . . . . 0.0 113.036 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 9' ' ' SER . . . . . 0.493 ' O ' HG23 ' F' ' 12' ' ' VAL . 1.5 m -60.79 -33.63 73.27 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.898 0.38 . . . . 0.0 111.734 -179.548 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' F' F ' 10' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -88.28 -7.12 57.26 Favored 'General case' 0 CA--C 1.512 -0.517 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 -178.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 11' ' ' LEU . . . . . 0.728 HD13 ' HH ' ' F' ' 26' ' ' TYR . 45.0 mt -73.59 -17.57 61.16 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 177.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' F' F ' 12' ' ' VAL . . . . . 0.781 ' HB ' ' CZ ' ' F' ' 24' ' ' PHE . 5.0 m -71.48 -34.89 54.71 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.438 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.631 179.222 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' F' F ' 13' ' ' GLU . . . . . 0.688 ' N ' HG21 ' F' ' 12' ' ' VAL . 28.6 mm-40 -56.05 -42.59 76.83 Favored 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 179.667 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' F' F ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.78 -50.4 43.55 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.505 -1.225 . . . . 0.0 110.864 178.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 15' ' ' LEU . . . . . 0.484 HD22 ' HB3' ' E' ' 16' ' ' LEU . 90.9 mt -57.98 -57.05 14.53 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.194 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' F' F ' 16' ' ' TYR . . . . . 0.432 ' HB2' ' O ' ' F' ' 12' ' ' VAL . 1.0 OUTLIER -46.59 -44.52 18.18 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 123.789 0.835 . . . . 0.0 111.633 -179.562 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' F' F ' 17' ' ' LEU . . . . . 0.422 HD12 ' HE2' ' H' ' 5' ' ' HIS . 2.5 mm? -62.78 -45.86 90.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.255 179.646 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 62.4 t -70.71 -38.13 71.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.019 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 19' ' ' CYS . . . . . 0.427 ' HB3' ' HB2' ' F' ' 22' ' ' ARG . 79.6 m -64.8 -27.81 69.14 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.149 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' F' F ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.94 -110.17 2.96 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.002 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 21' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -94.82 -2.73 50.26 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.788 0.328 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 22' ' ' ARG . . . . . 0.427 ' HB2' ' HB3' ' F' ' 19' ' ' CYS . 76.9 mtt180 -83.08 167.58 17.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.228 -0.442 . . . . 0.0 109.931 179.027 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' F' F ' 23' ' ' GLY . . . . . 0.417 ' HA3' ' HD2' ' H' ' 28' ' ' PRO . . . -104.13 -152.94 22.79 Favored Glycine 0 N--CA 1.442 -0.902 0 N-CA-C 109.602 -1.399 . . . . 0.0 109.602 177.062 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' F' F ' 24' ' ' PHE . . . . . 0.781 ' CZ ' ' HB ' ' F' ' 12' ' ' VAL . 2.8 p90 -166.07 141.13 4.65 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.625 0.726 . . . . 0.0 111.713 178.761 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' F' F ' 25' ' ' PHE . . . . . 0.622 ' HA ' ' HA ' ' H' ' 25' ' ' PHE . 2.8 p90 -99.2 90.41 4.57 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 107.702 -1.221 . . . . 0.0 107.702 177.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' F' F ' 26' ' ' TYR . . . . . 0.728 ' HH ' HD13 ' F' ' 11' ' ' LEU . 7.9 t80 -82.51 92.75 7.13 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.454 -178.217 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' F' F ' 27' ' ' THR . . . . . . . . . . . . . 18.0 p -111.41 94.46 22.57 Favored Pre-proline 0 C--N 1.319 -0.733 0 CA-C-N 115.177 -0.92 . . . . 0.0 109.56 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 28' ' ' PRO . . . . . 0.437 ' HD2' ' HA3' ' H' ' 23' ' ' GLY . 75.5 Cg_endo -77.83 50.8 3.38 Favored 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 122.928 2.418 . . . . 0.0 112.398 -179.018 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' F' F ' 29' ' ' LYS . . . . . . . . . . . . . 42.8 tttm -153.25 139.0 17.93 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.066 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 30' ' ' THR . . . . . . . . . . . . . 10.2 m . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.199 -0.905 . . . . 0.0 109.432 179.234 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' G' G ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.733 0 N-CA-C 111.737 -0.545 . . . . 0.0 111.737 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' G' G ' 2' ' ' ILE . . . . . . . . . . . . . 10.8 tt -61.36 -37.86 78.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 111.865 0.321 . . . . 0.0 111.865 -178.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 47.1 t -66.67 -47.52 82.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.983 0.421 . . . . 0.0 110.535 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 4' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -65.68 -13.43 59.21 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.707 -0.678 . . . . 0.0 112.043 -179.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 5' ' ' GLN . . . . . 0.555 ' HG2' ' SG ' ' G' ' 11' ' ' CYS . 35.3 tt0 -106.51 -37.65 6.41 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -178.275 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' G' G ' 6' ' ' CYS . . . . . 0.61 ' HB3' ' H6 ' ' G' ' 22' ' ' IPH . 86.1 m -98.64 -31.4 11.95 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 113.512 0.931 . . . . 0.0 113.512 -177.32 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' G' G ' 7' ' ' CYS . . . . . 0.445 ' HB2' HD12 ' H' ' 11' ' ' LEU . 41.5 t -78.82 -16.47 57.07 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.512 -179.769 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' G' G ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.55 -60.23 2.38 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.631 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' G' G ' 9' ' ' SER . . . . . 0.431 ' O ' ' HB ' ' G' ' 10' ' ' ILE . 66.9 m -148.55 30.43 0.83 Allowed 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -179.51 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' G' G ' 10' ' ' ILE . . . . . 0.457 HG21 ' N ' ' G' ' 11' ' ' CYS . 1.7 mp 71.51 141.9 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 CA-C-O 121.644 0.735 . . . . 0.0 112.908 178.706 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' G' G ' 11' ' ' CYS . . . . . 0.555 ' SG ' ' HG2' ' G' ' 5' ' ' GLN . 98.8 m -103.69 161.97 13.47 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.137 179.151 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' G' G ' 12' ' ' SER . . . . . . . . . . . . . 8.4 m -69.3 160.5 31.12 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.071 179.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 13' ' ' LEU . . . . . 0.405 ' C ' HD21 ' G' ' 13' ' ' LEU . 7.0 tt -61.12 -56.26 22.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.729 0.3 . . . . 0.0 110.571 -179.716 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 11.0 p90 -64.42 -19.48 65.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.89 0.376 . . . . 0.0 111.181 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -71.72 -36.64 70.57 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.106 0.479 . . . . 0.0 110.026 179.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 16' ' ' LEU . . . . . 0.476 ' HB3' HD22 ' H' ' 15' ' ' LEU . 91.3 mt -70.08 -28.38 65.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.075 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' G' G ' 17' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -66.12 -18.43 65.34 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 120.994 0.426 . . . . 0.0 111.136 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 18' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -73.58 -5.05 37.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.123 0.487 . . . . 0.0 110.672 179.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 19' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -110.62 -103.53 0.39 Allowed 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 178.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 20' ' ' CYS . . . . . . . . . . . . . 36.3 m 52.33 -126.67 2.43 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 178.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 21' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.242 0.685 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 -179.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 1' ' ' PHE . . . . . 0.46 ' O ' HG21 ' H' ' 2' ' ' VAL . 50.3 t80 . . . . . 0 N--CA 1.481 1.12 0 CA-C-O 120.179 0.037 . . . . 0.0 110.998 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 2' ' ' VAL . . . . . 0.46 HG21 ' O ' ' H' ' 1' ' ' PHE . 21.8 m 40.43 -125.62 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 123.978 0.911 . . . . 0.0 112.904 -179.496 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' H' H ' 3' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -164.77 164.21 21.18 Favored 'General case' 0 C--O 1.236 0.35 0 O-C-N 122.414 -0.178 . . . . 0.0 110.651 -178.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 4' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -51.29 -29.69 15.64 Favored 'General case' 0 N--CA 1.462 0.139 0 C-N-CA 123.283 0.633 . . . . 0.0 110.89 178.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 5' ' ' HIS . . . . . 0.422 ' HE2' HD12 ' F' ' 17' ' ' LEU . 71.1 t60 -54.05 -20.31 6.23 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.575 179.663 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' H' H ' 6' ' ' LEU . . . . . 0.451 HD23 ' H4 ' ' K' ' 22' ' ' IPH . 22.7 mt -114.63 -40.4 3.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.556 178.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' H' H ' 7' ' ' CYS . . . . . . . . . . . . . 46.6 t -66.15 -44.35 84.39 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.741 0.305 . . . . 0.0 111.417 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.27 -35.84 92.18 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 121.048 -0.596 . . . . 0.0 113.046 -179.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 9' ' ' SER . . . . . 0.47 ' O ' HG23 ' H' ' 12' ' ' VAL . 1.6 m -60.97 -33.48 73.28 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.797 0.332 . . . . 0.0 111.774 -179.619 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' H' H ' 10' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -88.76 -7.02 57.0 Favored 'General case' 0 CA--C 1.511 -0.549 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -178.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 11' ' ' LEU . . . . . 0.758 HD13 ' HH ' ' H' ' 26' ' ' TYR . 46.5 mt -73.06 -17.97 61.37 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 177.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' H' H ' 12' ' ' VAL . . . . . 0.778 ' HB ' ' CZ ' ' H' ' 24' ' ' PHE . 5.0 m -71.25 -34.82 55.64 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.398 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.7 179.299 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' H' H ' 13' ' ' GLU . . . . . 0.678 ' N ' HG21 ' H' ' 12' ' ' VAL . 30.6 mm-40 -56.2 -42.3 76.95 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-O 121.943 0.878 . . . . 0.0 108.868 179.661 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' H' H ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.13 -50.59 39.06 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 114.408 -1.269 . . . . 0.0 110.896 178.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 15' ' ' LEU . . . . . 0.476 HD22 ' HB3' ' G' ' 16' ' ' LEU . 89.4 mt -57.47 -56.81 17.02 Favored 'General case' 0 C--O 1.225 -0.186 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.24 179.766 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' H' H ' 16' ' ' TYR . . . . . 0.447 ' HB2' ' O ' ' H' ' 12' ' ' VAL . 1.0 OUTLIER -47.24 -43.77 22.17 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 123.768 0.827 . . . . 0.0 111.745 -179.372 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' H' H ' 17' ' ' LEU . . . . . 0.483 HD12 ' HE2' ' F' ' 5' ' ' HIS . 2.5 mm? -63.4 -45.65 90.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.228 179.669 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 58.2 t -70.57 -38.68 74.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.136 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 19' ' ' CYS . . . . . 0.435 ' HB3' ' HB2' ' H' ' 22' ' ' ARG . 69.0 m -64.7 -26.01 68.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.241 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' H' H ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.0 -108.45 2.53 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.521 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 21' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -95.78 -4.57 43.68 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.728 0.299 . . . . 0.0 110.869 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 22' ' ' ARG . . . . . 0.435 ' HB2' ' HB3' ' H' ' 19' ' ' CYS . 78.5 mtt180 -81.5 167.57 19.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.163 179.16 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' H' H ' 23' ' ' GLY . . . . . 0.437 ' HA3' ' HD2' ' F' ' 28' ' ' PRO . . . -104.44 -153.28 22.59 Favored Glycine 0 N--CA 1.442 -0.963 0 N-CA-C 109.649 -1.381 . . . . 0.0 109.649 177.315 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' H' H ' 24' ' ' PHE . . . . . 0.778 ' CZ ' ' HB ' ' H' ' 12' ' ' VAL . 2.9 p90 -165.78 141.34 4.98 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 121.692 0.758 . . . . 0.0 111.624 178.751 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' H' H ' 25' ' ' PHE . . . . . 0.622 ' HA ' ' HA ' ' F' ' 25' ' ' PHE . 2.3 p90 -99.36 90.46 4.55 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 178.063 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' H' H ' 26' ' ' TYR . . . . . 0.758 ' HH ' HD13 ' H' ' 11' ' ' LEU . 8.1 t80 -82.38 92.54 7.02 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.517 -178.05 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' H' H ' 27' ' ' THR . . . . . . . . . . . . . 19.0 p -110.9 95.1 22.48 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.615 179.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 28' ' ' PRO . . . . . 0.417 ' HD2' ' HA3' ' F' ' 23' ' ' GLY . 76.6 Cg_endo -78.41 52.18 4.03 Favored 'Trans proline' 0 N--CA 1.464 -0.216 0 C-N-CA 122.795 2.33 . . . . 0.0 112.285 -179.351 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' H' H ' 29' ' ' LYS . . . . . . . . . . . . . 44.5 tttm -153.47 143.52 22.15 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.282 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 30' ' ' THR . . . . . . . . . . . . . 6.4 m . . . . . 0 C--O 1.253 1.247 0 CA-C-O 118.114 -0.946 . . . . 0.0 108.891 178.93 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' I' I ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.998 0 N-CA-C 111.803 -0.519 . . . . 0.0 111.803 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' I' I ' 2' ' ' ILE . . . . . . . . . . . . . 10.9 tt -61.49 -38.24 79.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.886 0.374 . . . . 0.0 111.935 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 3' ' ' VAL . . . . . . . . . . . . . 46.3 t -66.42 -48.1 81.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.05 0.452 . . . . 0.0 110.468 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 4' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -65.62 -12.76 56.13 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.916 -0.583 . . . . 0.0 112.237 -179.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 5' ' ' GLN . . . . . 0.543 ' HG2' ' SG ' ' I' ' 11' ' ' CYS . 35.0 tt0 -107.03 -37.35 6.34 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -178.273 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' I' I ' 6' ' ' CYS . . . . . 0.602 ' HB3' ' H6 ' ' I' ' 22' ' ' IPH . 81.5 m -98.36 -32.63 11.42 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 -177.465 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' I' I ' 7' ' ' CYS . . . . . 0.433 ' O ' HG11 ' B' ' 2' ' ' VAL . 43.2 t -77.9 -17.32 57.43 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.944 0.402 . . . . 0.0 110.618 -179.624 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' I' I ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.48 -58.67 3.46 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.782 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' I' I ' 9' ' ' SER . . . . . 0.42 ' O ' ' HB ' ' I' ' 10' ' ' ILE . 49.5 m -149.98 30.55 0.71 Allowed 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -179.378 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' I' I ' 10' ' ' ILE . . . . . 0.474 HG21 ' N ' ' I' ' 11' ' ' CYS . 1.7 mp 70.75 141.16 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 CA-C-O 121.631 0.729 . . . . 0.0 112.888 178.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' I' I ' 11' ' ' CYS . . . . . 0.543 ' SG ' ' HG2' ' I' ' 5' ' ' GLN . 98.2 m -102.89 161.2 13.94 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.466 179.064 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' I' I ' 12' ' ' SER . . . . . . . . . . . . . 6.5 m -68.55 159.46 31.83 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.252 178.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 13' ' ' LEU . . . . . 0.42 ' C ' HD21 ' I' ' 13' ' ' LEU . 7.1 tt -60.45 -55.97 27.08 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.841 0.353 . . . . 0.0 110.699 -179.656 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 12.2 p90 -64.89 -19.95 66.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.912 0.387 . . . . 0.0 110.935 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -70.87 -37.38 73.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.998 179.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 16' ' ' LEU . . . . . 0.484 ' HB3' HD22 ' J' ' 15' ' ' LEU . 91.9 mt -69.78 -28.01 65.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.183 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' I' I ' 17' ' ' GLU . . . . . . . . . . . . . 75.0 tt0 -66.59 -17.58 64.9 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.027 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 18' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -74.5 -5.01 40.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.129 0.49 . . . . 0.0 110.501 179.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 19' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -111.03 -103.62 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 178.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 20' ' ' CYS . . . . . . . . . . . . . 40.1 m 52.75 -126.35 2.43 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 178.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.246 0.917 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 -179.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 1' ' ' PHE . . . . . 0.466 ' O ' HG21 ' J' ' 2' ' ' VAL . 50.0 t80 . . . . . 0 N--CA 1.48 1.044 0 CA-C-O 120.27 0.081 . . . . 0.0 111.071 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 2' ' ' VAL . . . . . 0.466 HG21 ' O ' ' J' ' 1' ' ' PHE . 19.7 m 40.21 -125.72 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 123.969 0.908 . . . . 0.0 112.552 -179.399 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' J' J ' 3' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -164.53 164.1 21.83 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 110.53 -0.174 . . . . 0.0 110.53 -178.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 4' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -50.47 -30.35 12.49 Favored 'General case' 0 N--CA 1.463 0.201 0 C-N-CA 123.464 0.706 . . . . 0.0 110.824 178.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 5' ' ' HIS . . . . . 0.488 ' HE2' HD12 ' L' ' 17' ' ' LEU . 71.2 t60 -53.75 -20.55 5.73 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.424 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' J' J ' 6' ' ' LEU . . . . . 0.44 HD23 ' H4 ' ' E' ' 22' ' ' IPH . 22.9 mt -114.44 -40.52 3.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.684 178.725 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' J' J ' 7' ' ' CYS . . . . . . . . . . . . . 42.5 t -66.15 -43.77 86.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.614 -0.267 . . . . 0.0 111.571 -179.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.92 -35.53 92.16 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.978 -0.63 . . . . 0.0 112.946 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 9' ' ' SER . . . . . 0.488 ' O ' HG23 ' J' ' 12' ' ' VAL . 1.7 m -61.03 -33.93 74.05 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.768 0.318 . . . . 0.0 111.676 -179.462 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' J' J ' 10' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -88.14 -7.06 57.48 Favored 'General case' 0 CA--C 1.511 -0.556 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -178.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 11' ' ' LEU . . . . . 0.776 HD13 ' HH ' ' J' ' 26' ' ' TYR . 46.2 mt -72.93 -18.16 61.42 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 177.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' J' J ' 12' ' ' VAL . . . . . 0.771 ' HB ' ' CZ ' ' J' ' 24' ' ' PHE . 4.9 m -70.99 -35.34 58.94 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.492 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.794 179.145 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' J' J ' 13' ' ' GLU . . . . . 0.68 ' N ' HG21 ' J' ' 12' ' ' VAL . 29.8 mm-40 -55.68 -42.47 75.18 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' J' J ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.96 -50.73 38.91 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.403 -1.271 . . . . 0.0 110.958 178.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 15' ' ' LEU . . . . . 0.484 HD22 ' HB3' ' I' ' 16' ' ' LEU . 91.1 mt -57.55 -56.54 20.6 Favored 'General case' 0 C--O 1.224 -0.27 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.267 179.705 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' J' J ' 16' ' ' TYR . . . . . 0.436 ' HB2' ' O ' ' J' ' 12' ' ' VAL . 1.1 t80 -47.1 -44.22 21.1 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 123.738 0.815 . . . . 0.0 111.729 -179.444 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' J' J ' 17' ' ' LEU . . . . . 0.476 HD12 ' HE2' ' L' ' 5' ' ' HIS . 2.6 mm? -63.52 -44.89 92.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.249 179.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 57.8 t -71.68 -37.19 62.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.873 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 19' ' ' CYS . . . . . 0.428 ' HB3' ' HB2' ' J' ' 22' ' ' ARG . 76.4 m -66.09 -25.86 67.21 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.281 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' J' J ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.87 -108.99 2.66 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 121.002 -0.618 . . . . 0.0 112.374 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 21' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -95.42 -3.61 46.68 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.849 0.357 . . . . 0.0 110.894 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 22' ' ' ARG . . . . . 0.428 ' HB2' ' HB3' ' J' ' 19' ' ' CYS . 77.8 mtt180 -82.16 167.78 18.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.129 0.49 . . . . 0.0 109.976 179.06 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' J' J ' 23' ' ' GLY . . . . . 0.413 ' HA3' ' HD2' ' L' ' 28' ' ' PRO . . . -104.07 -153.05 22.92 Favored Glycine 0 N--CA 1.44 -1.056 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 177.015 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' J' J ' 24' ' ' PHE . . . . . 0.771 ' CZ ' ' HB ' ' J' ' 12' ' ' VAL . 2.9 p90 -166.15 141.04 4.56 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.593 0.711 . . . . 0.0 111.503 178.742 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' J' J ' 25' ' ' PHE . . . . . 0.607 ' HA ' ' HA ' ' L' ' 25' ' ' PHE . 2.8 p90 -99.14 90.21 4.51 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 178.128 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' J' J ' 26' ' ' TYR . . . . . 0.776 ' HH ' HD13 ' J' ' 11' ' ' LEU . 8.0 t80 -82.34 92.6 7.01 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.564 -178.107 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' J' J ' 27' ' ' THR . . . . . . . . . . . . . 16.7 p -110.9 93.99 18.95 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.744 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 28' ' ' PRO . . . . . 0.446 ' HD2' ' HA3' ' L' ' 23' ' ' GLY . 82.4 Cg_endo -77.76 52.71 4.08 Favored 'Trans proline' 0 C--O 1.235 0.365 0 C-N-CA 122.758 2.306 . . . . 0.0 112.296 -179.37 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' J' J ' 29' ' ' LYS . . . . . . . . . . . . . 43.9 tttm -154.09 142.58 20.7 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.509 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 30' ' ' THR . . . . . . . . . . . . . 14.2 m . . . . . 0 C--O 1.253 1.27 0 CA-C-O 118.126 -0.94 . . . . 0.0 109.358 179.33 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.582 0 N-CA-C 112.615 -0.194 . . . . 0.0 112.615 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' K' K ' 2' ' ' ILE . . . . . . . . . . . . . 11.0 tt -60.69 -38.54 78.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.729 0.299 . . . . 0.0 111.607 -178.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' K' K ' 3' ' ' VAL . . . . . . . . . . . . . 46.3 t -66.06 -47.71 84.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.02 0.438 . . . . 0.0 110.836 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' K' K ' 4' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -65.93 -13.35 59.58 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.758 -0.655 . . . . 0.0 112.1 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' K' K ' 5' ' ' GLN . . . . . 0.551 ' HG2' ' SG ' ' K' ' 11' ' ' CYS . 34.3 tt0 -106.33 -37.95 6.38 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -178.412 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' K' K ' 6' ' ' CYS . . . . . 0.603 ' HB3' ' H6 ' ' K' ' 22' ' ' IPH . 83.5 m -97.71 -33.24 11.37 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 113.42 0.896 . . . . 0.0 113.42 -177.421 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' K' K ' 7' ' ' CYS . . . . . 0.438 ' O ' HG11 ' H' ' 2' ' ' VAL . 43.2 t -77.09 -18.01 58.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 121.984 -0.447 . . . . 0.0 110.614 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' K' K ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -69.32 -58.89 3.43 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' K' K ' 9' ' ' SER . . . . . 0.403 ' O ' ' HB ' ' K' ' 10' ' ' ILE . 50.1 m -150.32 31.74 0.66 Allowed 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -179.364 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' K' K ' 10' ' ' ILE . . . . . 0.468 HG21 ' N ' ' K' ' 11' ' ' CYS . 1.7 mp 70.51 143.17 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 CA-C-O 121.582 0.706 . . . . 0.0 112.821 178.579 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' K' K ' 11' ' ' CYS . . . . . 0.551 ' SG ' ' HG2' ' K' ' 5' ' ' GLN . 95.9 m -104.82 162.41 13.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.917 179.269 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' K' K ' 12' ' ' SER . . . . . . . . . . . . . 6.5 m -70.35 159.26 34.46 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.234 179.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' K' K ' 13' ' ' LEU . . . . . 0.429 ' C ' HD21 ' K' ' 13' ' ' LEU . 7.0 tt -60.01 -55.13 37.74 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.676 0.274 . . . . 0.0 110.867 -179.418 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 11.3 p90 -65.88 -19.02 65.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.97 0.415 . . . . 0.0 111.153 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -71.74 -36.55 70.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.164 0.506 . . . . 0.0 109.91 179.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' K' K ' 16' ' ' LEU . . . . . 0.476 ' HB3' HD22 ' L' ' 15' ' ' LEU . 92.7 mt -70.18 -28.36 65.26 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.119 179.753 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' K' K ' 17' ' ' GLU . . . . . . . . . . . . . 76.4 tt0 -66.15 -18.38 65.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.173 -179.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' K' K ' 18' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -73.95 -5.89 43.99 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.15 0.5 . . . . 0.0 110.71 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' K' K ' 19' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -109.72 -102.73 0.38 Allowed 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 178.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' K' K ' 20' ' ' CYS . . . . . . . . . . . . . 36.3 m 51.9 -126.35 2.39 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 178.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' K' K ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.246 0.893 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 -179.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' L' L ' 1' ' ' PHE . . . . . 0.471 ' O ' HG21 ' L' ' 2' ' ' VAL . 50.3 t80 . . . . . 0 N--CA 1.481 1.083 0 N-CA-C 111.254 0.094 . . . . 0.0 111.254 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' L' L ' 2' ' ' VAL . . . . . 0.471 HG21 ' O ' ' L' ' 1' ' ' PHE . 20.2 m 40.97 -126.29 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 124.089 0.956 . . . . 0.0 112.595 -179.222 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' L' L ' 3' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -163.98 164.64 23.09 Favored 'General case' 0 C--O 1.237 0.396 0 O-C-N 122.269 -0.269 . . . . 0.0 110.671 -178.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' L' L ' 4' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -51.33 -29.71 16.08 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 123.312 0.645 . . . . 0.0 110.955 178.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' L' L ' 5' ' ' HIS . . . . . 0.476 ' HE2' HD12 ' J' ' 17' ' ' LEU . 70.9 t60 -54.3 -20.18 6.68 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.448 179.653 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' L' L ' 6' ' ' LEU . . . . . 0.447 HD23 ' H4 ' ' C' ' 22' ' ' IPH . 22.9 mt -114.63 -40.39 3.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.618 178.785 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' L' L ' 7' ' ' CYS . . . . . . . . . . . . . 43.5 t -66.42 -44.14 83.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.594 -179.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' L' L ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.47 -35.67 92.06 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 121.026 -0.607 . . . . 0.0 113.02 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' L' L ' 9' ' ' SER . . . . . 0.486 ' O ' HG23 ' L' ' 12' ' ' VAL . 1.6 m -61.01 -33.24 72.95 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.887 0.375 . . . . 0.0 111.834 -179.577 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' L' L ' 10' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -88.57 -7.59 56.18 Favored 'General case' 0 CA--C 1.51 -0.566 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -178.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' L' L ' 11' ' ' LEU . . . . . 0.764 HD13 ' HH ' ' L' ' 26' ' ' TYR . 45.4 mt -72.85 -17.84 61.5 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 177.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' L' L ' 12' ' ' VAL . . . . . 0.789 ' HB ' ' CZ ' ' L' ' 24' ' ' PHE . 5.0 m -71.34 -34.94 55.58 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.585 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.637 179.135 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' L' L ' 13' ' ' GLU . . . . . 0.682 ' N ' HG21 ' L' ' 12' ' ' VAL . 30.5 mm-40 -55.98 -42.77 76.81 Favored 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 179.661 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' L' L ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.48 -50.72 42.71 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.444 -1.253 . . . . 0.0 110.849 178.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' L' L ' 15' ' ' LEU . . . . . 0.476 HD22 ' HB3' ' K' ' 16' ' ' LEU . 90.4 mt -57.72 -56.65 19.22 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.294 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' L' L ' 16' ' ' TYR . . . . . 0.43 ' HB2' ' O ' ' L' ' 12' ' ' VAL . 1.0 OUTLIER -47.32 -43.16 22.44 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.667 -179.476 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' L' L ' 17' ' ' LEU . . . . . 0.488 HD12 ' HE2' ' J' ' 5' ' ' HIS . 2.5 mm? -63.93 -45.65 88.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.249 179.745 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 57.6 t -70.7 -38.03 71.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.187 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' L' L ' 19' ' ' CYS . . . . . 0.429 ' HB3' ' HB2' ' L' ' 22' ' ' ARG . 81.3 m -64.83 -27.32 68.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.227 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' L' L ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.37 -108.82 2.64 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.301 179.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' L' L ' 21' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -96.2 -3.22 44.71 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.987 0.422 . . . . 0.0 110.839 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' L' L ' 22' ' ' ARG . . . . . 0.429 ' HB2' ' HB3' ' L' ' 19' ' ' CYS . 78.3 mtt180 -82.32 167.14 18.87 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.088 178.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' L' L ' 23' ' ' GLY . . . . . 0.446 ' HA3' ' HD2' ' J' ' 28' ' ' PRO . . . -103.79 -153.43 23.38 Favored Glycine 0 N--CA 1.441 -0.969 0 N-CA-C 109.718 -1.353 . . . . 0.0 109.718 177.053 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' L' L ' 24' ' ' PHE . . . . . 0.789 ' CZ ' ' HB ' ' L' ' 12' ' ' VAL . 2.9 p90 -165.78 141.52 5.04 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.696 0.76 . . . . 0.0 111.683 178.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' L' L ' 25' ' ' PHE . . . . . 0.607 ' HA ' ' HA ' ' J' ' 25' ' ' PHE . 2.6 p90 -99.36 90.42 4.53 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 177.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' L' L ' 26' ' ' TYR . . . . . 0.764 ' HH ' HD13 ' L' ' 11' ' ' LEU . 8.4 t80 -82.43 92.45 7.03 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.584 -178.124 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' L' L ' 27' ' ' THR . . . . . . . . . . . . . 18.1 p -110.73 94.98 21.41 Favored Pre-proline 0 C--N 1.32 -0.679 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.435 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' L' L ' 28' ' ' PRO . . . . . 0.413 ' HD2' ' HA3' ' J' ' 23' ' ' GLY . 71.7 Cg_endo -77.99 50.14 3.2 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.831 2.354 . . . . 0.0 112.389 -179.167 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' L' L ' 29' ' ' LYS . . . . . . . . . . . . . 45.5 tttm -151.51 142.34 22.9 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.64 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' L' L ' 30' ' ' THR . . . . . . . . . . . . . 8.9 m . . . . . 0 C--O 1.253 1.279 0 CA-C-O 118.222 -0.894 . . . . 0.0 109.071 179.06 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' IPH . . . . . 0.611 ' H6 ' ' HB3' ' A' ' 6' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 22' ' ' IPH . . . . . 0.589 ' H6 ' ' HB3' ' C' ' 6' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 22' ' ' IPH . . . . . 0.592 ' H6 ' ' HB3' ' E' ' 6' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 22' ' ' IPH . . . . . 0.61 ' H6 ' ' HB3' ' G' ' 6' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 22' ' ' IPH . . . . . 0.602 ' H6 ' ' HB3' ' I' ' 6' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' K' K ' 22' ' ' IPH . . . . . 0.603 ' H6 ' ' HB3' ' K' ' 6' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.521 0 N-CA-C 111.674 -0.57 . . . . 0.0 111.674 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.1 tt -160.66 -45.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 O-C-N 122.609 -0.347 . . . . 0.0 111.105 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.673 HG23 ' HA ' ' B' ' 28' ' ' PRO . 21.1 t -51.91 -49.22 38.28 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.482 -179.103 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.666 ' HB2' HE21 ' B' ' 4' ' ' GLN . 31.3 tt0 -99.06 -45.76 5.82 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 120.549 -0.46 . . . . 0.0 109.97 179.298 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -44.85 -52.18 8.81 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.948 0.721 . . . . 0.0 112.948 -179.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.527 ' O ' ' HA ' ' A' ' 10' ' ' ILE . 81.6 m -81.26 -14.85 56.99 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -178.101 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.0 t -98.03 -22.7 16.12 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 120.253 -0.579 . . . . 0.0 111.326 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.847 HG21 ' H ' ' A' ' 9' ' ' SER . 11.1 t -80.27 -66.84 0.83 Allowed 'General case' 0 CA--C 1.535 0.379 0 O-C-N 121.725 -0.609 . . . . 0.0 111.343 -179.151 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.847 ' H ' HG21 ' A' ' 8' ' ' THR . 29.6 m -105.53 -4.98 20.61 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 117.713 0.233 . . . . 0.0 111.145 -179.545 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.807 HD12 ' HB3' ' F' ' 5' ' ' HIS . 34.6 mt 77.03 138.09 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 CA-C-O 121.505 0.669 . . . . 0.0 112.334 179.153 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.694 ' HB2' HD22 ' A' ' 16' ' ' LEU . 77.5 m -101.08 141.29 34.18 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.038 179.202 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.1 m -71.55 165.82 23.09 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 178.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.5 tt -54.38 -46.38 73.05 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.685 0.278 . . . . 0.0 110.762 -179.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 13.6 m-30 -63.43 -31.95 73.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.776 0.322 . . . . 0.0 111.222 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -71.37 -39.15 71.41 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.141 179.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.694 HD22 ' HB2' ' A' ' 11' ' ' CYS . 96.1 mt -64.42 -32.06 73.52 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.265 179.691 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -62.35 -19.44 63.35 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.817 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -74.9 -12.9 60.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.787 0.327 . . . . 0.0 110.941 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -120.05 30.15 7.15 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.468 0.652 . . . . 0.0 110.124 -179.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.7 t -102.91 177.21 4.91 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.321 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.251 1.18 0 CA-C-O 118.437 -0.792 . . . . 0.0 110.18 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . 0.43 ' N ' ' HA ' ' I' ' 8' ' ' THR . 17.3 p90 . . . . . 0 N--CA 1.481 1.107 0 N-CA-C 111.562 0.208 . . . . 0.0 111.562 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . 0.565 HG22 ' HA ' ' I' ' 9' ' ' SER . 21.6 t -78.23 74.63 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.095 0 CA-C-O 121.657 0.742 . . . . 0.0 109.566 179.541 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . 0.783 ' HB3' ' HB3' ' B' ' 7' ' ' CYS . 77.1 m-20 -76.46 0.26 20.43 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.683 -178.69 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . 0.666 HE21 ' HB2' ' A' ' 4' ' ' GLU . 81.9 mt-30 -66.52 -36.01 81.66 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.16 0.505 . . . . 0.0 110.415 179.403 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . 0.821 ' HB3' HD12 ' I' ' 10' ' ' ILE . 72.9 t60 -97.87 -7.82 29.52 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.754 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.562 ' HB2' ' HA ' ' B' ' 3' ' ' ASN . 77.0 mt -101.34 -76.42 0.57 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.887 179.405 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . 0.783 ' HB3' ' HB3' ' B' ' 3' ' ' ASN . 0.0 OUTLIER -64.42 -33.58 76.2 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.292 178.764 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . 0.728 ' HA2' ' HG ' ' B' ' 11' ' ' LEU . . . -55.78 -30.99 57.64 Favored Glycine 0 C--N 1.336 0.55 0 C-N-CA 121.167 -0.54 . . . . 0.0 112.269 178.719 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' SER . . . . . 0.512 ' HB3' ' HG3' ' D' ' 13' ' ' GLU . 13.4 m -69.34 -7.18 34.97 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.002 0.43 . . . . 0.0 111.102 179.241 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 -114.22 -8.07 12.96 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.784 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.757 ' HA ' ' H5 ' ' A' ' 22' ' ' IPH . 70.2 mt -66.42 -33.86 76.66 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 177.352 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.709 HG22 HG22 ' D' ' 12' ' ' VAL . 2.9 m -67.61 -31.68 53.57 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.413 0 CA-C-N 114.602 -1.181 . . . . 0.0 110.791 178.176 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.524 ' HG3' ' HB3' ' D' ' 9' ' ' SER . 41.2 tt0 -62.49 -39.24 92.84 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 179.556 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.66 -46.61 62.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.937 178.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.513 HD22 ' HB3' ' A' ' 16' ' ' LEU . 60.0 mt -58.03 -42.01 84.44 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.627 0.727 . . . . 0.0 109.895 178.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . 0.532 ' HB2' ' O ' ' B' ' 12' ' ' VAL . 1.5 t80 -53.73 -45.46 70.51 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.37 -1.286 . . . . 0.0 110.916 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.409 ' N ' HD21 ' B' ' 17' ' ' LEU . 3.9 mm? -68.43 -45.27 72.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.139 179.635 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 65.6 t -64.0 -45.2 97.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.36 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 81.0 m -73.61 -19.35 60.89 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.115 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.09 -107.92 2.25 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.819 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -112.15 13.08 20.54 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.993 0.425 . . . . 0.0 111.116 -179.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 65.9 mtp180 -77.08 -73.43 0.29 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.321 0.581 . . . . 0.0 109.848 178.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . 0.465 ' CA ' ' HD2' ' D' ' 28' ' ' PRO . . . 138.56 -176.77 20.62 Favored Glycine 0 N--CA 1.446 -0.655 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.583 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . 0.449 ' CZ ' ' HB ' ' B' ' 12' ' ' VAL . 2.3 p90 -160.68 171.14 19.42 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.014 0.435 . . . . 0.0 110.647 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -129.43 135.83 49.16 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 178.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.453 ' OH ' ' HA ' ' A' ' 3' ' ' VAL . 3.2 t80 -140.15 107.36 5.49 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.186 -0.606 . . . . 0.0 111.458 -178.078 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' THR . . . . . 0.586 ' HB ' ' HG2' ' B' ' 29' ' ' LYS . 15.5 p -127.53 101.42 24.31 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.307 179.406 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . 0.673 ' HA ' HG23 ' A' ' 3' ' ' VAL . 47.0 Cg_endo -70.46 -2.73 11.15 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.836 2.357 . . . . 0.0 112.529 -179.553 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.586 ' HG2' ' HB ' ' B' ' 27' ' ' THR . 0.0 OUTLIER -67.29 167.86 11.59 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 121.297 0.57 . . . . 0.0 111.078 179.535 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 14.4 m . . . . . 0 C--O 1.245 0.821 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 178.668 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.485 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 7.4 tt -163.12 -46.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 117.024 0.412 . . . . 0.0 110.989 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 3' ' ' VAL . . . . . 0.701 HG23 ' HA ' ' D' ' 28' ' ' PRO . 18.0 t -50.6 -49.43 25.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.777 -179.664 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 4' ' ' GLU . . . . . 0.669 ' HB2' HE21 ' D' ' 4' ' ' GLN . 33.7 tt0 -99.67 -45.05 5.9 Favored 'General case' 0 N--CA 1.443 -0.784 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.066 179.296 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -45.71 -50.58 13.54 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.098 0.777 . . . . 0.0 113.098 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 6' ' ' CYS . . . . . 0.55 ' O ' ' HA ' ' C' ' 10' ' ' ILE . 83.9 m -82.62 -15.22 52.95 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 -178.043 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 7' ' ' CYS . . . . . . . . . . . . . 46.6 t -97.21 -23.8 16.01 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.27 -0.572 . . . . 0.0 111.421 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 8' ' ' THR . . . . . 0.843 HG21 ' H ' ' C' ' 9' ' ' SER . 11.6 t -79.61 -66.78 0.83 Allowed 'General case' 0 CA--C 1.536 0.418 0 O-C-N 121.79 -0.569 . . . . 0.0 111.651 -179.032 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 9' ' ' SER . . . . . 0.843 ' H ' HG21 ' C' ' 8' ' ' THR . 20.1 m -106.03 -3.42 21.63 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 117.817 0.28 . . . . 0.0 111.137 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . 0.793 HD12 ' HB3' ' L' ' 5' ' ' HIS . 35.2 mt 76.27 140.24 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 CA-C-N 115.691 -0.686 . . . . 0.0 112.179 179.018 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 11' ' ' CYS . . . . . 0.689 ' HB2' HD22 ' C' ' 16' ' ' LEU . 84.2 m -102.96 141.86 35.05 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.594 179.281 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 17.2 m -71.69 167.3 20.15 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 178.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 7.6 tt -55.56 -47.43 76.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.615 0.245 . . . . 0.0 110.638 -179.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 13.8 m-30 -62.31 -31.88 72.54 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.432 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -70.85 -40.09 72.56 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.285 178.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 16' ' ' LEU . . . . . 0.689 HD22 ' HB2' ' C' ' 11' ' ' CYS . 95.4 mt -63.57 -32.49 73.97 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.301 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -61.94 -19.8 63.13 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.819 0.342 . . . . 0.0 111.577 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -75.18 -11.39 60.07 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.935 0.398 . . . . 0.0 110.938 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -121.21 29.25 7.39 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.594 0.711 . . . . 0.0 109.915 -179.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 47.7 t -102.13 177.69 4.82 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.305 -179.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.25 1.129 0 CA-C-O 118.315 -0.85 . . . . 0.0 110.283 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 1' ' ' PHE . . . . . 0.436 ' N ' ' HA ' ' G' ' 8' ' ' THR . 18.4 p90 . . . . . 0 N--CA 1.48 1.049 0 N-CA-C 111.493 0.183 . . . . 0.0 111.493 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 2' ' ' VAL . . . . . 0.566 HG22 ' HA ' ' G' ' 9' ' ' SER . 21.5 t -78.8 75.52 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.138 0 CA-C-O 121.485 0.659 . . . . 0.0 109.406 179.393 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 3' ' ' ASN . . . . . 0.755 ' HB3' ' HB3' ' D' ' 7' ' ' CYS . 79.1 m-20 -77.59 0.41 23.21 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.633 -178.521 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 4' ' ' GLN . . . . . 0.669 HE21 ' HB2' ' C' ' 4' ' ' GLU . 82.5 mt-30 -66.62 -36.03 81.61 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.318 0.58 . . . . 0.0 110.536 179.401 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 5' ' ' HIS . . . . . 0.809 ' HB3' HD12 ' G' ' 10' ' ' ILE . 72.4 t60 -97.72 -7.5 30.67 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.847 179.727 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 6' ' ' LEU . . . . . 0.566 ' HB2' ' HA ' ' D' ' 3' ' ' ASN . 80.5 mt -101.64 -76.65 0.56 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.34 -0.846 . . . . 0.0 109.868 179.323 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 7' ' ' CYS . . . . . 0.755 ' HB3' ' HB3' ' D' ' 3' ' ' ASN . 0.0 OUTLIER -64.32 -33.34 75.6 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.226 178.729 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' D' D ' 8' ' ' GLY . . . . . 0.744 ' HA2' ' HG ' ' D' ' 11' ' ' LEU . . . -56.1 -30.76 58.14 Favored Glycine 0 C--N 1.335 0.492 0 C-N-CA 121.11 -0.566 . . . . 0.0 112.268 178.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 9' ' ' SER . . . . . 0.524 ' HB3' ' HG3' ' B' ' 13' ' ' GLU . 11.4 m -69.61 -7.36 38.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.949 0.404 . . . . 0.0 111.034 179.254 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 10' ' ' HIS . . . . . . . . . . . . . 85.9 m-70 -113.93 -8.17 13.12 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.717 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 11' ' ' LEU . . . . . 0.775 ' HA ' ' H5 ' ' C' ' 22' ' ' IPH . 70.6 mt -66.17 -34.27 77.66 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 177.336 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . 0.709 HG22 HG22 ' B' ' 12' ' ' VAL . 3.1 m -67.43 -31.84 54.6 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.423 0 CA-C-N 114.692 -1.14 . . . . 0.0 110.812 178.387 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 13' ' ' GLU . . . . . 0.512 ' HG3' ' HB3' ' B' ' 9' ' ' SER . 41.1 tt0 -62.42 -38.88 91.41 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.366 0.603 . . . . 0.0 109.387 179.642 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.03 -46.16 62.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.08 178.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 15' ' ' LEU . . . . . 0.487 HD22 ' HB3' ' C' ' 16' ' ' LEU . 66.0 mt -58.42 -41.93 86.1 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 121.497 0.665 . . . . 0.0 109.838 178.764 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 16' ' ' TYR . . . . . 0.535 ' HB2' ' O ' ' D' ' 12' ' ' VAL . 1.5 t80 -53.88 -45.44 71.06 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.538 -1.21 . . . . 0.0 110.896 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . 0.418 ' N ' HD21 ' D' ' 17' ' ' LEU . 3.9 mm? -68.64 -45.29 72.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.926 179.614 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 71.6 t -63.96 -45.27 97.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.133 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 19' ' ' CYS . . . . . . . . . . . . . 85.0 m -73.44 -19.5 60.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.291 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.61 -110.04 3.24 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.998 -0.62 . . . . 0.0 112.549 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -108.93 10.9 26.27 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.816 0.341 . . . . 0.0 111.339 -179.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 22' ' ' ARG . . . . . . . . . . . . . 66.9 mtp180 -74.77 -73.11 0.25 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.233 0.539 . . . . 0.0 110.296 179.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 23' ' ' GLY . . . . . 0.485 ' CA ' ' HD2' ' B' ' 28' ' ' PRO . . . 138.23 -176.58 20.66 Favored Glycine 0 N--CA 1.446 -0.663 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.578 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 24' ' ' PHE . . . . . 0.455 ' CZ ' ' HB ' ' D' ' 12' ' ' VAL . 2.3 p90 -161.07 170.99 19.38 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.127 0.489 . . . . 0.0 110.817 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 25' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -129.15 136.73 50.57 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 177.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 26' ' ' TYR . . . . . 0.468 ' OH ' ' HA ' ' C' ' 3' ' ' VAL . 3.2 t80 -141.16 106.57 5.04 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.147 -0.621 . . . . 0.0 111.279 -178.132 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 27' ' ' THR . . . . . 0.585 ' HB ' ' HG2' ' D' ' 29' ' ' LYS . 12.1 p -127.34 101.56 24.75 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.024 179.324 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 28' ' ' PRO . . . . . 0.701 ' HA ' HG23 ' C' ' 3' ' ' VAL . 44.9 Cg_endo -70.22 -2.94 11.33 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 123.059 2.506 . . . . 0.0 112.596 -179.515 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 29' ' ' LYS . . . . . 0.585 ' HG2' ' HB ' ' D' ' 27' ' ' THR . 0.0 OUTLIER -67.03 168.44 10.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.093 179.73 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 15.1 m . . . . . 0 C--O 1.245 0.854 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 178.799 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.631 0 N-CA-C 111.871 -0.492 . . . . 0.0 111.871 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' E' E ' 2' ' ' ILE . . . . . . . . . . . . . 7.0 tt -160.8 -45.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.315 -0.919 0 O-C-N 122.431 -0.452 . . . . 0.0 110.945 179.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 3' ' ' VAL . . . . . 0.693 HG23 ' HA ' ' F' ' 28' ' ' PRO . 21.0 t -51.69 -48.82 36.88 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.684 -179.185 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 4' ' ' GLU . . . . . 0.667 ' HB2' HE21 ' F' ' 4' ' ' GLN . 34.0 tt0 -99.63 -45.1 5.89 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.339 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -45.85 -50.73 13.97 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 -179.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 6' ' ' CYS . . . . . 0.541 ' O ' ' HA ' ' E' ' 10' ' ' ILE . 84.6 m -82.92 -14.94 53.2 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 -177.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 7' ' ' CYS . . . . . . . . . . . . . 47.3 t -97.08 -23.6 16.17 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.262 -0.575 . . . . 0.0 111.332 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 8' ' ' THR . . . . . 0.847 HG21 ' H ' ' E' ' 9' ' ' SER . 9.3 t -79.56 -67.89 0.72 Allowed 'General case' 0 C--O 1.235 0.333 0 O-C-N 121.663 -0.648 . . . . 0.0 111.545 -179.356 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 9' ' ' SER . . . . . 0.847 ' H ' HG21 ' E' ' 8' ' ' THR . 23.9 m -104.38 -4.88 22.28 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 117.656 0.207 . . . . 0.0 111.186 -179.435 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 10' ' ' ILE . . . . . 0.795 HD12 ' HB3' ' J' ' 5' ' ' HIS . 35.8 mt 76.8 138.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.286 0 CA-C-O 121.555 0.693 . . . . 0.0 112.326 179.362 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 11' ' ' CYS . . . . . 0.701 ' HB2' HD22 ' E' ' 16' ' ' LEU . 79.8 m -101.53 141.58 34.19 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.976 179.262 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 12' ' ' SER . . . . . . . . . . . . . 12.2 m -71.06 167.37 19.39 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 178.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 7.7 tt -56.43 -46.36 80.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.577 0.227 . . . . 0.0 110.44 -179.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 13.4 m-30 -63.06 -32.12 73.41 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.88 0.371 . . . . 0.0 111.315 179.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -70.73 -40.41 72.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.96 0.409 . . . . 0.0 110.213 179.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 16' ' ' LEU . . . . . 0.701 HD22 ' HB2' ' E' ' 11' ' ' CYS . 95.7 mt -63.04 -33.01 74.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.362 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 17' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -61.29 -21.37 63.88 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.624 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 18' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -73.52 -12.91 60.93 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.738 0.304 . . . . 0.0 110.836 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 19' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -119.62 29.5 7.56 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.546 0.688 . . . . 0.0 110.069 -179.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 20' ' ' CYS . . . . . . . . . . . . . 43.7 t -102.5 175.55 5.47 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.068 -0.969 . . . . 0.0 110.489 -179.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 21' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.525 -0.75 . . . . 0.0 110.696 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 1' ' ' PHE . . . . . 0.439 ' N ' ' HA ' ' A' ' 8' ' ' THR . 17.5 p90 . . . . . 0 N--CA 1.483 1.195 0 N-CA-C 111.665 0.246 . . . . 0.0 111.665 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 2' ' ' VAL . . . . . 0.536 HG22 ' HA ' ' A' ' 9' ' ' SER . 21.6 t -78.3 76.27 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.135 0 CA-C-O 121.545 0.688 . . . . 0.0 109.454 179.35 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' F' F ' 3' ' ' ASN . . . . . 0.749 ' HB3' ' HB3' ' F' ' 7' ' ' CYS . 77.5 m-20 -77.98 -0.65 28.57 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.503 -178.676 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' F' F ' 4' ' ' GLN . . . . . 0.667 HE21 ' HB2' ' E' ' 4' ' ' GLU . 84.3 mt-30 -65.36 -36.08 82.91 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.334 0.588 . . . . 0.0 110.637 179.442 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' F' F ' 5' ' ' HIS . . . . . 0.807 ' HB3' HD12 ' A' ' 10' ' ' ILE . 74.6 t60 -97.68 -8.0 29.7 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.763 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' F' F ' 6' ' ' LEU . . . . . 0.558 ' HB2' ' HA ' ' F' ' 3' ' ' ASN . 77.3 mt -101.35 -76.95 0.55 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.735 179.359 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' F' F ' 7' ' ' CYS . . . . . 0.749 ' HB3' ' HB3' ' F' ' 3' ' ' ASN . 0.0 OUTLIER -63.92 -33.55 75.96 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.388 178.694 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' F' F ' 8' ' ' GLY . . . . . 0.725 ' HA2' ' HG ' ' F' ' 11' ' ' LEU . . . -55.86 -31.04 57.93 Favored Glycine 0 C--N 1.336 0.549 0 C-N-CA 121.175 -0.536 . . . . 0.0 112.216 178.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' F' F ' 9' ' ' SER . . . . . 0.509 ' HB3' ' HG3' ' H' ' 13' ' ' GLU . 14.0 m -69.21 -7.73 39.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.919 0.39 . . . . 0.0 111.095 179.341 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' F' F ' 10' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 -113.54 -8.05 13.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.777 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 11' ' ' LEU . . . . . 0.775 ' HA ' ' H5 ' ' E' ' 22' ' ' IPH . 68.1 mt -66.28 -33.92 76.82 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 107.616 -1.253 . . . . 0.0 107.616 177.506 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' F' F ' 12' ' ' VAL . . . . . 0.68 HG22 HG22 ' H' ' 12' ' ' VAL . 3.1 m -67.59 -32.13 55.6 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.38 0 CA-C-N 114.378 -1.283 . . . . 0.0 110.849 178.213 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' F' F ' 13' ' ' GLU . . . . . 0.519 ' HG3' ' HB3' ' H' ' 9' ' ' SER . 41.0 tt0 -62.16 -39.07 91.42 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 179.585 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' F' F ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.1 -45.59 63.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.258 178.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 15' ' ' LEU . . . . . 0.482 HD22 ' HB3' ' E' ' 16' ' ' LEU . 61.8 mt -58.89 -41.87 88.18 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.647 178.73 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' F' F ' 16' ' ' TYR . . . . . 0.528 ' HB2' ' O ' ' F' ' 12' ' ' VAL . 1.5 t80 -53.58 -46.28 70.25 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.551 -1.204 . . . . 0.0 110.787 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' F' F ' 17' ' ' LEU . . . . . 0.418 ' N ' HD21 ' F' ' 17' ' ' LEU . 3.9 mm? -68.14 -44.84 75.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.154 179.607 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 66.3 t -64.41 -44.38 97.08 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 CA-C-O 121.007 0.432 . . . . 0.0 111.203 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 19' ' ' CYS . . . . . . . . . . . . . 83.3 m -74.46 -19.23 60.46 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.192 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.43 -108.35 2.4 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 121.162 -0.542 . . . . 0.0 112.841 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 21' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -110.55 11.72 22.92 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.903 0.382 . . . . 0.0 111.288 -179.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 22' ' ' ARG . . . . . . . . . . . . . 66.8 mtp180 -76.05 -74.05 0.24 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.216 0.532 . . . . 0.0 110.047 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 23' ' ' GLY . . . . . 0.459 ' CA ' ' HD2' ' H' ' 28' ' ' PRO . . . 139.44 -176.53 21.02 Favored Glycine 0 N--CA 1.446 -0.693 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.626 -179.773 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' F' F ' 24' ' ' PHE . . . . . 0.459 ' CZ ' ' HB ' ' F' ' 12' ' ' VAL . 2.2 p90 -160.86 170.97 19.59 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.131 0.491 . . . . 0.0 110.683 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' F' F ' 25' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -129.56 135.19 48.28 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 178.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 26' ' ' TYR . . . . . 0.447 ' OH ' ' HA ' ' E' ' 3' ' ' VAL . 3.3 t80 -139.59 106.94 5.52 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 120.106 -0.638 . . . . 0.0 111.537 -177.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' F' F ' 27' ' ' THR . . . . . 0.568 ' HB ' ' HG2' ' F' ' 29' ' ' LYS . 16.8 p -127.13 101.16 25.89 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.296 179.288 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' F' F ' 28' ' ' PRO . . . . . 0.693 ' HA ' HG23 ' E' ' 3' ' ' VAL . 50.2 Cg_endo -70.3 -3.97 13.45 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.771 2.314 . . . . 0.0 112.517 -179.508 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' F' F ' 29' ' ' LYS . . . . . 0.568 ' HG2' ' HB ' ' F' ' 27' ' ' THR . 0.0 OUTLIER -65.79 168.5 7.77 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.26 179.424 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' F' F ' 30' ' ' THR . . . . . . . . . . . . . 9.6 m . . . . . 0 C--O 1.247 0.922 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 178.519 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' G' G ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.894 0 N-CA-C 111.478 -0.649 . . . . 0.0 111.478 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' G' G ' 2' ' ' ILE . . . . . . . . . . . . . 7.0 tt -160.37 -45.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 O-C-N 122.757 -0.261 . . . . 0.0 111.032 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 3' ' ' VAL . . . . . 0.683 HG23 ' HA ' ' H' ' 28' ' ' PRO . 20.6 t -52.02 -47.85 41.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 121.083 0.468 . . . . 0.0 111.931 -179.119 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' G' G ' 4' ' ' GLU . . . . . 0.662 ' HB2' HE21 ' H' ' 4' ' ' GLN . 34.6 tt0 -99.85 -46.57 5.34 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 120.591 -0.443 . . . . 0.0 109.835 179.408 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' G' G ' 5' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -44.21 -53.15 6.83 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 6' ' ' CYS . . . . . 0.531 ' O ' ' HA ' ' G' ' 10' ' ' ILE . 81.1 m -80.31 -15.05 57.81 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 -178.045 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' G' G ' 7' ' ' CYS . . . . . . . . . . . . . 49.9 t -98.18 -21.84 16.5 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.357 -0.537 . . . . 0.0 111.56 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 8' ' ' THR . . . . . 0.849 HG21 ' H ' ' G' ' 9' ' ' SER . 8.9 t -81.07 -66.52 0.88 Allowed 'General case' 0 C--N 1.329 -0.322 0 O-C-N 121.897 -0.502 . . . . 0.0 111.498 -179.259 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' G' G ' 9' ' ' SER . . . . . 0.849 ' H ' HG21 ' G' ' 8' ' ' THR . 22.6 m -105.41 -6.59 19.39 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 117.66 0.209 . . . . 0.0 111.372 -179.609 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' G' G ' 10' ' ' ILE . . . . . 0.809 HD12 ' HB3' ' D' ' 5' ' ' HIS . 34.2 mt 78.65 137.3 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 O-C-N 124.187 0.929 . . . . 0.0 112.202 179.292 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' G' G ' 11' ' ' CYS . . . . . 0.688 ' HB2' HD22 ' G' ' 16' ' ' LEU . 82.8 m -100.04 141.68 32.55 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.911 179.227 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' G' G ' 12' ' ' SER . . . . . . . . . . . . . 15.6 m -72.02 166.73 21.64 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 178.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 13' ' ' LEU . . . . . . . . . . . . . 7.5 tt -54.95 -46.73 75.03 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.678 0.275 . . . . 0.0 110.699 -179.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 13.8 m-30 -62.95 -32.0 73.22 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.413 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -70.99 -39.21 72.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.792 0.33 . . . . 0.0 110.215 179.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 16' ' ' LEU . . . . . 0.688 HD22 ' HB2' ' G' ' 11' ' ' CYS . 95.5 mt -64.06 -32.96 74.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.272 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' G' G ' 17' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -61.68 -20.18 63.15 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 111.738 0.273 . . . . 0.0 111.738 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 18' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -74.5 -12.1 60.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.785 0.326 . . . . 0.0 110.776 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 19' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -121.11 31.14 6.5 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.642 0.734 . . . . 0.0 109.8 -179.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 20' ' ' CYS . . . . . . . . . . . . . 46.6 t -104.55 174.6 5.8 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.441 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 21' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.399 -0.81 . . . . 0.0 110.583 179.668 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' H' H ' 1' ' ' PHE . . . . . 0.42 ' N ' ' HA ' ' K' ' 8' ' ' THR . 17.7 p90 . . . . . 0 N--CA 1.48 1.057 0 N-CA-C 111.608 0.225 . . . . 0.0 111.608 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 2' ' ' VAL . . . . . 0.555 HG22 ' HA ' ' K' ' 9' ' ' SER . 21.6 t -78.75 74.36 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.149 0 CA-C-O 121.57 0.7 . . . . 0.0 109.516 179.611 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' H' H ' 3' ' ' ASN . . . . . 0.758 ' HB3' ' HB3' ' H' ' 7' ' ' CYS . 79.8 m-20 -77.18 2.18 16.17 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.654 -178.333 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' H' H ' 4' ' ' GLN . . . . . 0.662 HE21 ' HB2' ' G' ' 4' ' ' GLU . 84.6 mt-30 -68.27 -35.76 78.36 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.14 0.495 . . . . 0.0 110.264 179.458 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' H' H ' 5' ' ' HIS . . . . . 0.818 ' HB3' HD12 ' K' ' 10' ' ' ILE . 73.2 t60 -97.27 -9.09 28.3 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.647 179.736 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' H' H ' 6' ' ' LEU . . . . . 0.555 ' HB2' ' HA ' ' H' ' 3' ' ' ASN . 73.9 mt -100.24 -76.69 0.55 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.146 179.438 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' H' H ' 7' ' ' CYS . . . . . 0.758 ' HB3' ' HB3' ' H' ' 3' ' ' ASN . 0.0 OUTLIER -64.47 -32.77 74.54 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.261 178.884 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' H' H ' 8' ' ' GLY . . . . . 0.716 ' HA2' ' HG ' ' H' ' 11' ' ' LEU . . . -56.38 -31.11 59.42 Favored Glycine 0 C--N 1.334 0.441 0 C-N-CA 121.115 -0.564 . . . . 0.0 112.11 178.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' H' H ' 9' ' ' SER . . . . . 0.519 ' HB3' ' HG3' ' F' ' 13' ' ' GLU . 14.2 m -69.3 -7.27 35.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.857 0.36 . . . . 0.0 111.155 179.441 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' H' H ' 10' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 -114.24 -7.67 12.96 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.663 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 11' ' ' LEU . . . . . 0.766 ' HA ' ' H5 ' ' G' ' 22' ' ' IPH . 69.4 mt -66.79 -33.78 76.38 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 177.333 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' H' H ' 12' ' ' VAL . . . . . 0.68 HG22 HG22 ' F' ' 12' ' ' VAL . 2.9 m -67.75 -31.67 53.31 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.288 0 CA-C-N 114.513 -1.221 . . . . 0.0 110.71 178.241 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' H' H ' 13' ' ' GLU . . . . . 0.509 ' HG3' ' HB3' ' F' ' 9' ' ' SER . 40.9 tt0 -62.59 -38.75 91.34 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 179.634 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' H' H ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.28 -46.42 60.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.934 178.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 15' ' ' LEU . . . . . 0.471 HD22 ' HB3' ' G' ' 16' ' ' LEU . 62.4 mt -58.28 -41.7 84.93 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.592 0.71 . . . . 0.0 109.823 178.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' H' H ' 16' ' ' TYR . . . . . 0.526 ' HB2' ' O ' ' H' ' 12' ' ' VAL . 1.5 t80 -53.74 -46.13 70.78 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 114.476 -1.238 . . . . 0.0 110.752 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' H' H ' 17' ' ' LEU . . . . . 0.419 HD21 ' N ' ' H' ' 17' ' ' LEU . 3.9 mm? -67.81 -45.19 75.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.163 179.535 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 61.4 t -63.74 -46.55 94.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.144 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 19' ' ' CYS . . . . . . . . . . . . . 82.2 m -72.4 -19.13 61.66 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.388 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.18 -108.97 2.65 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.885 179.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 21' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -110.44 12.64 22.94 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.796 0.332 . . . . 0.0 111.43 -179.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 22' ' ' ARG . . . . . . . . . . . . . 67.0 mtp180 -77.24 -73.77 0.28 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.944 179.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 23' ' ' GLY . . . . . 0.476 ' CA ' ' HD2' ' F' ' 28' ' ' PRO . . . 139.24 -176.45 21.0 Favored Glycine 0 N--CA 1.445 -0.729 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.546 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' H' H ' 24' ' ' PHE . . . . . 0.451 ' CZ ' ' HB ' ' H' ' 12' ' ' VAL . 2.3 p90 -161.29 170.36 20.35 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.25 0.547 . . . . 0.0 110.601 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' H' H ' 25' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -128.78 136.98 51.27 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 177.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 26' ' ' TYR . . . . . 0.447 ' OH ' ' HA ' ' G' ' 3' ' ' VAL . 3.2 t80 -141.45 106.61 4.98 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.212 -0.595 . . . . 0.0 111.385 -177.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' H' H ' 27' ' ' THR . . . . . 0.575 ' HB ' ' HG2' ' H' ' 29' ' ' LYS . 10.1 p -127.04 100.75 26.77 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.264 179.595 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' H' H ' 28' ' ' PRO . . . . . 0.683 ' HA ' HG23 ' G' ' 3' ' ' VAL . 52.8 Cg_endo -70.09 -1.22 8.38 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.688 2.259 . . . . 0.0 112.645 -179.602 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' H' H ' 29' ' ' LYS . . . . . 0.575 ' HG2' ' HB ' ' H' ' 27' ' ' THR . 0.0 OUTLIER -69.28 164.85 21.87 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.316 179.831 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' H' H ' 30' ' ' THR . . . . . . . . . . . . . 9.0 m . . . . . 0 C--O 1.245 0.861 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 178.535 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' I' I ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.688 0 N-CA-C 111.294 -0.722 . . . . 0.0 111.294 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' I' I ' 2' ' ' ILE . . . . . . . . . . . . . 6.6 tt -160.05 -45.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.315 -0.916 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.051 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 3' ' ' VAL . . . . . 0.672 HG23 ' HA ' ' J' ' 28' ' ' PRO . 20.0 t -51.78 -50.32 32.66 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.099 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.463 -179.434 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' I' I ' 4' ' ' GLU . . . . . 0.665 ' HB2' HE21 ' J' ' 4' ' ' GLN . 32.7 tt0 -97.84 -45.93 6.13 Favored 'General case' 0 N--CA 1.443 -0.819 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.03 179.274 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' I' I ' 5' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -44.46 -52.77 7.56 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -179.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 6' ' ' CYS . . . . . 0.538 ' O ' ' HA ' ' I' ' 10' ' ' ILE . 81.5 m -80.75 -15.12 57.29 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 113.191 0.811 . . . . 0.0 113.191 -177.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' I' I ' 7' ' ' CYS . . . . . . . . . . . . . 45.8 t -97.58 -22.47 16.49 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.452 -0.499 . . . . 0.0 111.327 -179.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 8' ' ' THR . . . . . 0.844 HG21 ' H ' ' I' ' 9' ' ' SER . 10.6 t -80.48 -66.96 0.82 Allowed 'General case' 0 CA--C 1.534 0.349 0 O-C-N 121.789 -0.569 . . . . 0.0 111.472 -179.138 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' I' I ' 9' ' ' SER . . . . . 0.844 ' H ' HG21 ' I' ' 8' ' ' THR . 19.9 m -105.34 -6.01 19.98 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.566 0.222 . . . . 0.0 111.242 -179.446 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' I' I ' 10' ' ' ILE . . . . . 0.821 HD12 ' HB3' ' B' ' 5' ' ' HIS . 35.0 mt 77.81 136.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-N 115.626 -0.716 . . . . 0.0 112.22 179.322 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' I' I ' 11' ' ' CYS . . . . . 0.692 ' HB2' HD22 ' I' ' 16' ' ' LEU . 80.3 m -99.53 142.34 31.13 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.432 -0.803 . . . . 0.0 109.842 179.193 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' I' I ' 12' ' ' SER . . . . . . . . . . . . . 19.9 m -72.4 167.39 20.63 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 178.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 13' ' ' LEU . . . . . . . . . . . . . 7.7 tt -56.14 -46.47 79.21 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.599 0.238 . . . . 0.0 110.563 -179.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 13.8 m-30 -63.11 -32.2 73.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.764 0.316 . . . . 0.0 111.261 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 15' ' ' GLN . . . . . 0.415 ' OE1' ' HA ' ' I' ' 15' ' ' GLN . 12.1 mm100 -70.62 -39.82 73.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.89 0.376 . . . . 0.0 110.326 179.136 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' I' I ' 16' ' ' LEU . . . . . 0.692 HD22 ' HB2' ' I' ' 11' ' ' CYS . 95.8 mt -63.59 -32.53 74.03 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.19 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' I' I ' 17' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -62.19 -18.89 62.32 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.703 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 18' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -76.18 -10.73 59.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.076 0.465 . . . . 0.0 110.774 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 19' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -122.35 31.64 6.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.5 0.666 . . . . 0.0 109.716 -179.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 20' ' ' CYS . . . . . . . . . . . . . 49.6 t -105.21 175.26 5.55 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.447 -179.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 21' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.251 1.153 0 CA-C-O 118.591 -0.718 . . . . 0.0 110.676 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 1' ' ' PHE . . . . . 0.443 ' N ' ' HA ' ' E' ' 8' ' ' THR . 17.2 p90 . . . . . 0 N--CA 1.479 0.988 0 N-CA-C 111.61 0.226 . . . . 0.0 111.61 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 2' ' ' VAL . . . . . 0.533 HG22 ' HA ' ' E' ' 9' ' ' SER . 21.5 t -77.74 74.22 0.57 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.128 0 CA-C-O 121.558 0.694 . . . . 0.0 109.982 179.502 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' J' J ' 3' ' ' ASN . . . . . 0.762 ' HB3' ' HB3' ' J' ' 7' ' ' CYS . 78.4 m-20 -76.12 0.35 19.18 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.761 -178.75 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' J' J ' 4' ' ' GLN . . . . . 0.665 HE21 ' HB2' ' I' ' 4' ' ' GLU . 85.1 mt-30 -66.98 -35.46 80.01 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.224 0.535 . . . . 0.0 110.442 179.319 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' J' J ' 5' ' ' HIS . . . . . 0.795 ' HB3' HD12 ' E' ' 10' ' ' ILE . 73.6 t60 -98.01 -8.34 28.11 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.802 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' J' J ' 6' ' ' LEU . . . . . 0.576 ' HB2' ' HA ' ' J' ' 3' ' ' ASN . 74.8 mt -101.02 -76.76 0.55 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.916 179.608 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' J' J ' 7' ' ' CYS . . . . . 0.762 ' HB3' ' HB3' ' J' ' 3' ' ' ASN . 0.0 OUTLIER -64.29 -33.17 75.22 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.329 -0.851 . . . . 0.0 110.336 178.718 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' J' J ' 8' ' ' GLY . . . . . 0.735 ' HA2' ' HG ' ' J' ' 11' ' ' LEU . . . -56.13 -31.01 58.63 Favored Glycine 0 C--N 1.335 0.523 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.255 178.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' J' J ' 9' ' ' SER . . . . . 0.536 ' HB3' ' HG3' ' L' ' 13' ' ' GLU . 14.1 m -69.21 -7.54 37.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.005 0.431 . . . . 0.0 111.043 179.385 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' J' J ' 10' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -113.85 -7.95 13.18 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.762 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 11' ' ' LEU . . . . . 0.783 ' HA ' ' H5 ' ' I' ' 22' ' ' IPH . 69.9 mt -66.42 -33.86 76.64 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 177.521 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' J' J ' 12' ' ' VAL . . . . . 0.664 HG22 HG22 ' L' ' 12' ' ' VAL . 3.1 m -67.65 -31.85 54.25 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.433 0 CA-C-N 114.465 -1.243 . . . . 0.0 110.755 178.391 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' J' J ' 13' ' ' GLU . . . . . 0.502 ' HG3' ' HB3' ' L' ' 9' ' ' SER . 43.2 tt0 -62.56 -38.5 90.32 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 179.67 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' J' J ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.26 -46.11 61.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.034 178.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 15' ' ' LEU . . . . . 0.52 HD22 ' HB3' ' I' ' 16' ' ' LEU . 59.6 mt -58.87 -41.65 87.55 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 121.563 0.697 . . . . 0.0 109.706 178.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' J' J ' 16' ' ' TYR . . . . . 0.522 ' HB2' ' O ' ' J' ' 12' ' ' VAL . 1.6 t80 -54.04 -45.17 71.55 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 114.565 -1.198 . . . . 0.0 110.715 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' J' J ' 17' ' ' LEU . . . . . 0.434 HD21 ' N ' ' J' ' 17' ' ' LEU . 3.9 mm? -68.75 -44.73 73.13 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.113 179.594 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 66.6 t -64.43 -44.34 97.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.333 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 19' ' ' CYS . . . . . . . . . . . . . 79.5 m -74.91 -19.27 60.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.188 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.9 -106.74 1.8 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 121.057 -0.592 . . . . 0.0 113.143 179.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 21' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -113.34 13.23 19.01 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.952 0.406 . . . . 0.0 111.102 -179.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 22' ' ' ARG . . . . . . . . . . . . . 67.0 mtp180 -76.98 -74.5 0.24 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.627 178.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 23' ' ' GLY . . . . . 0.473 ' CA ' ' HD2' ' L' ' 28' ' ' PRO . . . 139.86 -175.99 21.49 Favored Glycine 0 N--CA 1.444 -0.784 0 N-CA-C 111.39 -0.684 . . . . 0.0 111.39 179.732 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' J' J ' 24' ' ' PHE . . . . . 0.456 ' CZ ' ' HB ' ' J' ' 12' ' ' VAL . 2.3 p90 -161.16 170.72 19.8 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.153 0.501 . . . . 0.0 110.67 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' J' J ' 25' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -129.15 136.39 50.12 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 178.045 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 26' ' ' TYR . . . . . 0.456 ' OH ' ' HA ' ' I' ' 3' ' ' VAL . 3.2 t80 -140.77 106.41 5.11 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.095 -0.642 . . . . 0.0 111.277 -178.054 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' J' J ' 27' ' ' THR . . . . . 0.572 ' HB ' ' HG2' ' J' ' 29' ' ' LYS . 15.8 p -126.75 101.48 26.7 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.306 179.112 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' J' J ' 28' ' ' PRO . . . . . 0.672 ' HA ' HG23 ' I' ' 3' ' ' VAL . 45.5 Cg_endo -70.06 -3.63 12.6 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.809 2.339 . . . . 0.0 112.771 -179.386 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' J' J ' 29' ' ' LYS . . . . . 0.572 ' HG2' ' HB ' ' J' ' 27' ' ' THR . 0.0 OUTLIER -66.05 169.57 6.73 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.941 179.391 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' J' J ' 30' ' ' THR . . . . . . . . . . . . . 13.9 m . . . . . 0 C--O 1.248 0.985 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 178.488 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.275 0 N-CA-C 110.769 -0.932 . . . . 0.0 110.769 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' K' K ' 2' ' ' ILE . . . . . . . . . . . . . 7.4 tt -160.81 -45.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-N 116.613 0.207 . . . . 0.0 111.212 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' K' K ' 3' ' ' VAL . . . . . 0.688 HG23 ' HA ' ' L' ' 28' ' ' PRO . 19.6 t -51.31 -49.11 31.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.08 -0.509 . . . . 0.0 112.062 -179.118 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' K' K ' 4' ' ' GLU . . . . . 0.699 ' HB2' HE21 ' L' ' 4' ' ' GLN . 33.7 tt0 -99.56 -45.42 5.81 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 179.304 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' K' K ' 5' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -44.92 -52.47 8.66 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' K' K ' 6' ' ' CYS . . . . . 0.54 ' O ' ' HA ' ' K' ' 10' ' ' ILE . 85.1 m -81.22 -15.18 56.41 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -177.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' K' K ' 7' ' ' CYS . . . . . . . . . . . . . 46.2 t -97.05 -22.9 16.53 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.508 -0.477 . . . . 0.0 111.428 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' K' K ' 8' ' ' THR . . . . . 0.821 HG21 ' H ' ' K' ' 9' ' ' SER . 9.8 t -80.08 -67.22 0.79 Allowed 'General case' 0 C--O 1.235 0.298 0 O-C-N 121.568 -0.708 . . . . 0.0 111.621 -179.345 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' K' K ' 9' ' ' SER . . . . . 0.821 ' H ' HG21 ' K' ' 8' ' ' THR . 16.9 m -105.5 -4.55 21.15 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.687 0.28 . . . . 0.0 111.295 -179.192 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' K' K ' 10' ' ' ILE . . . . . 0.818 HD12 ' HB3' ' H' ' 5' ' ' HIS . 33.4 mt 76.53 137.37 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 CA-C-N 115.416 -0.811 . . . . 0.0 112.487 179.045 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' K' K ' 11' ' ' CYS . . . . . 0.697 ' HB2' HD22 ' K' ' 16' ' ' LEU . 80.3 m -100.11 140.89 33.69 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.107 179.242 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' K' K ' 12' ' ' SER . . . . . . . . . . . . . 22.4 m -71.0 166.74 20.67 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 178.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' K' K ' 13' ' ' LEU . . . . . . . . . . . . . 7.6 tt -55.13 -46.74 75.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.633 0.254 . . . . 0.0 110.624 -179.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 13.7 m-30 -63.25 -30.56 71.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.864 0.364 . . . . 0.0 111.48 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -72.7 -39.34 67.09 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.1 179.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' K' K ' 16' ' ' LEU . . . . . 0.697 HD22 ' HB2' ' K' ' 11' ' ' CYS . 96.0 mt -63.84 -32.35 73.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.258 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' K' K ' 17' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -62.27 -18.59 61.68 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.63 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' K' K ' 18' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -76.92 -9.88 58.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.916 0.389 . . . . 0.0 110.721 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' K' K ' 19' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -122.54 30.01 6.68 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.47 0.653 . . . . 0.0 109.768 -179.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' K' K ' 20' ' ' CYS . . . . . . . . . . . . . 46.0 t -103.63 176.22 5.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.398 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' K' K ' 21' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.463 -0.78 . . . . 0.0 110.189 179.764 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' L' L ' 1' ' ' PHE . . . . . 0.423 ' N ' ' HA ' ' C' ' 8' ' ' THR . 18.7 p90 . . . . . 0 N--CA 1.48 1.066 0 N-CA-C 111.32 0.119 . . . . 0.0 111.32 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' L' L ' 2' ' ' VAL . . . . . 0.553 HG22 ' HA ' ' C' ' 9' ' ' SER . 21.5 t -79.48 75.31 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.103 0 CA-C-O 121.683 0.754 . . . . 0.0 109.393 179.317 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' L' L ' 3' ' ' ASN . . . . . 0.766 ' HB3' ' HB3' ' L' ' 7' ' ' CYS . 78.8 m-20 -77.25 -0.5 25.56 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.629 -178.742 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' L' L ' 4' ' ' GLN . . . . . 0.699 HE21 ' HB2' ' K' ' 4' ' ' GLU . 83.5 mt-30 -66.23 -35.5 80.6 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.264 0.554 . . . . 0.0 110.466 179.402 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' L' L ' 5' ' ' HIS . . . . . 0.793 ' HB3' HD12 ' C' ' 10' ' ' ILE . 73.1 t60 -98.5 -7.59 28.15 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.729 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' L' L ' 6' ' ' LEU . . . . . 0.566 ' HB2' ' HA ' ' L' ' 3' ' ' ASN . 75.3 mt -101.81 -76.3 0.57 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.828 179.325 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' L' L ' 7' ' ' CYS . . . . . 0.766 ' HB3' ' HB3' ' L' ' 3' ' ' ASN . 0.0 OUTLIER -64.26 -33.37 75.67 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.388 178.717 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' L' L ' 8' ' ' GLY . . . . . 0.746 ' HA2' ' HG ' ' L' ' 11' ' ' LEU . . . -56.48 -30.47 58.82 Favored Glycine 0 C--N 1.336 0.539 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.213 178.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' L' L ' 9' ' ' SER . . . . . 0.502 ' HB3' ' HG3' ' J' ' 13' ' ' GLU . 13.3 m -69.56 -7.27 37.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.055 0.455 . . . . 0.0 111.087 179.36 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' L' L ' 10' ' ' HIS . . . . . . . . . . . . . 86.5 m-70 -114.11 -7.88 13.03 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 120.942 0.401 . . . . 0.0 110.775 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' L' L ' 11' ' ' LEU . . . . . 0.776 ' HA ' ' H5 ' ' K' ' 22' ' ' IPH . 71.4 mt -66.41 -34.09 77.18 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 107.479 -1.304 . . . . 0.0 107.479 177.433 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' L' L ' 12' ' ' VAL . . . . . 0.664 HG22 HG22 ' J' ' 12' ' ' VAL . 3.0 m -67.37 -31.86 54.76 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.327 0 CA-C-N 114.528 -1.214 . . . . 0.0 110.86 178.255 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' L' L ' 13' ' ' GLU . . . . . 0.536 ' HG3' ' HB3' ' J' ' 9' ' ' SER . 41.9 tt0 -62.75 -38.73 91.72 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 179.655 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' L' L ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.98 -46.19 62.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.05 178.012 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' L' L ' 15' ' ' LEU . . . . . 0.507 HD22 ' HB3' ' K' ' 16' ' ' LEU . 59.6 mt -58.55 -41.95 86.77 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.626 0.727 . . . . 0.0 109.854 178.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' L' L ' 16' ' ' TYR . . . . . 0.531 ' HB2' ' O ' ' L' ' 12' ' ' VAL . 1.5 t80 -53.64 -45.08 70.07 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.496 -1.229 . . . . 0.0 111.113 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' L' L ' 17' ' ' LEU . . . . . 0.417 ' N ' HD21 ' L' ' 17' ' ' LEU . 3.9 mm? -69.44 -43.98 72.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.012 179.676 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 64.8 t -65.29 -44.42 94.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.113 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' L' L ' 19' ' ' CYS . . . . . . . . . . . . . 84.4 m -73.99 -19.59 60.61 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.252 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' L' L ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.9 -108.13 2.33 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.917 179.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' L' L ' 21' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -111.71 11.96 21.05 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.767 0.318 . . . . 0.0 111.283 -179.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' L' L ' 22' ' ' ARG . . . . . . . . . . . . . 66.9 mtp180 -76.09 -73.55 0.27 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.985 179.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' L' L ' 23' ' ' GLY . . . . . 0.477 ' CA ' ' HD2' ' J' ' 28' ' ' PRO . . . 138.92 -176.57 20.83 Favored Glycine 0 N--CA 1.444 -0.809 0 N-CA-C 111.552 -0.619 . . . . 0.0 111.552 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' L' L ' 24' ' ' PHE . . . . . 0.449 ' CZ ' ' HB ' ' L' ' 12' ' ' VAL . 2.4 p90 -160.76 170.92 19.78 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.901 0.381 . . . . 0.0 110.787 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' L' L ' 25' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -129.28 135.77 49.2 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 178.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' L' L ' 26' ' ' TYR . . . . . 0.456 ' OH ' ' HA ' ' K' ' 3' ' ' VAL . 3.2 t80 -140.33 106.6 5.25 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.207 -0.597 . . . . 0.0 111.48 -178.006 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' L' L ' 27' ' ' THR . . . . . 0.57 ' HB ' ' HG2' ' L' ' 29' ' ' LYS . 14.8 p -127.03 101.38 25.94 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.317 179.18 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' L' L ' 28' ' ' PRO . . . . . 0.688 ' HA ' HG23 ' K' ' 3' ' ' VAL . 49.1 Cg_endo -70.29 -2.74 11.05 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 122.828 2.352 . . . . 0.0 112.618 -179.507 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' L' L ' 29' ' ' LYS . . . . . 0.57 ' HG2' ' HB ' ' L' ' 27' ' ' THR . 0.0 OUTLIER -67.13 167.85 11.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.066 179.496 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' L' L ' 30' ' ' THR . . . . . . . . . . . . . 9.4 m . . . . . 0 C--O 1.247 0.962 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 178.78 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' IPH . . . . . 0.757 ' H5 ' ' HA ' ' B' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 22' ' ' IPH . . . . . 0.775 ' H5 ' ' HA ' ' D' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 22' ' ' IPH . . . . . 0.775 ' H5 ' ' HA ' ' F' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 22' ' ' IPH . . . . . 0.766 ' H5 ' ' HA ' ' H' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 22' ' ' IPH . . . . . 0.783 ' H5 ' ' HA ' ' J' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' K' K ' 22' ' ' IPH . . . . . 0.776 ' H5 ' ' HA ' ' L' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.387 0 N-CA-C 111.66 -0.576 . . . . 0.0 111.66 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.8 tt -142.18 -35.85 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.76 0.314 . . . . 0.0 111.111 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.594 HG12 ' HA ' ' B' ' 28' ' ' PRO . 29.5 m -63.0 -36.45 75.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 -179.23 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -83.4 -2.51 55.97 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.251 0.548 . . . . 0.0 111.516 -179.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.434 ' HG2' ' SG ' ' A' ' 11' ' ' CYS . 36.9 tt0 -108.28 -39.89 5.33 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.176 0.512 . . . . 0.0 110.695 179.665 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 72.9 m -90.08 -34.46 15.91 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -178.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.625 ' HB2' HD13 ' B' ' 11' ' ' LEU . 15.0 t -91.43 26.97 2.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.059 0.457 . . . . 0.0 111.34 -179.282 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.1 p -126.97 -64.2 1.02 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.0 0.428 . . . . 0.0 110.667 179.1 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.6 m -124.93 12.19 8.39 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.291 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 mp 70.35 140.28 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-O 121.644 0.735 . . . . 0.0 110.908 -179.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.434 ' SG ' ' HG2' ' A' ' 5' ' ' GLN . 92.6 m -93.86 147.91 22.63 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.779 -178.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.4 t -76.4 162.58 27.75 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.278 178.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.8 tt -56.32 -44.04 79.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.931 0.396 . . . . 0.0 110.582 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 -67.2 -32.87 74.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.052 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.503 ' HA ' ' ND2' ' A' ' 18' ' ' ASN . 86.6 mt-30 -70.41 -39.79 74.27 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 178.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 94.0 mt -63.83 -38.56 91.55 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.71 179.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -65.39 -21.48 66.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.433 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.503 ' ND2' ' HA ' ' A' ' 15' ' ' GLN . 86.4 m-20 -66.23 -31.5 72.35 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.168 0.509 . . . . 0.0 109.761 178.726 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -93.48 -10.93 33.3 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.508 179.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.582 ' HA ' ' HB3' ' B' ' 24' ' ' PHE . 23.1 t -77.14 161.17 28.44 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.634 -179.686 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.243 0.749 0 CA-C-O 118.498 -0.763 . . . . 0.0 110.16 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 35.5 t80 . . . . . 0 N--CA 1.478 0.94 0 CA-C-O 120.745 0.307 . . . . 0.0 110.329 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . 0.448 HG23 ' H ' ' B' ' 3' ' ' ASN . 4.4 p -73.1 -175.97 0.19 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 109.849 179.674 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . 0.46 ' O ' ' HB3' ' B' ' 7' ' ' CYS . 25.6 t-20 73.67 -73.7 0.09 Allowed 'General case' 0 C--O 1.212 -0.904 0 C-N-CA 123.055 0.542 . . . . 0.0 109.792 -179.592 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -57.75 -44.5 86.13 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.729 0.3 . . . . 0.0 111.429 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -70.15 -9.32 55.26 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.858 -179.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.41 ' HA ' HD21 ' B' ' 6' ' ' LEU . 30.2 mt -112.77 -31.11 6.84 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.725 0.774 . . . . 0.0 110.025 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . 0.46 ' HB3' ' O ' ' B' ' 3' ' ' ASN . 0.0 OUTLIER -74.88 -41.68 59.33 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.631 -1.168 . . . . 0.0 110.616 -179.476 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . 0.57 ' HA2' ' HG ' ' B' ' 11' ' ' LEU . . . -60.55 -26.84 65.12 Favored Glycine 0 C--N 1.332 0.346 0 C-N-CA 121.007 -0.616 . . . . 0.0 111.773 179.284 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' SER . . . . . 0.495 ' O ' ' HG2' ' D' ' 13' ' ' GLU . 8.6 m -64.33 -19.12 65.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.973 0.416 . . . . 0.0 111.032 179.589 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . 0.467 ' HA ' ' HG3' ' B' ' 13' ' ' GLU . 98.8 m-70 -108.38 -15.32 14.49 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.737 0.303 . . . . 0.0 111.378 -179.094 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.625 HD13 ' HB2' ' A' ' 7' ' ' CYS . 36.1 mt -68.18 -34.27 75.98 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 177.803 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.892 HG22 HG22 ' D' ' 12' ' ' VAL . 2.1 m -68.02 -28.62 41.84 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 CA-C-N 114.924 -1.034 . . . . 0.0 112.133 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.491 ' HG2' ' O ' ' D' ' 9' ' ' SER . 27.0 mt-10 -61.09 -53.52 56.03 Favored 'General case' 0 CA--C 1.519 -0.232 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 179.444 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.05 -27.61 64.79 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.21 -0.904 . . . . 0.0 110.668 179.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.644 ' HB2' ' HA ' ' B' ' 12' ' ' VAL . 1.7 mt -56.34 -60.33 3.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.63 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . 0.8 ' HB3' ' HE2' ' B' ' 24' ' ' PHE . 0.9 OUTLIER -76.34 -15.62 59.93 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 119.908 -0.717 . . . . 0.0 110.613 -179.324 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.788 HD13 ' H5 ' ' G' ' 22' ' ' IPH . 9.0 tt -67.19 -42.08 84.77 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 178.073 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 53.9 t -68.55 -35.97 72.63 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.446 178.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . 1.043 ' HB3' ' HB2' ' B' ' 22' ' ' ARG . 74.4 m -73.81 -16.59 61.14 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.236 -0.893 . . . . 0.0 111.683 179.724 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.95 -96.1 0.85 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.994 -0.622 . . . . 0.0 111.72 -179.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -108.78 2.9 22.02 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.89 0.376 . . . . 0.0 110.231 178.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . 1.043 ' HB2' ' HB3' ' B' ' 19' ' ' CYS . 76.2 mtt180 -79.39 163.72 24.59 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.277 178.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . 0.769 ' HA3' HG21 ' D' ' 27' ' ' THR . . . -108.78 -162.19 20.28 Favored Glycine 0 N--CA 1.442 -0.923 0 N-CA-C 110.423 -1.071 . . . . 0.0 110.423 177.65 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . 0.8 ' HE2' ' HB3' ' B' ' 16' ' ' TYR . 5.1 p90 -172.48 170.51 4.9 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 117.427 0.613 . . . . 0.0 111.557 179.372 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -115.04 111.14 20.64 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 177.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 81.9 t80 -110.68 118.69 36.87 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.059 -177.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' THR . . . . . 0.798 HG21 ' HA3' ' D' ' 23' ' ' GLY . 3.1 p -123.47 96.63 43.49 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-O 121.241 0.543 . . . . 0.0 110.584 179.654 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . 0.594 ' HA ' HG12 ' A' ' 3' ' ' VAL . 85.5 Cg_endo -84.56 45.58 1.73 Allowed 'Trans proline' 0 C--O 1.238 0.522 0 C-N-CA 123.18 2.586 . . . . 0.0 113.311 -179.151 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -91.65 135.3 33.98 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.055 0.455 . . . . 0.0 110.475 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 19.6 m . . . . . 0 C--O 1.251 1.181 0 CA-C-O 118.143 -0.932 . . . . 0.0 109.024 179.824 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.525 0 N-CA-C 111.722 -0.551 . . . . 0.0 111.722 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 7.2 tt -140.7 -36.89 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.741 0.305 . . . . 0.0 111.078 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 3' ' ' VAL . . . . . 0.617 HG12 ' HA ' ' D' ' 28' ' ' PRO . 23.4 m -60.68 -38.98 80.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -179.348 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -81.48 -2.93 51.54 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.116 0.484 . . . . 0.0 111.626 -179.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 5' ' ' GLN . . . . . 0.413 ' HG2' ' SG ' ' C' ' 11' ' ' CYS . 36.9 tt0 -107.91 -39.67 5.48 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.127 0.489 . . . . 0.0 110.666 179.727 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 72.7 m -90.57 -34.22 15.59 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -178.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 7' ' ' CYS . . . . . 0.618 ' HB2' HD13 ' D' ' 11' ' ' LEU . 13.4 t -91.3 27.18 1.99 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.054 0.454 . . . . 0.0 111.257 -179.416 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 11.0 p -127.48 -64.33 0.99 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.999 0.428 . . . . 0.0 110.862 178.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 9' ' ' SER . . . . . 0.422 ' O ' ' HB ' ' C' ' 10' ' ' ILE . 45.5 m -124.23 10.23 8.66 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.213 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . 0.422 ' HB ' ' O ' ' C' ' 9' ' ' SER . 2.3 mp 72.66 140.97 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-O 121.352 0.596 . . . . 0.0 110.556 -179.68 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 11' ' ' CYS . . . . . 0.413 ' SG ' ' HG2' ' C' ' 5' ' ' GLN . 86.4 m -94.84 148.09 22.67 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.794 -0.639 . . . . 0.0 112.06 -178.796 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 29.1 t -76.34 161.48 28.68 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.566 178.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 9.6 tt -55.22 -44.68 75.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.888 0.375 . . . . 0.0 110.74 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -66.92 -32.75 74.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.23 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . 0.531 ' HA ' ' ND2' ' C' ' 18' ' ' ASN . 88.3 mt-30 -70.55 -39.94 73.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.11 0.481 . . . . 0.0 109.778 178.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 94.0 mt -63.83 -37.75 88.54 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.873 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -66.77 -19.93 65.85 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.694 -0.23 . . . . 0.0 111.316 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 18' ' ' ASN . . . . . 0.531 ' ND2' ' HA ' ' C' ' 15' ' ' GLN . 85.2 m-20 -66.92 -31.75 72.54 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 121.243 0.544 . . . . 0.0 109.719 178.552 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -93.28 -10.77 34.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.641 179.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 20' ' ' CYS . . . . . 0.576 ' HA ' ' HB3' ' D' ' 24' ' ' PHE . 24.6 t -77.52 160.6 28.52 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.115 -0.948 . . . . 0.0 110.717 -179.753 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 21' ' ' ASN . . . . . 0.41 HD21 ' HA ' ' C' ' 21' ' ' ASN . 0.8 OUTLIER . . . . . 0 C--O 1.243 0.72 0 CA-C-O 118.372 -0.823 . . . . 0.0 110.588 -179.573 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 39.6 t80 . . . . . 0 N--CA 1.48 1.033 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 2' ' ' VAL . . . . . 0.487 HG23 ' H ' ' D' ' 3' ' ' ASN . 4.9 p -73.19 -176.36 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 179.593 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 3' ' ' ASN . . . . . 0.487 ' H ' HG23 ' D' ' 2' ' ' VAL . 23.8 t-20 73.98 -73.59 0.1 Allowed 'General case' 0 C--O 1.211 -0.969 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 -179.695 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -57.67 -45.08 86.05 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.743 0.306 . . . . 0.0 111.576 179.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 5' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -69.86 -8.94 52.7 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 116.314 -0.403 . . . . 0.0 112.044 -179.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 29.6 mt -112.98 -31.79 6.58 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.723 0.773 . . . . 0.0 109.903 179.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 7' ' ' CYS . . . . . 0.461 ' HB3' ' O ' ' D' ' 3' ' ' ASN . 0.0 OUTLIER -74.33 -41.36 61.23 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.712 -179.534 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' D' D ' 8' ' ' GLY . . . . . 0.554 ' HA2' ' HG ' ' D' ' 11' ' ' LEU . . . -60.54 -26.82 65.08 Favored Glycine 0 C--N 1.333 0.386 0 C-N-CA 121.185 -0.531 . . . . 0.0 111.878 179.236 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 9' ' ' SER . . . . . 0.492 ' HA ' ' HE2' ' B' ' 16' ' ' TYR . 9.1 m -64.72 -19.33 65.71 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.093 0.473 . . . . 0.0 111.097 179.48 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 10' ' ' HIS . . . . . 0.477 ' HA ' ' HG3' ' D' ' 13' ' ' GLU . 98.7 m-70 -108.05 -15.47 14.51 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.427 -179.174 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 11' ' ' LEU . . . . . 0.618 HD13 ' HB2' ' C' ' 7' ' ' CYS . 35.7 mt -68.14 -34.21 75.91 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 177.768 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . 0.892 HG22 HG22 ' B' ' 12' ' ' VAL . 2.0 m -68.0 -28.85 42.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 115.079 -0.964 . . . . 0.0 112.118 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 13' ' ' GLU . . . . . 0.495 ' HG2' ' O ' ' B' ' 9' ' ' SER . 26.2 mt-10 -60.85 -53.72 53.94 Favored 'General case' 0 CA--C 1.52 -0.204 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 179.344 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.0 -27.42 64.68 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.615 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 15' ' ' LEU . . . . . 0.641 ' HB2' ' HA ' ' D' ' 12' ' ' VAL . 1.7 mt -56.59 -60.19 3.91 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.637 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 16' ' ' TYR . . . . . 0.809 ' HB3' ' HE2' ' D' ' 24' ' ' PHE . 0.9 OUTLIER -76.43 -15.7 59.86 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 119.973 -0.691 . . . . 0.0 110.707 -179.233 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . 0.758 HD13 ' H5 ' ' I' ' 22' ' ' IPH . 9.0 tt -67.19 -42.82 83.56 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 178.288 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 54.3 t -67.38 -36.45 76.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.428 -0.805 . . . . 0.0 109.498 178.084 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 19' ' ' CYS . . . . . 1.084 ' HB3' ' HB2' ' D' ' 22' ' ' ARG . 76.3 m -73.66 -15.81 61.23 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.687 179.776 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.39 -97.41 0.86 Allowed Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.984 -0.627 . . . . 0.0 111.771 -179.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -107.52 1.33 23.32 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.93 0.395 . . . . 0.0 110.389 178.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 22' ' ' ARG . . . . . 1.084 ' HB2' ' HB3' ' D' ' 19' ' ' CYS . 74.5 mtt180 -77.11 165.1 25.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.232 178.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 23' ' ' GLY . . . . . 0.798 ' HA3' HG21 ' B' ' 27' ' ' THR . . . -110.09 -162.02 18.75 Favored Glycine 0 N--CA 1.442 -0.935 0 N-CA-C 110.35 -1.1 . . . . 0.0 110.35 177.343 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 24' ' ' PHE . . . . . 0.809 ' HE2' ' HB3' ' D' ' 16' ' ' TYR . 5.2 p90 -172.77 169.91 4.79 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 117.28 0.54 . . . . 0.0 111.567 179.34 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 25' ' ' PHE . . . . . . . . . . . . . 7.4 p90 -114.49 110.55 20.0 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 177.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 26' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -109.65 119.69 40.17 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.919 -178.059 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 27' ' ' THR . . . . . 0.769 HG21 ' HA3' ' B' ' 23' ' ' GLY . 2.9 p -124.67 96.91 39.97 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-O 121.193 0.52 . . . . 0.0 110.343 179.622 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 28' ' ' PRO . . . . . 0.617 ' HA ' HG12 ' C' ' 3' ' ' VAL . 97.3 Cg_endo -84.43 41.16 0.95 Allowed 'Trans proline' 0 C--O 1.237 0.451 0 C-N-CA 123.393 2.728 . . . . 0.0 113.502 -178.662 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -87.48 136.79 32.8 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.826 0.346 . . . . 0.0 110.449 179.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 28.6 m . . . . . 0 C--O 1.252 1.199 0 CA-C-O 118.199 -0.905 . . . . 0.0 109.603 179.529 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.585 0 N-CA-C 111.959 -0.456 . . . . 0.0 111.959 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' E' E ' 2' ' ' ILE . . . . . . . . . . . . . 6.2 tt -142.81 -36.06 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.912 0.387 . . . . 0.0 110.992 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 3' ' ' VAL . . . . . 0.589 HG12 ' HA ' ' F' ' 28' ' ' PRO . 27.3 m -61.83 -37.57 78.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -179.312 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 4' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -82.46 -3.01 55.02 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.126 0.488 . . . . 0.0 111.552 -179.085 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 5' ' ' GLN . . . . . 0.429 ' HG2' ' SG ' ' E' ' 11' ' ' CYS . 37.9 tt0 -107.95 -39.2 5.6 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.335 0.588 . . . . 0.0 110.87 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 6' ' ' CYS . . . . . . . . . . . . . 75.2 m -91.22 -34.17 15.09 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 112.335 0.494 . . . . 0.0 112.335 -178.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 7' ' ' CYS . . . . . 0.61 ' HB2' HD13 ' F' ' 11' ' ' LEU . 14.1 t -91.29 26.59 2.17 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.081 0.467 . . . . 0.0 111.091 -179.409 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 7.1 p -127.13 -64.82 0.98 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.713 179.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 9' ' ' SER . . . . . . . . . . . . . 41.9 m -125.08 14.04 8.42 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.015 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 10' ' ' ILE . . . . . . . . . . . . . 2.2 mp 69.33 141.48 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 CA-C-O 121.595 0.712 . . . . 0.0 111.037 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 11' ' ' CYS . . . . . 0.429 ' SG ' ' HG2' ' E' ' 5' ' ' GLN . 93.6 m -95.03 146.98 23.89 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.896 -179.033 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 12' ' ' SER . . . . . 0.413 ' HB3' ' HG3' ' E' ' 15' ' ' GLN . 26.7 t -74.7 162.79 28.39 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.482 178.78 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 9.8 tt -57.3 -43.83 83.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.995 0.426 . . . . 0.0 110.724 179.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -67.01 -32.9 74.43 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.042 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . 0.562 ' HA ' ' ND2' ' E' ' 18' ' ' ASN . 86.8 mt-30 -70.24 -40.7 74.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.054 0.454 . . . . 0.0 109.932 179.045 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 16' ' ' LEU . . . . . . . . . . . . . 95.0 mt -62.95 -37.47 87.21 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.774 179.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 17' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -66.82 -20.48 65.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.396 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 18' ' ' ASN . . . . . 0.562 ' ND2' ' HA ' ' E' ' 15' ' ' GLN . 84.1 m-20 -66.85 -30.8 71.06 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.298 0.571 . . . . 0.0 109.779 178.472 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 19' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -94.44 -9.66 34.88 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.668 179.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 20' ' ' CYS . . . . . 0.585 ' HA ' ' HB3' ' F' ' 24' ' ' PHE . 24.2 t -78.4 161.06 27.42 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.675 -179.718 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 21' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.247 0.952 0 CA-C-O 118.503 -0.761 . . . . 0.0 110.41 -179.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 1' ' ' PHE . . . . . . . . . . . . . 38.1 t80 . . . . . 0 N--CA 1.477 0.899 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' F' F ' 2' ' ' VAL . . . . . 0.452 HG23 ' H ' ' F' ' 3' ' ' ASN . 4.3 p -73.95 -176.34 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 109.865 -0.421 . . . . 0.0 109.865 179.747 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' F' F ' 3' ' ' ASN . . . . . 0.462 ' O ' ' HB3' ' F' ' 7' ' ' CYS . 27.1 t-20 74.05 -73.76 0.09 Allowed 'General case' 0 C--O 1.212 -0.868 0 C-N-CA 122.882 0.473 . . . . 0.0 109.728 -179.708 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' F' F ' 4' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -57.45 -45.83 84.28 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.573 0.225 . . . . 0.0 111.259 179.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 5' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -69.11 -8.8 48.74 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -179.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 6' ' ' LEU . . . . . . . . . . . . . 30.4 mt -113.18 -31.14 6.72 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.698 0.761 . . . . 0.0 110.012 179.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 7' ' ' CYS . . . . . 0.462 ' HB3' ' O ' ' F' ' 3' ' ' ASN . 0.0 OUTLIER -75.09 -41.56 58.45 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.746 -1.116 . . . . 0.0 110.62 -179.509 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' F' F ' 8' ' ' GLY . . . . . 0.554 ' HA2' ' HG ' ' F' ' 11' ' ' LEU . . . -60.37 -26.58 64.33 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.996 -0.621 . . . . 0.0 111.957 179.041 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' F' F ' 9' ' ' SER . . . . . 0.493 ' HA ' ' HE2' ' H' ' 16' ' ' TYR . 9.3 m -64.72 -19.21 65.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.059 0.457 . . . . 0.0 111.042 179.566 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' F' F ' 10' ' ' HIS . . . . . 0.479 ' HA ' ' HG3' ' F' ' 13' ' ' GLU . 99.0 m-70 -108.36 -15.55 14.44 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.443 -179.144 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' F' F ' 11' ' ' LEU . . . . . 0.61 HD13 ' HB2' ' E' ' 7' ' ' CYS . 36.1 mt -67.86 -34.42 76.67 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 177.601 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' F' F ' 12' ' ' VAL . . . . . 0.899 HG22 HG22 ' H' ' 12' ' ' VAL . 1.9 m -67.82 -28.47 41.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-N 115.046 -0.979 . . . . 0.0 112.296 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' F' F ' 13' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' H' ' 9' ' ' SER . 25.7 mt-10 -61.24 -53.45 56.67 Favored 'General case' 0 CA--C 1.519 -0.236 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 179.382 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' F' F ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.13 -27.38 64.52 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.635 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 15' ' ' LEU . . . . . 0.625 ' HB2' ' HA ' ' F' ' 12' ' ' VAL . 1.6 mt -57.0 -60.3 3.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.455 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' F' F ' 16' ' ' TYR . . . . . 0.823 ' HB3' ' HE2' ' F' ' 24' ' ' PHE . 0.8 OUTLIER -76.43 -15.51 59.91 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 119.845 -0.742 . . . . 0.0 110.68 -179.337 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' F' F ' 17' ' ' LEU . . . . . 0.763 HD13 ' H5 ' ' K' ' 22' ' ' IPH . 9.0 tt -67.19 -42.05 84.86 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 178.109 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 53.7 t -68.14 -37.19 77.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.362 178.256 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 19' ' ' CYS . . . . . 1.124 ' HB3' ' HB2' ' F' ' 22' ' ' ARG . 74.1 m -72.7 -16.58 61.67 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.395 -0.821 . . . . 0.0 111.785 179.696 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' F' F ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.6 -95.28 0.88 Allowed Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.975 -0.631 . . . . 0.0 111.802 -179.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 21' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -110.01 2.39 19.6 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.903 0.382 . . . . 0.0 110.226 178.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 22' ' ' ARG . . . . . 1.124 ' HB2' ' HB3' ' F' ' 19' ' ' CYS . 75.6 mtt180 -77.9 164.59 25.01 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.083 178.697 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' F' F ' 23' ' ' GLY . . . . . 0.731 ' HA3' HG21 ' H' ' 27' ' ' THR . . . -110.09 -162.13 18.8 Favored Glycine 0 N--CA 1.441 -0.976 0 N-CA-C 110.192 -1.163 . . . . 0.0 110.192 177.551 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' F' F ' 24' ' ' PHE . . . . . 0.823 ' HE2' ' HB3' ' F' ' 16' ' ' TYR . 5.3 p90 -172.3 170.39 5.09 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 117.517 0.659 . . . . 0.0 111.549 179.425 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' F' F ' 25' ' ' PHE . . . . . . . . . . . . . 7.6 p90 -114.98 110.28 19.38 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 177.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 26' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -109.58 119.32 39.04 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.974 -177.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 27' ' ' THR . . . . . 0.78 HG21 ' HA3' ' H' ' 23' ' ' GLY . 3.1 p -124.21 96.65 41.6 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-O 121.114 0.483 . . . . 0.0 110.527 179.574 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' F' F ' 28' ' ' PRO . . . . . 0.589 ' HA ' HG12 ' E' ' 3' ' ' VAL . 89.8 Cg_endo -84.36 45.16 1.66 Allowed 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 123.406 2.737 . . . . 0.0 113.13 -179.276 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' F' F ' 29' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -91.56 134.69 34.45 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.86 0.362 . . . . 0.0 110.475 179.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 30' ' ' THR . . . . . . . . . . . . . 23.2 m . . . . . 0 C--O 1.25 1.128 0 CA-C-O 117.964 -1.017 . . . . 0.0 109.275 179.684 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' G' G ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.037 0 N-CA-C 112.016 -0.434 . . . . 0.0 112.016 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' G' G ' 2' ' ' ILE . . . . . . . . . . . . . 6.7 tt -138.51 -36.62 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 O-C-N 122.77 -0.253 . . . . 0.0 111.163 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 3' ' ' VAL . . . . . 0.608 HG12 ' HA ' ' H' ' 28' ' ' PRO . 25.4 m -60.77 -38.43 78.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -179.37 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' G' G ' 4' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -82.04 -1.99 50.27 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.944 0.402 . . . . 0.0 111.55 -179.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 5' ' ' GLN . . . . . 0.427 ' HG2' ' SG ' ' G' ' 11' ' ' CYS . 37.4 tt0 -108.82 -40.11 5.14 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 120.986 0.422 . . . . 0.0 110.663 179.564 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' G' G ' 6' ' ' CYS . . . . . . . . . . . . . 75.7 m -90.18 -33.98 16.0 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -178.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 7' ' ' CYS . . . . . 0.626 ' HB2' HD13 ' H' ' 11' ' ' LEU . 14.2 t -91.38 26.0 2.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.139 0.495 . . . . 0.0 111.472 -179.408 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' G' G ' 8' ' ' THR . . . . . . . . . . . . . 6.6 p -126.42 -63.96 1.06 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.969 0.414 . . . . 0.0 110.65 179.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 9' ' ' SER . . . . . . . . . . . . . 42.7 m -125.89 14.02 7.96 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.356 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 10' ' ' ILE . . . . . . . . . . . . . 2.2 mp 69.36 140.53 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 CA-C-O 121.697 0.761 . . . . 0.0 110.991 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 11' ' ' CYS . . . . . 0.427 ' SG ' ' HG2' ' G' ' 5' ' ' GLN . 94.6 m -94.56 146.85 23.83 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.831 -179.032 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' G' G ' 12' ' ' SER . . . . . . . . . . . . . 30.3 t -75.39 161.45 29.23 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.47 -0.787 . . . . 0.0 109.461 178.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 13' ' ' LEU . . . . . . . . . . . . . 10.0 tt -55.85 -43.97 77.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.949 0.404 . . . . 0.0 110.697 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -67.31 -32.19 72.99 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.074 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 15' ' ' GLN . . . . . 0.521 ' HA ' ' ND2' ' G' ' 18' ' ' ASN . 86.3 mt-30 -71.06 -39.5 72.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.895 0.379 . . . . 0.0 110.094 178.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' G' G ' 16' ' ' LEU . . . . . . . . . . . . . 94.3 mt -63.97 -38.08 89.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.676 179.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 17' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -65.83 -21.45 66.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.415 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 18' ' ' ASN . . . . . 0.521 ' ND2' ' HA ' ' G' ' 15' ' ' GLN . 83.9 m-20 -66.2 -31.99 73.15 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.339 0.59 . . . . 0.0 109.781 178.527 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' G' G ' 19' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -93.03 -10.6 35.62 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.782 179.346 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 20' ' ' CYS . . . . . 0.573 ' HA ' ' HB3' ' H' ' 24' ' ' PHE . 23.0 t -77.07 162.65 27.33 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.208 -0.906 . . . . 0.0 110.667 -179.803 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' G' G ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.245 0.834 0 CA-C-O 118.577 -0.725 . . . . 0.0 110.263 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' H' H ' 1' ' ' PHE . . . . . . . . . . . . . 42.5 t80 . . . . . 0 N--CA 1.479 1.009 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' H' H ' 2' ' ' VAL . . . . . 0.463 HG23 ' H ' ' H' ' 3' ' ' ASN . 4.6 p -72.68 -176.91 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 179.628 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' H' H ' 3' ' ' ASN . . . . . 0.472 ' O ' ' HB3' ' H' ' 7' ' ' CYS . 27.5 t-20 74.59 -73.57 0.09 Allowed 'General case' 0 C--O 1.213 -0.84 0 C-N-CA 123.055 0.542 . . . . 0.0 109.561 -179.553 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' H' H ' 4' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -58.14 -44.46 87.85 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.76 0.314 . . . . 0.0 111.545 179.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' H' H ' 5' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -70.13 -8.99 54.13 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -179.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' H' H ' 6' ' ' LEU . . . . . . . . . . . . . 30.0 mt -113.06 -31.7 6.58 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.67 0.747 . . . . 0.0 110.011 179.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' H' H ' 7' ' ' CYS . . . . . 0.472 ' HB3' ' O ' ' H' ' 3' ' ' ASN . 0.0 OUTLIER -74.16 -41.9 60.76 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 114.889 -1.051 . . . . 0.0 110.621 -179.528 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' H' H ' 8' ' ' GLY . . . . . 0.567 ' HA2' ' HG ' ' H' ' 11' ' ' LEU . . . -60.22 -27.17 64.83 Favored Glycine 0 C--N 1.333 0.372 0 C-N-CA 121.06 -0.591 . . . . 0.0 111.939 179.329 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' H' H ' 9' ' ' SER . . . . . 0.484 ' O ' ' HG2' ' F' ' 13' ' ' GLU . 8.9 m -64.19 -19.0 65.03 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.113 0.482 . . . . 0.0 110.897 179.592 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' H' H ' 10' ' ' HIS . . . . . 0.478 ' HA ' ' HG3' ' H' ' 13' ' ' GLU . 98.7 m-70 -108.51 -15.08 14.52 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.49 -179.232 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' H' H ' 11' ' ' LEU . . . . . 0.626 HD13 ' HB2' ' G' ' 7' ' ' CYS . 36.3 mt -68.45 -34.31 75.73 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 177.797 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' H' H ' 12' ' ' VAL . . . . . 0.899 HG22 HG22 ' F' ' 12' ' ' VAL . 2.2 m -67.51 -29.18 44.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 114.92 -1.037 . . . . 0.0 112.169 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' H' H ' 13' ' ' GLU . . . . . 0.486 ' HG2' ' O ' ' F' ' 9' ' ' SER . 25.8 mt-10 -60.62 -53.98 50.92 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-O 121.392 0.615 . . . . 0.0 109.486 179.33 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' H' H ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.83 -27.64 65.03 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.21 -0.904 . . . . 0.0 110.662 179.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' H' H ' 15' ' ' LEU . . . . . 0.623 ' HB2' ' HA ' ' H' ' 12' ' ' VAL . 1.7 mt -56.62 -60.11 4.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.753 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' H' H ' 16' ' ' TYR . . . . . 0.821 ' HB3' ' HE2' ' H' ' 24' ' ' PHE . 0.9 OUTLIER -76.46 -15.8 59.82 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 119.914 -0.715 . . . . 0.0 110.538 -179.347 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' H' H ' 17' ' ' LEU . . . . . 0.748 HD13 ' H5 ' ' A' ' 22' ' ' IPH . 9.0 tt -66.56 -43.62 84.52 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 177.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 54.8 t -66.65 -38.1 80.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.468 178.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' H' H ' 19' ' ' CYS . . . . . 1.02 ' HB3' ' HB2' ' H' ' 22' ' ' ARG . 74.7 m -71.68 -16.68 62.26 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.756 179.568 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' H' H ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.09 -97.38 0.93 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 121.053 -0.594 . . . . 0.0 111.626 -179.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' H' H ' 21' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -108.24 3.76 23.96 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.846 0.355 . . . . 0.0 110.447 178.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' H' H ' 22' ' ' ARG . . . . . 1.02 ' HB2' ' HB3' ' H' ' 19' ' ' CYS . 74.9 mtt180 -79.08 165.47 23.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.037 178.661 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' H' H ' 23' ' ' GLY . . . . . 0.78 ' HA3' HG21 ' F' ' 27' ' ' THR . . . -110.67 -162.27 18.18 Favored Glycine 0 N--CA 1.444 -0.807 0 N-CA-C 110.338 -1.105 . . . . 0.0 110.338 177.349 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' H' H ' 24' ' ' PHE . . . . . 0.821 ' HE2' ' HB3' ' H' ' 16' ' ' TYR . 5.1 p90 -172.42 170.34 4.99 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 117.562 0.681 . . . . 0.0 111.567 179.395 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' H' H ' 25' ' ' PHE . . . . . . . . . . . . . 6.9 p90 -114.88 110.6 19.91 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 177.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' H' H ' 26' ' ' TYR . . . . . . . . . . . . . 81.9 t80 -109.88 118.72 37.22 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.061 -177.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' H' H ' 27' ' ' THR . . . . . 0.731 HG21 ' HA3' ' F' ' 23' ' ' GLY . 3.4 p -123.14 96.49 44.5 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-O 121.058 0.456 . . . . 0.0 110.422 179.465 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' H' H ' 28' ' ' PRO . . . . . 0.608 ' HA ' HG12 ' G' ' 3' ' ' VAL . 95.0 Cg_endo -84.24 44.36 1.52 Allowed 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 123.273 2.648 . . . . 0.0 113.208 -179.24 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' H' H ' 29' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -90.79 135.86 33.44 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.879 0.371 . . . . 0.0 110.3 179.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' H' H ' 30' ' ' THR . . . . . . . . . . . . . 25.9 m . . . . . 0 C--O 1.249 1.035 0 CA-C-O 117.97 -1.014 . . . . 0.0 109.136 179.586 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' I' I ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.766 0 N-CA-C 111.485 -0.646 . . . . 0.0 111.485 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' I' I ' 2' ' ' ILE . . . . . . . . . . . . . 6.5 tt -139.88 -35.94 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.627 0.251 . . . . 0.0 111.073 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 3' ' ' VAL . . . . . 0.623 HG12 ' HA ' ' J' ' 28' ' ' PRO . 23.0 m -61.3 -39.08 81.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -179.278 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' I' I ' 4' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -81.06 -3.06 50.61 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.156 0.503 . . . . 0.0 111.687 -179.047 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 5' ' ' GLN . . . . . 0.411 ' HG2' ' SG ' ' I' ' 11' ' ' CYS . 37.9 tt0 -107.83 -40.04 5.38 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.22 0.533 . . . . 0.0 110.715 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' I' I ' 6' ' ' CYS . . . . . . . . . . . . . 74.6 m -90.29 -34.24 15.82 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -178.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 7' ' ' CYS . . . . . 0.609 ' HB2' HD13 ' J' ' 11' ' ' LEU . 13.7 t -91.21 26.51 2.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.192 0.52 . . . . 0.0 111.224 -179.36 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' I' I ' 8' ' ' THR . . . . . . . . . . . . . 9.7 p -126.99 -64.31 1.01 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.928 0.394 . . . . 0.0 110.594 179.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 9' ' ' SER . . . . . . . . . . . . . 49.8 m -125.41 13.2 8.19 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.379 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 10' ' ' ILE . . . . . . . . . . . . . 2.2 mp 70.18 140.62 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-O 121.662 0.744 . . . . 0.0 111.042 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 11' ' ' CYS . . . . . 0.411 ' SG ' ' HG2' ' I' ' 5' ' ' GLN . 87.1 m -94.51 146.07 24.35 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.926 -178.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' I' I ' 12' ' ' SER . . . . . . . . . . . . . 35.9 t -74.76 162.23 28.88 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.52 178.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 13' ' ' LEU . . . . . . . . . . . . . 9.8 tt -55.85 -44.49 78.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.875 0.369 . . . . 0.0 110.746 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -67.05 -31.47 72.0 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.352 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 15' ' ' GLN . . . . . 0.53 ' HA ' ' ND2' ' I' ' 18' ' ' ASN . 86.3 mt-30 -71.79 -39.95 69.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.002 0.429 . . . . 0.0 109.915 178.747 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' I' I ' 16' ' ' LEU . . . . . . . . . . . . . 94.7 mt -63.31 -38.34 90.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.678 179.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 17' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -65.83 -20.12 66.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.492 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 18' ' ' ASN . . . . . 0.53 ' ND2' ' HA ' ' I' ' 15' ' ' GLN . 84.9 m-20 -66.99 -32.53 73.83 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 121.284 0.564 . . . . 0.0 109.524 178.568 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' I' I ' 19' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -92.85 -10.25 37.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.82 179.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 20' ' ' CYS . . . . . 0.576 ' HA ' ' HB3' ' J' ' 24' ' ' PHE . 24.7 t -77.31 162.87 26.97 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.164 -0.926 . . . . 0.0 110.5 -179.633 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' I' I ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.615 -0.707 . . . . 0.0 110.466 -179.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' J' J ' 1' ' ' PHE . . . . . . . . . . . . . 39.3 t80 . . . . . 0 N--CA 1.479 1.014 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' J' J ' 2' ' ' VAL . . . . . 0.47 HG23 ' H ' ' J' ' 3' ' ' ASN . 4.3 p -73.0 -176.56 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 179.631 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' J' J ' 3' ' ' ASN . . . . . 0.476 ' O ' ' HB3' ' J' ' 7' ' ' CYS . 24.5 t-20 73.86 -73.41 0.1 Allowed 'General case' 0 C--O 1.212 -0.89 0 C-N-CA 123.053 0.541 . . . . 0.0 109.729 -179.615 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' J' J ' 4' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -57.93 -44.84 87.13 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.697 0.284 . . . . 0.0 111.49 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' J' J ' 5' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -69.88 -8.87 52.18 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.895 -179.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' J' J ' 6' ' ' LEU . . . . . . . . . . . . . 30.0 mt -113.43 -30.59 6.83 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.772 0.796 . . . . 0.0 110.029 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' J' J ' 7' ' ' CYS . . . . . 0.476 ' HB3' ' O ' ' J' ' 3' ' ' ASN . 0.0 OUTLIER -75.57 -41.24 55.22 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 114.776 -1.102 . . . . 0.0 110.655 -179.439 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' J' J ' 8' ' ' GLY . . . . . 0.604 ' HA2' ' HG ' ' J' ' 11' ' ' LEU . . . -61.07 -26.09 65.25 Favored Glycine 0 C--N 1.331 0.282 0 C-N-CA 121.055 -0.593 . . . . 0.0 111.885 179.202 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' J' J ' 9' ' ' SER . . . . . 0.498 ' O ' ' HG2' ' L' ' 13' ' ' GLU . 9.1 m -64.96 -18.94 65.7 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.072 0.463 . . . . 0.0 110.884 179.539 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' J' J ' 10' ' ' HIS . . . . . 0.472 ' HA ' ' HG3' ' J' ' 13' ' ' GLU . 99.0 m-70 -108.6 -15.21 14.48 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 120.844 -0.342 . . . . 0.0 111.513 -179.271 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' J' J ' 11' ' ' LEU . . . . . 0.609 HD13 ' HB2' ' I' ' 7' ' ' CYS . 37.8 mt -68.33 -34.01 75.33 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 177.83 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' J' J ' 12' ' ' VAL . . . . . 0.896 HG22 HG22 ' L' ' 12' ' ' VAL . 2.0 m -68.01 -28.68 42.07 Favored 'Isoleucine or valine' 0 C--O 1.232 0.147 0 CA-C-N 115.031 -0.986 . . . . 0.0 112.129 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' J' J ' 13' ' ' GLU . . . . . 0.483 ' HG2' ' O ' ' L' ' 9' ' ' SER . 26.0 mt-10 -61.0 -53.52 56.25 Favored 'General case' 0 CA--C 1.517 -0.323 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 179.342 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' J' J ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.35 -27.11 64.09 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.62 179.436 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' J' J ' 15' ' ' LEU . . . . . 0.628 ' HB2' ' HA ' ' J' ' 12' ' ' VAL . 1.7 mt -57.0 -60.46 3.55 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.598 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' J' J ' 16' ' ' TYR . . . . . 0.784 ' HB3' ' HE2' ' J' ' 24' ' ' PHE . 0.9 OUTLIER -76.26 -15.38 60.02 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 119.78 -0.768 . . . . 0.0 110.651 -179.275 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' J' J ' 17' ' ' LEU . . . . . 0.803 HD13 ' H5 ' ' C' ' 22' ' ' IPH . 9.1 tt -67.37 -41.92 84.26 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 178.075 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 53.2 t -68.57 -36.17 73.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.264 178.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' J' J ' 19' ' ' CYS . . . . . 1.091 ' HB3' ' HB2' ' J' ' 22' ' ' ARG . 75.9 m -74.07 -14.85 61.06 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.76 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' J' J ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.84 -95.48 0.72 Allowed Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 121.038 -0.601 . . . . 0.0 111.685 -179.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' J' J ' 21' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -109.34 1.76 20.27 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.856 0.36 . . . . 0.0 110.276 178.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' J' J ' 22' ' ' ARG . . . . . 1.091 ' HB2' ' HB3' ' J' ' 19' ' ' CYS . 73.2 mtt180 -77.51 164.61 25.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.225 178.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' J' J ' 23' ' ' GLY . . . . . 0.766 ' HA3' HG21 ' L' ' 27' ' ' THR . . . -109.68 -162.24 19.31 Favored Glycine 0 N--CA 1.442 -0.943 0 N-CA-C 110.251 -1.14 . . . . 0.0 110.251 177.485 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' J' J ' 24' ' ' PHE . . . . . 0.784 ' HE2' ' HB3' ' J' ' 16' ' ' TYR . 5.2 p90 -172.42 170.15 5.05 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 117.428 0.614 . . . . 0.0 111.441 179.271 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' J' J ' 25' ' ' PHE . . . . . . . . . . . . . 7.5 p90 -115.08 109.67 18.4 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 177.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' J' J ' 26' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -108.85 118.74 37.59 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.017 -177.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' J' J ' 27' ' ' THR . . . . . 0.787 HG21 ' HA3' ' L' ' 23' ' ' GLY . 2.5 p -123.54 97.4 42.2 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-O 121.114 0.483 . . . . 0.0 110.293 179.415 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' J' J ' 28' ' ' PRO . . . . . 0.623 ' HA ' HG12 ' I' ' 3' ' ' VAL . 97.2 Cg_endo -85.22 43.43 1.25 Allowed 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 123.191 2.594 . . . . 0.0 113.377 -178.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' J' J ' 29' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -89.85 135.91 33.36 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.956 0.408 . . . . 0.0 110.31 179.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' J' J ' 30' ' ' THR . . . . . . . . . . . . . 31.5 m . . . . . 0 C--O 1.251 1.16 0 CA-C-O 118.567 -0.73 . . . . 0.0 109.927 179.784 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.822 0 N-CA-C 111.721 -0.552 . . . . 0.0 111.721 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' K' K ' 2' ' ' ILE . . . . . . . . . . . . . 7.3 tt -140.45 -36.27 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.812 0.339 . . . . 0.0 111.311 -179.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' K' K ' 3' ' ' VAL . . . . . 0.601 HG12 ' HA ' ' L' ' 28' ' ' PRO . 23.8 m -61.4 -39.09 81.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 112.559 0.578 . . . . 0.0 112.559 -179.081 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' K' K ' 4' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -81.95 -0.78 45.53 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.025 0.44 . . . . 0.0 111.527 -179.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' K' K ' 5' ' ' GLN . . . . . 0.427 ' HG2' ' SG ' ' K' ' 11' ' ' CYS . 37.8 tt0 -109.69 -39.57 5.08 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 121.171 0.51 . . . . 0.0 110.383 179.782 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' K' K ' 6' ' ' CYS . . . . . . . . . . . . . 72.8 m -90.65 -34.43 15.44 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.355 -178.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' K' K ' 7' ' ' CYS . . . . . 0.608 ' HB2' HD13 ' L' ' 11' ' ' LEU . 13.3 t -91.07 26.75 2.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.183 0.516 . . . . 0.0 111.226 -179.462 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' K' K ' 8' ' ' THR . . . . . . . . . . . . . 6.8 p -126.9 -63.9 1.04 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.715 179.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' K' K ' 9' ' ' SER . . . . . . . . . . . . . 51.0 m -126.89 14.98 7.44 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.259 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' K' K ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 mp 68.85 141.0 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 CA-C-O 121.715 0.769 . . . . 0.0 111.13 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' K' K ' 11' ' ' CYS . . . . . 0.427 ' SG ' ' HG2' ' K' ' 5' ' ' GLN . 88.3 m -95.11 146.67 24.13 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.807 -178.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' K' K ' 12' ' ' SER . . . . . . . . . . . . . 45.1 t -75.35 163.46 27.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.628 178.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' K' K ' 13' ' ' LEU . . . . . . . . . . . . . 9.6 tt -56.88 -44.45 82.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.928 0.394 . . . . 0.0 110.67 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -67.33 -31.18 71.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.255 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' K' K ' 15' ' ' GLN . . . . . 0.528 ' HA ' ' ND2' ' K' ' 18' ' ' ASN . 86.4 mt-30 -71.65 -40.51 69.64 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 178.78 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' K' K ' 16' ' ' LEU . . . . . . . . . . . . . 94.5 mt -63.21 -37.63 87.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.841 179.405 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' K' K ' 17' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -66.41 -21.03 66.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.139 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' K' K ' 18' ' ' ASN . . . . . 0.528 ' ND2' ' HA ' ' K' ' 15' ' ' GLN . 85.7 m-20 -66.3 -32.38 73.75 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 178.613 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' K' K ' 19' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -92.88 -10.84 35.17 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.738 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' K' K ' 20' ' ' CYS . . . . . 0.571 ' HA ' ' HB3' ' L' ' 24' ' ' PHE . 25.2 t -77.36 161.34 28.11 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.517 -179.777 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' K' K ' 21' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.246 0.918 0 CA-C-O 118.634 -0.698 . . . . 0.0 110.57 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' L' L ' 1' ' ' PHE . . . . . . . . . . . . . 37.5 t80 . . . . . 0 N--CA 1.48 1.032 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' L' L ' 2' ' ' VAL . . . . . 0.448 HG23 ' H ' ' L' ' 3' ' ' ASN . 4.5 p -73.95 -176.28 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 179.52 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' L' L ' 3' ' ' ASN . . . . . 0.477 ' O ' ' HB3' ' L' ' 7' ' ' CYS . 24.3 t-20 74.05 -73.29 0.1 Allowed 'General case' 0 C--O 1.213 -0.838 0 C-N-CA 123.108 0.563 . . . . 0.0 109.897 -179.672 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' L' L ' 4' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -58.06 -44.59 87.58 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.847 0.356 . . . . 0.0 111.509 179.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' L' L ' 5' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -70.43 -8.8 53.72 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.749 -179.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' L' L ' 6' ' ' LEU . . . . . 0.401 ' HA ' HD21 ' L' ' 6' ' ' LEU . 29.7 mt -113.24 -30.32 6.97 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.664 0.745 . . . . 0.0 110.15 179.525 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' L' L ' 7' ' ' CYS . . . . . 0.477 ' HB3' ' O ' ' L' ' 3' ' ' ASN . 0.0 OUTLIER -75.64 -41.87 52.97 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.857 -1.065 . . . . 0.0 110.617 -179.389 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' L' L ' 8' ' ' GLY . . . . . 0.578 ' HA2' ' HG ' ' L' ' 11' ' ' LEU . . . -60.17 -27.14 64.65 Favored Glycine 0 C--N 1.331 0.299 0 C-N-CA 121.115 -0.564 . . . . 0.0 112.01 179.197 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' L' L ' 9' ' ' SER . . . . . 0.491 ' HA ' ' HE2' ' J' ' 16' ' ' TYR . 7.5 m -64.07 -19.21 65.07 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.09 0.471 . . . . 0.0 110.932 179.413 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' L' L ' 10' ' ' HIS . . . . . 0.467 ' HA ' ' HG3' ' L' ' 13' ' ' GLU . 98.7 m-70 -108.35 -15.35 14.49 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.484 -179.195 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' L' L ' 11' ' ' LEU . . . . . 0.608 HD13 ' HB2' ' K' ' 7' ' ' CYS . 38.4 mt -68.32 -34.13 75.57 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 177.76 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' L' L ' 12' ' ' VAL . . . . . 0.896 HG22 HG22 ' J' ' 12' ' ' VAL . 2.1 m -68.12 -28.69 41.91 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-N 115.06 -0.973 . . . . 0.0 112.214 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' L' L ' 13' ' ' GLU . . . . . 0.498 ' HG2' ' O ' ' J' ' 9' ' ' SER . 25.9 mt-10 -60.7 -53.69 54.35 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.283 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' L' L ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.13 -27.25 64.42 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.743 179.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' L' L ' 15' ' ' LEU . . . . . 0.618 ' HB2' ' HA ' ' L' ' 12' ' ' VAL . 1.7 mt -56.99 -60.62 3.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.496 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' L' L ' 16' ' ' TYR . . . . . 0.796 ' HB3' ' HE2' ' L' ' 24' ' ' PHE . 0.8 OUTLIER -75.91 -15.5 60.18 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 120.0 -0.68 . . . . 0.0 110.717 -179.289 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' L' L ' 17' ' ' LEU . . . . . 0.757 HD13 ' H5 ' ' E' ' 22' ' ' IPH . 9.1 tt -67.1 -43.32 82.81 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 178.002 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 53.6 t -66.75 -37.78 80.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.495 178.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' L' L ' 19' ' ' CYS . . . . . 1.084 ' HB3' ' HB2' ' L' ' 22' ' ' ARG . 74.2 m -71.74 -17.65 62.18 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.662 179.528 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' L' L ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.31 -95.44 0.96 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 121.014 -0.612 . . . . 0.0 111.606 -179.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' L' L ' 21' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -110.32 3.56 19.97 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-O 120.952 0.406 . . . . 0.0 110.319 178.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' L' L ' 22' ' ' ARG . . . . . 1.084 ' HB2' ' HB3' ' L' ' 19' ' ' CYS . 73.0 mtt180 -79.52 163.9 24.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.938 -0.573 . . . . 0.0 109.898 178.675 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' L' L ' 23' ' ' GLY . . . . . 0.787 ' HA3' HG21 ' J' ' 27' ' ' THR . . . -109.14 -162.4 19.96 Favored Glycine 0 N--CA 1.442 -0.915 0 N-CA-C 110.548 -1.021 . . . . 0.0 110.548 177.466 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' L' L ' 24' ' ' PHE . . . . . 0.796 ' HE2' ' HB3' ' L' ' 16' ' ' TYR . 5.3 p90 -171.87 170.75 5.36 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 117.477 0.638 . . . . 0.0 111.424 179.423 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' L' L ' 25' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -115.25 110.6 19.69 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 177.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' L' L ' 26' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -109.8 118.79 37.43 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.063 -177.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' L' L ' 27' ' ' THR . . . . . 0.766 HG21 ' HA3' ' J' ' 23' ' ' GLY . 4.1 p -123.64 97.09 42.39 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-O 121.265 0.555 . . . . 0.0 110.677 179.436 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' L' L ' 28' ' ' PRO . . . . . 0.601 ' HA ' HG12 ' K' ' 3' ' ' VAL . 97.6 Cg_endo -84.92 44.38 1.45 Allowed 'Trans proline' 0 C--O 1.236 0.419 0 C-N-CA 123.31 2.673 . . . . 0.0 113.297 -178.833 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' L' L ' 29' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -90.2 136.66 32.91 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.075 179.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' L' L ' 30' ' ' THR . . . . . . . . . . . . . 29.5 m . . . . . 0 C--O 1.248 0.992 0 CA-C-O 118.021 -0.99 . . . . 0.0 109.489 179.766 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' IPH . . . . . 0.748 ' H5 ' HD13 ' H' ' 17' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 22' ' ' IPH . . . . . 0.803 ' H5 ' HD13 ' J' ' 17' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 22' ' ' IPH . . . . . 0.757 ' H5 ' HD13 ' L' ' 17' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 22' ' ' IPH . . . . . 0.788 ' H5 ' HD13 ' B' ' 17' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 22' ' ' IPH . . . . . 0.758 ' H5 ' HD13 ' D' ' 17' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' K' K ' 22' ' ' IPH . . . . . 0.763 ' H5 ' HD13 ' F' ' 17' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.534 ' H2 ' ' C ' ' B' ' 30' ' ' THR . . . . . . . . 0 N--CA 1.478 1.48 0 N-CA-C 111.651 -0.58 . . . . 0.0 111.651 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.537 HG22 HG21 ' A' ' 3' ' ' VAL . 14.6 tt 43.18 -78.99 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 C-N-CA 125.006 1.322 . . . . 0.0 114.407 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.633 HG22 ' HB3' ' B' ' 28' ' ' PRO . 6.7 t -53.09 -78.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.074 0.464 . . . . 0.0 111.801 -179.471 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -82.84 44.77 0.94 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 122.017 0.913 . . . . 0.0 110.704 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.419 ' H ' ' C ' ' A' ' 3' ' ' VAL . 22.7 tt0 -128.72 -32.81 2.1 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 113.574 -1.648 . . . . 0.0 107.196 178.513 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.462 ' HA ' ' O ' ' A' ' 9' ' ' SER . 70.1 m -107.9 -22.18 12.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 114.335 -1.302 . . . . 0.0 111.136 -179.617 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 50.5 t -81.41 -36.82 29.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.22 0.533 . . . . 0.0 109.844 179.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.8 p -82.11 -12.89 57.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.388 179.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.475 ' HA ' HG13 ' F' ' 2' ' ' VAL . 6.0 p -167.37 110.53 0.67 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.161 -0.927 . . . . 0.0 108.946 179.761 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.598 HD12 ' HA ' ' F' ' 2' ' ' VAL . 1.8 mp -48.07 124.63 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 123.813 0.695 . . . . 0.0 111.938 -178.31 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.458 ' HB2' HD22 ' A' ' 16' ' ' LEU . 84.6 m -87.43 153.92 21.06 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.486 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.7 t -71.83 155.27 40.6 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 178.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.8 tt -56.11 -36.13 67.85 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.92 0.391 . . . . 0.0 110.444 -179.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -67.5 -34.08 76.4 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.867 179.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.433 ' HA ' ' ND2' ' A' ' 18' ' ' ASN . 84.4 mt-30 -69.93 -42.03 73.82 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 178.534 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.458 HD22 ' HB2' ' A' ' 11' ' ' CYS . 82.4 mt -67.56 -33.67 75.51 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.944 178.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -62.43 -23.18 66.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.014 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.433 ' ND2' ' HA ' ' A' ' 15' ' ' GLN . 76.9 m-20 -65.42 -20.95 66.59 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.986 0.422 . . . . 0.0 110.759 178.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.434 ' HA ' ' CZ ' ' B' ' 25' ' ' PHE . 32.5 m-85 -106.12 12.33 30.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.413 -179.729 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 48.9 t -95.88 106.18 18.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.208 -179.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.457 ' H ' ' HA ' ' B' ' 24' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--O 1.252 1.199 0 CA-C-O 118.073 -0.965 . . . . 0.0 112.416 179.091 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 5.3 t80 . . . . . 0 N--CA 1.48 1.052 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . 0.634 ' O ' ' HG ' ' B' ' 6' ' ' LEU . 18.0 m -65.98 -48.89 80.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -177.123 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . 0.562 ' N ' HG21 ' B' ' 2' ' ' VAL . 3.4 m120 -65.22 -23.87 67.19 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 121.96 -0.462 . . . . 0.0 110.52 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . 0.611 ' HG3' HG13 ' A' ' 3' ' ' VAL . 38.1 tt0 -64.28 -35.87 82.24 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.329 0.585 . . . . 0.0 110.048 178.54 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 68.4 t60 -89.59 -22.15 22.49 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.386 -179.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.634 ' HG ' ' O ' ' B' ' 2' ' ' VAL . 21.8 mt -97.1 -70.82 0.7 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.318 0.58 . . . . 0.0 110.744 -179.6 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 32.3 t -60.89 -35.36 76.45 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.053 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.97 -30.87 64.0 Favored Glycine 0 N--CA 1.45 -0.382 0 CA-C-N 116.076 -0.511 . . . . 0.0 112.95 179.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' SER . . . . . 0.424 ' HB3' ' HG2' ' D' ' 13' ' ' GLU . 15.2 m -72.51 -3.01 21.92 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.692 0.282 . . . . 0.0 111.55 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 -117.19 -11.09 10.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.766 0.317 . . . . 0.0 111.098 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.638 HD21 ' H5 ' ' A' ' 22' ' ' IPH . 46.0 mt -70.2 -23.48 62.95 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 178.284 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.553 HG22 HG22 ' D' ' 12' ' ' VAL . 3.5 m -64.44 -37.89 81.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 114.803 -1.09 . . . . 0.0 111.042 178.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.464 ' O ' ' HG ' ' B' ' 17' ' ' LEU . 29.2 mt-10 -61.75 -37.83 85.7 Favored 'General case' 0 C--O 1.232 0.156 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 179.741 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.85 -47.05 85.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.051 178.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 54.7 mt -64.68 -44.7 89.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.512 0.673 . . . . 0.0 109.997 178.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . 0.42 ' HB2' ' O ' ' B' ' 12' ' ' VAL . 0.7 OUTLIER -54.11 -45.56 71.91 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.659 -1.155 . . . . 0.0 111.993 -179.033 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' B' ' 13' ' ' GLU . 75.3 mt -67.87 -33.39 74.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.132 -179.735 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 72.3 t -71.11 -44.89 74.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.002 178.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . 0.852 ' HB3' ' HB3' ' B' ' 22' ' ' ARG . 77.7 m -67.69 -52.4 38.33 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.986 -179.49 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . 0.473 ' C ' ' H ' ' B' ' 22' ' ' ARG . . . 68.29 86.39 0.09 OUTLIER Glycine 0 CA--C 1.517 0.214 0 C-N-CA 120.721 -0.752 . . . . 0.0 111.907 -179.74 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.465 ' HB2' ' O ' ' B' ' 20' ' ' GLY . 45.2 mt-10 74.99 -26.41 0.19 Allowed 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.533 0.733 . . . . 0.0 111.315 -178.695 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . 0.852 ' HB3' ' HB3' ' B' ' 19' ' ' CYS . 52.5 ttt180 -69.07 126.63 30.4 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 178.575 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . 0.727 ' HA3' ' HA ' ' D' ' 27' ' ' THR . . . -72.84 150.26 44.25 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.179 -1.01 . . . . 0.0 111.868 -179.679 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . 0.457 ' HA ' ' H ' ' A' ' 21' ' ' ASN . 3.9 p90 -123.97 166.09 16.31 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 120.989 0.423 . . . . 0.0 110.447 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . 0.434 ' CZ ' ' HA ' ' A' ' 19' ' ' TYR . 36.4 p90 -114.81 128.97 56.6 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.369 -0.975 . . . . 0.0 108.369 178.533 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -126.6 93.11 3.7 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.663 -178.363 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' THR . . . . . 0.744 ' HA ' ' HA3' ' D' ' 23' ' ' GLY . 16.9 m -126.2 106.34 24.81 Favored Pre-proline 0 C--N 1.317 -0.814 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.629 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . 0.633 ' HB3' HG22 ' A' ' 3' ' ' VAL . 6.5 Cg_exo -74.08 45.32 1.13 Allowed 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 123.505 2.803 . . . . 0.0 111.533 179.67 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.438 ' HB2' HG23 ' B' ' 27' ' ' THR . 28.4 tttp -110.99 4.77 19.81 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.161 -178.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' THR . . . . . 0.534 ' C ' ' H2 ' ' A' ' 1' ' ' GLY . 26.8 m . . . . . 0 C--O 1.247 0.937 0 CA-C-O 117.855 -1.069 . . . . 0.0 108.833 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 1' ' ' GLY . . . . . 0.532 ' H2 ' ' C ' ' D' ' 30' ' ' THR . . . . . . . . 0 N--CA 1.475 1.28 0 N-CA-C 111.796 -0.522 . . . . 0.0 111.796 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 2' ' ' ILE . . . . . 0.524 HG22 HG21 ' C' ' 3' ' ' VAL . 14.4 tt 43.33 -79.5 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 125.033 1.333 . . . . 0.0 114.241 -179.679 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 3' ' ' VAL . . . . . 0.669 HG22 ' HB3' ' D' ' 28' ' ' PRO . 5.6 t -52.2 -78.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 121.149 0.5 . . . . 0.0 111.839 -179.491 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -83.04 44.3 0.92 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 122.143 0.973 . . . . 0.0 110.662 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 5' ' ' GLN . . . . . 0.415 ' H ' ' C ' ' C' ' 3' ' ' VAL . 21.9 tt0 -128.71 -31.27 2.22 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 113.696 -1.593 . . . . 0.0 107.347 178.527 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 6' ' ' CYS . . . . . 0.462 ' HA ' ' O ' ' C' ' 9' ' ' SER . 67.0 m -109.38 -22.06 12.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.33 -1.304 . . . . 0.0 110.99 -179.717 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 7' ' ' CYS . . . . . . . . . . . . . 46.8 t -81.15 -37.43 28.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.256 0.55 . . . . 0.0 109.784 179.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 4.3 p -82.16 -12.33 58.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.55 179.37 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 9' ' ' SER . . . . . 0.498 ' HA ' HG13 ' L' ' 2' ' ' VAL . 11.9 p -167.2 110.37 0.69 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.071 179.533 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . 0.61 HD12 ' HA ' ' L' ' 2' ' ' VAL . 1.8 mp -48.07 124.61 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 123.55 0.531 . . . . 0.0 111.803 -178.42 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 11' ' ' CYS . . . . . 0.455 ' HB2' HD22 ' C' ' 16' ' ' LEU . 84.4 m -87.3 153.49 21.43 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.553 179.686 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 35.7 t -71.07 155.54 40.68 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 178.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 9.8 tt -56.36 -36.37 68.73 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.988 0.423 . . . . 0.0 110.204 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -67.3 -34.33 77.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.831 179.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -69.53 -42.45 74.65 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 178.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 16' ' ' LEU . . . . . 0.455 HD22 ' HB2' ' C' ' 11' ' ' CYS . 83.5 mt -67.49 -33.23 74.68 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.143 179.045 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -62.89 -22.89 67.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.035 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -66.4 -19.51 65.82 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.85 0.357 . . . . 0.0 110.59 179.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -107.22 12.4 28.33 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.094 0.473 . . . . 0.0 109.998 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 48.7 t -96.3 105.62 17.72 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.1 -179.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 21' ' ' ASN . . . . . 0.452 ' H ' ' HA ' ' D' ' 24' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--O 1.248 1.01 0 CA-C-O 117.945 -1.026 . . . . 0.0 112.45 179.2 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 5.3 t80 . . . . . 0 N--CA 1.477 0.901 0 CA-C-O 120.87 0.367 . . . . 0.0 111.796 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 2' ' ' VAL . . . . . 0.631 ' O ' ' HG ' ' D' ' 6' ' ' LEU . 18.5 m -67.04 -48.91 77.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 -177.315 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 3' ' ' ASN . . . . . 0.578 ' N ' HG21 ' D' ' 2' ' ' VAL . 3.0 m120 -65.65 -23.29 66.76 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 122.111 -0.368 . . . . 0.0 110.404 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 4' ' ' GLN . . . . . 0.614 ' HG3' HG13 ' C' ' 3' ' ' VAL . 38.1 tt0 -64.43 -35.65 81.59 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.397 0.618 . . . . 0.0 110.053 178.543 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 5' ' ' HIS . . . . . . . . . . . . . 69.0 t60 -90.2 -21.92 21.93 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.442 -179.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 6' ' ' LEU . . . . . 0.631 ' HG ' ' O ' ' D' ' 2' ' ' VAL . 23.2 mt -96.9 -70.49 0.72 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.249 0.547 . . . . 0.0 110.761 -179.62 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 7' ' ' CYS . . . . . . . . . . . . . 28.6 t -61.25 -34.95 75.99 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.316 -0.856 . . . . 0.0 111.175 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 8' ' ' GLY . . . . . . . . . . . . . . . -58.4 -31.27 66.09 Favored Glycine 0 C--N 1.329 0.193 0 CA-C-N 116.14 -0.482 . . . . 0.0 112.811 179.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 9' ' ' SER . . . . . 0.413 ' HB3' ' HG2' ' B' ' 13' ' ' GLU . 15.1 m -71.82 -3.47 22.41 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.754 0.311 . . . . 0.0 111.507 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 10' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 -116.74 -11.16 10.98 Favored 'General case' 0 CA--C 1.517 -0.309 0 O-C-N 122.115 -0.365 . . . . 0.0 111.33 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 11' ' ' LEU . . . . . 0.624 HD21 ' H5 ' ' C' ' 22' ' ' IPH . 44.0 mt -70.12 -23.41 63.02 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 178.2 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . 0.553 HG22 HG22 ' B' ' 12' ' ' VAL . 3.4 m -64.72 -37.72 80.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 114.781 -1.099 . . . . 0.0 110.959 178.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 13' ' ' GLU . . . . . 0.445 ' O ' ' HG ' ' D' ' 17' ' ' LEU . 29.3 mt-10 -61.76 -38.02 86.45 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 179.749 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.8 -46.49 87.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.011 178.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 55.3 mt -65.16 -44.59 88.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.583 0.706 . . . . 0.0 110.05 178.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 16' ' ' TYR . . . . . 0.428 ' HB2' ' O ' ' D' ' 12' ' ' VAL . 0.8 OUTLIER -53.93 -46.24 71.45 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.515 -1.221 . . . . 0.0 111.84 -179.13 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' D' ' 13' ' ' GLU . 77.2 mt -67.77 -31.66 71.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.234 -179.539 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 69.0 t -73.28 -44.49 55.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.375 0.607 . . . . 0.0 109.771 179.188 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 19' ' ' CYS . . . . . 0.866 ' HB3' ' HB3' ' D' ' 22' ' ' ARG . 78.1 m -67.7 -52.44 37.75 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.797 -179.687 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 20' ' ' GLY . . . . . 0.474 ' C ' ' H ' ' D' ' 22' ' ' ARG . . . 68.15 86.18 0.1 OUTLIER Glycine 0 CA--C 1.518 0.278 0 C-N-CA 120.719 -0.753 . . . . 0.0 111.928 -179.754 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 21' ' ' GLU . . . . . 0.465 ' HB2' ' O ' ' D' ' 20' ' ' GLY . 44.3 mt-10 75.87 -27.78 0.18 Allowed 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.522 0.729 . . . . 0.0 111.008 -178.631 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 22' ' ' ARG . . . . . 0.866 ' HB3' ' HB3' ' D' ' 19' ' ' CYS . 52.4 ttt180 -68.23 125.78 27.48 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 178.679 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 23' ' ' GLY . . . . . 0.744 ' HA3' ' HA ' ' B' ' 27' ' ' THR . . . -72.03 150.69 46.25 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.144 -1.027 . . . . 0.0 111.791 -179.704 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 24' ' ' PHE . . . . . 0.452 ' HA ' ' H ' ' C' ' 21' ' ' ASN . 3.7 p90 -124.23 166.06 16.53 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 120.959 0.409 . . . . 0.0 110.511 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 25' ' ' PHE . . . . . . . . . . . . . 37.1 p90 -115.06 128.17 56.07 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 178.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 26' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -126.12 92.46 3.59 Favored 'General case' 0 C--N 1.319 -0.732 0 C-N-CA 120.257 -0.577 . . . . 0.0 110.724 -178.186 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 27' ' ' THR . . . . . 0.727 ' HA ' ' HA3' ' B' ' 23' ' ' GLY . 23.3 m -125.7 106.39 26.45 Favored Pre-proline 0 C--N 1.32 -0.711 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.613 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 28' ' ' PRO . . . . . 0.669 ' HB3' HG22 ' C' ' 3' ' ' VAL . 6.0 Cg_exo -74.64 48.48 1.91 Allowed 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 123.412 2.741 . . . . 0.0 111.098 179.479 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 29' ' ' LYS . . . . . 0.453 ' HB2' HG23 ' D' ' 27' ' ' THR . 29.0 tttp -113.28 2.55 15.58 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.451 0.643 . . . . 0.0 109.681 -179.067 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 30' ' ' THR . . . . . 0.532 ' C ' ' H2 ' ' C' ' 1' ' ' GLY . 44.9 m . . . . . 0 C--O 1.248 0.982 0 CA-C-O 118.507 -0.759 . . . . 0.0 109.512 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 1' ' ' GLY . . . . . 0.543 ' H2 ' ' C ' ' F' ' 30' ' ' THR . . . . . . . . 0 N--CA 1.474 1.21 0 N-CA-C 111.403 -0.679 . . . . 0.0 111.403 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 2' ' ' ILE . . . . . 0.512 HG22 HG21 ' E' ' 3' ' ' VAL . 14.4 tt 42.58 -78.93 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 N-CA-C 114.617 1.34 . . . . 0.0 114.617 -179.721 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 3' ' ' VAL . . . . . 0.644 HG22 ' HB3' ' F' ' 28' ' ' PRO . 5.5 t -52.79 -79.14 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-O 121.133 0.492 . . . . 0.0 111.721 -179.528 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 4' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -82.31 44.84 0.9 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 122.197 0.999 . . . . 0.0 110.819 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 5' ' ' GLN . . . . . 0.42 ' H ' ' C ' ' E' ' 3' ' ' VAL . 22.1 tt0 -128.98 -32.26 2.08 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 113.649 -1.614 . . . . 0.0 107.162 178.4 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 6' ' ' CYS . . . . . 0.474 ' HA ' ' O ' ' E' ' 9' ' ' SER . 68.7 m -108.57 -22.24 12.36 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.246 -1.343 . . . . 0.0 111.264 -179.524 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 7' ' ' CYS . . . . . . . . . . . . . 48.3 t -81.01 -37.87 28.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.367 0.603 . . . . 0.0 109.687 179.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 4.0 p -81.03 -13.88 58.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.541 179.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 9' ' ' SER . . . . . 0.485 ' HA ' HG13 ' J' ' 2' ' ' VAL . 12.2 p -166.22 111.02 0.81 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.085 179.423 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 10' ' ' ILE . . . . . 0.578 HD12 ' HA ' ' J' ' 2' ' ' VAL . 1.8 mp -48.15 125.93 2.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 O-C-N 123.729 0.643 . . . . 0.0 111.639 -178.314 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 11' ' ' CYS . . . . . 0.452 ' HB2' HD22 ' E' ' 16' ' ' LEU . 84.8 m -89.14 153.33 21.04 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.396 179.73 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 12' ' ' SER . . . . . . . . . . . . . 42.7 t -70.4 154.94 41.34 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.009 -0.738 . . . . 0.0 109.009 178.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 9.9 tt -56.2 -35.58 67.43 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.002 0.429 . . . . 0.0 110.097 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -68.22 -34.62 76.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.902 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -69.42 -42.38 75.11 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 178.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 16' ' ' LEU . . . . . 0.452 HD22 ' HB2' ' E' ' 11' ' ' CYS . 81.2 mt -67.32 -33.57 75.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.997 178.771 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 17' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -62.43 -22.83 66.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.098 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 18' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -66.59 -19.43 65.77 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.972 0.415 . . . . 0.0 110.691 179.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 19' ' ' TYR . . . . . 0.404 ' HA ' ' CZ ' ' F' ' 25' ' ' PHE . 29.8 m-85 -106.66 11.49 30.33 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.103 0.478 . . . . 0.0 110.259 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 20' ' ' CYS . . . . . . . . . . . . . 48.9 t -95.35 106.36 18.41 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.205 -179.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 21' ' ' ASN . . . . . 0.451 ' H ' ' HA ' ' F' ' 24' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--O 1.248 0.978 0 CA-C-O 117.877 -1.058 . . . . 0.0 112.299 179.013 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' F' F ' 1' ' ' PHE . . . . . . . . . . . . . 5.2 t80 . . . . . 0 N--CA 1.48 1.063 0 CA-C-O 120.822 0.344 . . . . 0.0 111.684 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' F' F ' 2' ' ' VAL . . . . . 0.635 ' O ' ' HG ' ' F' ' 6' ' ' LEU . 17.6 m -66.48 -48.55 80.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 113.32 0.859 . . . . 0.0 113.32 -177.441 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' F' F ' 3' ' ' ASN . . . . . 0.559 ' N ' HG21 ' F' ' 2' ' ' VAL . 2.7 m120 -65.4 -23.23 66.91 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 122.004 -0.435 . . . . 0.0 110.665 179.711 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' F' F ' 4' ' ' GLN . . . . . 0.582 ' HG3' HG13 ' E' ' 3' ' ' VAL . 37.9 tt0 -64.62 -36.14 83.28 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.212 0.529 . . . . 0.0 110.208 178.323 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' F' F ' 5' ' ' HIS . . . . . . . . . . . . . 69.9 t60 -89.76 -22.07 22.34 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.326 -179.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 6' ' ' LEU . . . . . 0.635 ' HG ' ' O ' ' F' ' 2' ' ' VAL . 22.9 mt -96.59 -70.96 0.7 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.321 0.581 . . . . 0.0 110.717 -179.733 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' F' F ' 7' ' ' CYS . . . . . . . . . . . . . 29.1 t -60.82 -35.39 76.38 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.13 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.94 -30.87 63.93 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 121.375 -0.441 . . . . 0.0 112.913 179.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 9' ' ' SER . . . . . 0.442 ' HB3' ' HG2' ' H' ' 13' ' ' GLU . 15.3 m -72.18 -3.77 25.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.591 0.234 . . . . 0.0 111.582 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' F' F ' 10' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 -116.33 -11.22 11.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.892 0.377 . . . . 0.0 111.221 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 11' ' ' LEU . . . . . 0.649 HD21 ' H5 ' ' E' ' 22' ' ' IPH . 44.6 mt -70.06 -23.39 63.08 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 178.239 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' F' F ' 12' ' ' VAL . . . . . 0.576 HG22 HG22 ' H' ' 12' ' ' VAL . 3.5 m -64.7 -38.0 81.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 114.805 -1.089 . . . . 0.0 111.075 178.705 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' F' F ' 13' ' ' GLU . . . . . 0.445 ' O ' ' HG ' ' F' ' 17' ' ' LEU . 29.2 mt-10 -61.4 -38.16 86.06 Favored 'General case' 0 CA--C 1.52 -0.204 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 179.784 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' F' F ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.86 -46.53 87.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.039 178.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 15' ' ' LEU . . . . . . . . . . . . . 56.3 mt -65.08 -44.74 87.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.684 0.754 . . . . 0.0 109.952 178.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 16' ' ' TYR . . . . . 0.428 ' HB2' ' O ' ' F' ' 12' ' ' VAL . 0.7 OUTLIER -53.75 -46.12 70.8 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.369 -1.287 . . . . 0.0 111.874 -179.105 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' F' F ' 17' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' F' ' 13' ' ' GLU . 79.3 mt -67.8 -33.31 74.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.971 -179.589 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 73.6 t -70.72 -45.53 73.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 121.053 0.454 . . . . 0.0 110.068 178.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 19' ' ' CYS . . . . . 0.875 ' HB3' ' HB3' ' F' ' 22' ' ' ARG . 75.7 m -66.81 -52.92 38.21 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.011 -179.581 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' F' F ' 20' ' ' GLY . . . . . 0.472 ' O ' ' HB2' ' F' ' 21' ' ' GLU . . . 68.64 85.38 0.11 Allowed Glycine 0 CA--C 1.52 0.355 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.022 -179.746 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' F' F ' 21' ' ' GLU . . . . . 0.472 ' HB2' ' O ' ' F' ' 20' ' ' GLY . 42.1 mt-10 76.39 -25.83 0.2 Allowed 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.588 0.755 . . . . 0.0 111.071 -178.809 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' F' F ' 22' ' ' ARG . . . . . 0.875 ' HB3' ' HB3' ' F' ' 19' ' ' CYS . 54.2 ttt180 -69.94 126.32 29.36 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 178.749 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' F' F ' 23' ' ' GLY . . . . . 0.736 ' HA3' ' HA ' ' H' ' 27' ' ' THR . . . -72.59 149.86 44.07 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.133 -1.032 . . . . 0.0 111.833 -179.587 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' F' F ' 24' ' ' PHE . . . . . 0.451 ' HA ' ' H ' ' E' ' 21' ' ' ASN . 4.0 p90 -123.49 166.86 14.68 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.005 0.431 . . . . 0.0 110.442 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' F' F ' 25' ' ' PHE . . . . . 0.404 ' CZ ' ' HA ' ' E' ' 19' ' ' TYR . 37.5 p90 -115.76 128.29 55.75 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 178.537 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' F' F ' 26' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -126.26 92.32 3.55 Favored 'General case' 0 C--N 1.318 -0.798 0 C-N-CA 120.298 -0.561 . . . . 0.0 110.844 -178.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 27' ' ' THR . . . . . 0.749 ' HA ' ' HA3' ' H' ' 23' ' ' GLY . 19.8 m -125.52 106.31 27.06 Favored Pre-proline 0 C--N 1.317 -0.833 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.515 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' F' F ' 28' ' ' PRO . . . . . 0.644 ' HB3' HG22 ' E' ' 3' ' ' VAL . 6.5 Cg_exo -74.06 44.76 1.04 Allowed 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 123.504 2.802 . . . . 0.0 111.567 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' F' F ' 29' ' ' LYS . . . . . 0.453 ' HB2' HG23 ' F' ' 27' ' ' THR . 28.1 tttp -109.9 3.54 20.68 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.166 -179.002 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' F' F ' 30' ' ' THR . . . . . 0.543 ' C ' ' H2 ' ' E' ' 1' ' ' GLY . 33.0 m . . . . . 0 C--O 1.247 0.937 0 CA-C-O 118.148 -0.93 . . . . 0.0 108.923 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 1' ' ' GLY . . . . . 0.579 ' H2 ' ' C ' ' H' ' 30' ' ' THR . . . . . . . . 0 N--CA 1.48 1.581 0 CA-C-O 119.96 -0.355 . . . . 0.0 112.459 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 2' ' ' ILE . . . . . 0.526 HG22 HG21 ' G' ' 3' ' ' VAL . 14.8 tt 43.1 -80.32 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 N-CA-C 114.376 1.25 . . . . 0.0 114.376 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' G' G ' 3' ' ' VAL . . . . . 0.658 HG22 ' HB3' ' H' ' 28' ' ' PRO . 5.9 t -51.48 -77.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-O 121.311 0.577 . . . . 0.0 111.697 -179.243 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' G' G ' 4' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -83.45 45.56 1.06 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 122.043 0.925 . . . . 0.0 110.486 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 5' ' ' GLN . . . . . 0.403 ' H ' ' C ' ' G' ' 3' ' ' VAL . 21.4 tt0 -130.69 -31.81 1.74 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 113.681 -1.599 . . . . 0.0 107.324 178.566 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' G' G ' 6' ' ' CYS . . . . . 0.461 ' HA ' ' O ' ' G' ' 9' ' ' SER . 72.2 m -108.76 -22.32 12.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 114.238 -1.346 . . . . 0.0 111.038 -179.578 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' G' G ' 7' ' ' CYS . . . . . . . . . . . . . 48.9 t -81.24 -37.41 28.63 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.218 0.532 . . . . 0.0 109.684 179.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 8' ' ' THR . . . . . . . . . . . . . 3.3 p -81.29 -13.85 58.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.516 179.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 9' ' ' SER . . . . . 0.485 ' HA ' HG13 ' D' ' 2' ' ' VAL . 10.8 p -166.37 110.72 0.79 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.216 -0.902 . . . . 0.0 109.002 179.574 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' G' G ' 10' ' ' ILE . . . . . 0.591 HD12 ' HA ' ' D' ' 2' ' ' VAL . 1.8 mp -48.03 124.49 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 O-C-N 123.608 0.567 . . . . 0.0 111.902 -178.086 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' G' G ' 11' ' ' CYS . . . . . 0.46 ' HB2' HD22 ' G' ' 16' ' ' LEU . 87.1 m -87.14 154.13 20.98 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.586 179.789 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' G' G ' 12' ' ' SER . . . . . . . . . . . . . 41.6 t -71.71 155.14 40.81 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 178.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 13' ' ' LEU . . . . . . . . . . . . . 9.9 tt -56.54 -34.7 67.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.014 0.435 . . . . 0.0 110.356 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -69.12 -33.25 73.17 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.809 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 15' ' ' GLN . . . . . 0.405 ' HA ' ' ND2' ' G' ' 18' ' ' ASN . 84.1 mt-30 -70.52 -42.93 70.6 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 178.508 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' G' G ' 16' ' ' LEU . . . . . 0.46 HD22 ' HB2' ' G' ' 11' ' ' CYS . 81.2 mt -67.02 -32.76 74.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.115 178.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' G' G ' 17' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -62.93 -23.58 67.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.993 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 18' ' ' ASN . . . . . 0.405 ' ND2' ' HA ' ' G' ' 15' ' ' GLN . 80.7 m-20 -65.39 -21.82 66.72 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.874 0.369 . . . . 0.0 110.684 179.284 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' G' G ' 19' ' ' TYR . . . . . 0.409 ' HA ' ' CZ ' ' H' ' 25' ' ' PHE . 33.2 m-85 -104.76 11.89 33.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.481 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' G' G ' 20' ' ' CYS . . . . . . . . . . . . . 48.8 t -95.61 106.14 18.2 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.281 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 21' ' ' ASN . . . . . 0.45 ' H ' ' HA ' ' H' ' 24' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.065 0 CA-C-O 117.9 -1.048 . . . . 0.0 112.286 179.131 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' H' H ' 1' ' ' PHE . . . . . . . . . . . . . 5.1 t80 . . . . . 0 N--CA 1.482 1.139 0 CA-C-O 120.812 0.339 . . . . 0.0 111.397 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' H' H ' 2' ' ' VAL . . . . . 0.657 ' O ' ' HG ' ' H' ' 6' ' ' LEU . 18.7 m -66.25 -48.26 81.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 -177.272 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' H' H ' 3' ' ' ASN . . . . . 0.576 ' N ' HG21 ' H' ' 2' ' ' VAL . 2.8 m120 -65.91 -22.65 66.51 Favored 'General case' 0 CA--C 1.516 -0.337 0 O-C-N 122.029 -0.42 . . . . 0.0 110.528 179.781 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' H' H ' 4' ' ' GLN . . . . . 0.632 ' HG3' HG13 ' G' ' 3' ' ' VAL . 38.6 tt0 -65.19 -35.25 80.48 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.176 0.512 . . . . 0.0 110.069 178.418 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' H' H ' 5' ' ' HIS . . . . . . . . . . . . . 70.2 t60 -90.55 -21.53 21.73 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.247 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 6' ' ' LEU . . . . . 0.657 ' HG ' ' O ' ' H' ' 2' ' ' VAL . 22.4 mt -97.41 -70.45 0.72 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.282 0.563 . . . . 0.0 110.736 -179.537 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' H' H ' 7' ' ' CYS . . . . . . . . . . . . . 30.5 t -61.15 -35.77 77.99 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.131 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.59 -31.4 63.51 Favored Glycine 0 C--N 1.331 0.254 0 CA-C-N 116.133 -0.485 . . . . 0.0 112.813 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 9' ' ' SER . . . . . 0.412 ' HB3' ' HG2' ' F' ' 13' ' ' GLU . 15.3 m -71.57 -3.82 23.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.725 0.298 . . . . 0.0 111.785 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' H' H ' 10' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 -116.55 -11.25 11.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.809 0.338 . . . . 0.0 111.154 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 11' ' ' LEU . . . . . 0.634 HD21 ' H5 ' ' G' ' 22' ' ' IPH . 44.9 mt -69.94 -23.28 63.17 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 178.352 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' H' H ' 12' ' ' VAL . . . . . 0.576 HG22 HG22 ' F' ' 12' ' ' VAL . 3.6 m -64.99 -37.74 81.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 114.822 -1.081 . . . . 0.0 111.014 178.767 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' H' H ' 13' ' ' GLU . . . . . 0.458 ' O ' ' HG ' ' H' ' 17' ' ' LEU . 29.7 mt-10 -61.83 -37.9 86.15 Favored 'General case' 0 CA--C 1.522 -0.13 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' H' H ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.72 -46.66 87.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.033 178.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 15' ' ' LEU . . . . . . . . . . . . . 53.8 mt -65.0 -44.92 87.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.614 0.721 . . . . 0.0 109.971 178.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 16' ' ' TYR . . . . . 0.426 ' HB2' ' O ' ' H' ' 12' ' ' VAL . 0.7 OUTLIER -53.79 -45.78 70.84 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.47 -1.241 . . . . 0.0 111.895 -179.038 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' H' H ' 17' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' H' ' 13' ' ' GLU . 79.4 mt -68.02 -32.8 73.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.996 -179.594 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 73.3 t -71.66 -44.39 69.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.056 0.455 . . . . 0.0 110.039 179.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 19' ' ' CYS . . . . . 0.854 ' HB3' ' HB3' ' H' ' 22' ' ' ARG . 74.7 m -68.19 -51.63 43.55 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.014 -179.595 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' H' H ' 20' ' ' GLY . . . . . 0.468 ' C ' ' H ' ' H' ' 22' ' ' ARG . . . 67.3 86.52 0.08 OUTLIER Glycine 0 CA--C 1.52 0.358 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.052 -179.708 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' H' H ' 21' ' ' GLU . . . . . 0.463 ' HB2' ' O ' ' H' ' 20' ' ' GLY . 42.2 mt-10 75.45 -26.35 0.19 Allowed 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.623 0.769 . . . . 0.0 111.085 -178.62 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' H' H ' 22' ' ' ARG . . . . . 0.854 ' HB3' ' HB3' ' H' ' 19' ' ' CYS . 53.6 ttt180 -69.51 126.22 29.08 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 178.795 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' H' H ' 23' ' ' GLY . . . . . 0.749 ' HA3' ' HA ' ' F' ' 27' ' ' THR . . . -72.19 151.07 46.52 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.197 -1.002 . . . . 0.0 111.766 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' H' H ' 24' ' ' PHE . . . . . 0.45 ' HA ' ' H ' ' G' ' 21' ' ' ASN . 3.8 p90 -124.94 166.24 16.65 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.025 0.441 . . . . 0.0 110.325 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' H' H ' 25' ' ' PHE . . . . . 0.409 ' CZ ' ' HA ' ' G' ' 19' ' ' TYR . 37.3 p90 -115.24 128.17 55.97 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 178.532 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' H' H ' 26' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -125.88 92.18 3.54 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.854 -178.353 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 27' ' ' THR . . . . . 0.736 ' HA ' ' HA3' ' F' ' 23' ' ' GLY . 22.4 m -125.72 106.2 26.46 Favored Pre-proline 0 C--N 1.315 -0.908 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.505 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' H' H ' 28' ' ' PRO . . . . . 0.658 ' HB3' HG22 ' G' ' 3' ' ' VAL . 6.4 Cg_exo -74.24 46.93 1.46 Allowed 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 123.491 2.794 . . . . 0.0 111.231 179.709 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' H' H ' 29' ' ' LYS . . . . . 0.436 ' HB2' HG23 ' H' ' 27' ' ' THR . 29.4 tttp -112.29 4.63 17.83 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.04 -179.056 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' H' H ' 30' ' ' THR . . . . . 0.579 ' C ' ' H2 ' ' G' ' 1' ' ' GLY . 34.6 m . . . . . 0 C--O 1.246 0.905 0 CA-C-O 117.987 -1.006 . . . . 0.0 108.848 179.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 1' ' ' GLY . . . . . 0.558 ' H2 ' ' C ' ' J' ' 30' ' ' THR . . . . . . . . 0 N--CA 1.474 1.177 0 N-CA-C 111.618 -0.593 . . . . 0.0 111.618 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 2' ' ' ILE . . . . . 0.54 HG22 HG21 ' I' ' 3' ' ' VAL . 14.5 tt 43.51 -79.06 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 125.059 1.344 . . . . 0.0 114.233 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' I' I ' 3' ' ' VAL . . . . . 0.64 HG22 ' HB3' ' J' ' 28' ' ' PRO . 5.0 t -52.85 -78.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.3 0 CA-C-O 120.977 0.417 . . . . 0.0 111.729 -179.497 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' I' I ' 4' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -83.02 45.94 1.06 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 122.377 1.085 . . . . 0.0 110.718 179.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 5' ' ' GLN . . . . . 0.408 ' H ' ' C ' ' I' ' 3' ' ' VAL . 22.5 tt0 -130.05 -32.2 1.85 Allowed 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 113.462 -1.699 . . . . 0.0 107.332 178.325 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' I' I ' 6' ' ' CYS . . . . . 0.471 ' HA ' ' O ' ' I' ' 9' ' ' SER . 69.0 m -108.14 -23.17 12.08 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 114.339 -1.3 . . . . 0.0 111.074 -179.802 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' I' I ' 7' ' ' CYS . . . . . . . . . . . . . 47.1 t -80.27 -38.23 31.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.304 0.574 . . . . 0.0 109.749 179.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 8' ' ' THR . . . . . . . . . . . . . 3.6 p -81.01 -13.12 59.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.623 179.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 9' ' ' SER . . . . . 0.493 ' HA ' HG13 ' B' ' 2' ' ' VAL . 10.2 p -166.87 110.93 0.74 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.26 -0.882 . . . . 0.0 108.92 179.604 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' I' I ' 10' ' ' ILE . . . . . 0.601 HD12 ' HA ' ' B' ' 2' ' ' VAL . 1.8 mp -48.45 125.01 2.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.249 0.547 . . . . 0.0 111.749 -178.182 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' I' I ' 11' ' ' CYS . . . . . 0.462 ' HB2' HD22 ' I' ' 16' ' ' LEU . 85.2 m -87.57 153.13 21.64 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.218 179.747 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' I' I ' 12' ' ' SER . . . . . . . . . . . . . 44.4 t -70.86 155.85 40.3 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 178.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 13' ' ' LEU . . . . . . . . . . . . . 9.9 tt -56.63 -35.96 68.93 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.025 0.441 . . . . 0.0 110.242 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -67.89 -33.13 74.13 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.989 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 15' ' ' GLN . . . . . 0.424 ' HA ' ' ND2' ' I' ' 18' ' ' ASN . 83.0 mt-30 -70.83 -42.11 70.62 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 178.494 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' I' I ' 16' ' ' LEU . . . . . 0.462 HD22 ' HB2' ' I' ' 11' ' ' CYS . 80.4 mt -67.51 -33.93 76.08 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.02 178.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' I' I ' 17' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -61.87 -23.27 66.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.192 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 18' ' ' ASN . . . . . 0.424 ' ND2' ' HA ' ' I' ' 15' ' ' GLN . 80.0 m-20 -65.83 -21.29 66.47 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.952 0.406 . . . . 0.0 110.679 179.241 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' I' I ' 19' ' ' TYR . . . . . 0.412 ' HA ' ' CZ ' ' J' ' 25' ' ' PHE . 30.3 m-85 -105.7 12.45 31.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.402 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' I' I ' 20' ' ' CYS . . . . . . . . . . . . . 48.7 t -95.7 106.54 18.66 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.893 -179.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 21' ' ' ASN . . . . . 0.457 ' H ' ' HA ' ' J' ' 24' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--O 1.248 1.002 0 CA-C-O 117.957 -1.02 . . . . 0.0 112.567 179.313 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' J' J ' 1' ' ' PHE . . . . . . . . . . . . . 5.2 t80 . . . . . 0 N--CA 1.481 1.112 0 CA-C-O 120.814 0.34 . . . . 0.0 111.593 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' J' J ' 2' ' ' VAL . . . . . 0.641 ' O ' ' HG ' ' J' ' 6' ' ' LEU . 17.0 m -66.84 -48.87 78.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 113.164 0.802 . . . . 0.0 113.164 -177.372 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' J' J ' 3' ' ' ASN . . . . . 0.573 ' N ' HG21 ' J' ' 2' ' ' VAL . 2.8 m120 -65.0 -23.51 67.24 Favored 'General case' 0 C--N 1.328 -0.341 0 O-C-N 122.033 -0.417 . . . . 0.0 110.562 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' J' J ' 4' ' ' GLN . . . . . 0.592 ' HG3' HG13 ' I' ' 3' ' ' VAL . 37.5 tt0 -64.38 -36.07 82.95 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.213 0.53 . . . . 0.0 110.223 178.33 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' J' J ' 5' ' ' HIS . . . . . . . . . . . . . 69.4 t60 -89.76 -22.18 22.29 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.376 -179.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' J' J ' 6' ' ' LEU . . . . . 0.641 ' HG ' ' O ' ' J' ' 2' ' ' VAL . 21.9 mt -96.72 -70.5 0.71 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.386 0.612 . . . . 0.0 110.816 -179.582 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' J' J ' 7' ' ' CYS . . . . . . . . . . . . . 31.5 t -61.15 -35.59 77.52 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.069 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' J' J ' 8' ' ' GLY . . . . . . . . . . . . . . . -58.25 -30.39 64.25 Favored Glycine 0 N--CA 1.453 -0.217 0 CA-C-N 116.055 -0.52 . . . . 0.0 112.949 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' J' J ' 9' ' ' SER . . . . . 0.418 ' HB3' ' HG2' ' L' ' 13' ' ' GLU . 15.1 m -72.73 -2.87 22.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.705 0.288 . . . . 0.0 111.511 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' J' J ' 10' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -117.14 -11.0 10.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.809 0.338 . . . . 0.0 111.32 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' J' J ' 11' ' ' LEU . . . . . 0.631 HD21 ' H5 ' ' I' ' 22' ' ' IPH . 45.5 mt -70.3 -23.78 62.91 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 178.044 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' J' J ' 12' ' ' VAL . . . . . 0.577 HG22 HG22 ' L' ' 12' ' ' VAL . 3.5 m -64.22 -37.75 80.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 114.842 -1.072 . . . . 0.0 111.082 178.707 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' J' J ' 13' ' ' GLU . . . . . 0.468 ' O ' ' HG ' ' J' ' 17' ' ' LEU . 29.2 mt-10 -61.85 -37.76 85.68 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-O 121.239 0.542 . . . . 0.0 109.54 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' J' J ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.19 -46.57 86.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.327 -0.852 . . . . 0.0 110.037 178.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' J' J ' 15' ' ' LEU . . . . . . . . . . . . . 53.5 mt -64.94 -44.56 89.07 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.557 0.694 . . . . 0.0 109.986 178.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' J' J ' 16' ' ' TYR . . . . . 0.425 ' HB2' ' O ' ' J' ' 12' ' ' VAL . 0.8 OUTLIER -53.99 -45.71 71.51 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.513 -1.221 . . . . 0.0 112.076 -178.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' J' J ' 17' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' J' ' 13' ' ' GLU . 74.8 mt -68.47 -31.97 71.64 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.056 -179.627 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 73.7 t -72.39 -43.93 63.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.211 0.529 . . . . 0.0 109.944 178.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' J' J ' 19' ' ' CYS . . . . . 0.831 ' HB3' ' HB3' ' J' ' 22' ' ' ARG . 78.2 m -68.35 -51.53 43.3 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.896 -179.587 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' J' J ' 20' ' ' GLY . . . . . 0.467 ' O ' ' HB2' ' J' ' 21' ' ' GLU . . . 67.3 86.15 0.09 OUTLIER Glycine 0 CA--C 1.518 0.245 0 C-N-CA 120.831 -0.7 . . . . 0.0 111.958 -179.74 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' J' J ' 21' ' ' GLU . . . . . 0.467 ' HB2' ' O ' ' J' ' 20' ' ' GLY . 44.2 mt-10 75.84 -27.45 0.18 Allowed 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.493 0.717 . . . . 0.0 111.069 -178.56 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' J' J ' 22' ' ' ARG . . . . . 0.831 ' HB3' ' HB3' ' J' ' 19' ' ' CYS . 52.9 ttt180 -68.57 125.86 27.84 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 178.739 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' J' J ' 23' ' ' GLY . . . . . 0.729 ' HA3' ' HA ' ' L' ' 27' ' ' THR . . . -72.08 150.58 46.0 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.186 -1.006 . . . . 0.0 111.821 -179.62 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' J' J ' 24' ' ' PHE . . . . . 0.457 ' HA ' ' H ' ' I' ' 21' ' ' ASN . 4.1 p90 -124.17 166.5 15.72 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.943 0.402 . . . . 0.0 110.483 179.789 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' J' J ' 25' ' ' PHE . . . . . 0.412 ' CZ ' ' HA ' ' I' ' 19' ' ' TYR . 37.5 p90 -115.62 127.47 55.23 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 178.536 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' J' J ' 26' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -125.57 93.33 3.82 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.158 0.504 . . . . 0.0 110.802 -178.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' J' J ' 27' ' ' THR . . . . . 0.744 ' HA ' ' HA3' ' L' ' 23' ' ' GLY . 19.8 m -126.25 105.48 24.92 Favored Pre-proline 0 C--N 1.316 -0.86 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.55 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' J' J ' 28' ' ' PRO . . . . . 0.64 ' HB3' HG22 ' I' ' 3' ' ' VAL . 6.2 Cg_exo -74.07 48.34 1.71 Allowed 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 123.405 2.737 . . . . 0.0 111.165 179.445 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' J' J ' 29' ' ' LYS . . . . . 0.454 ' HB2' HG23 ' J' ' 27' ' ' THR . 28.5 tttp -113.08 2.21 15.61 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.821 -179.183 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' J' J ' 30' ' ' THR . . . . . 0.558 ' C ' ' H2 ' ' I' ' 1' ' ' GLY . 36.9 m . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.175 -0.917 . . . . 0.0 109.137 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' K' K ' 1' ' ' GLY . . . . . 0.535 ' H2 ' ' C ' ' L' ' 30' ' ' THR . . . . . . . . 0 N--CA 1.473 1.143 0 N-CA-C 111.136 -0.785 . . . . 0.0 111.136 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' K' K ' 2' ' ' ILE . . . . . 0.522 HG22 HG21 ' K' ' 3' ' ' VAL . 14.0 tt 41.24 -79.29 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 125.45 1.5 . . . . 0.0 114.082 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' K' K ' 3' ' ' VAL . . . . . 0.638 HG22 ' HB3' ' L' ' 28' ' ' PRO . 5.5 t -52.57 -78.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.142 0.496 . . . . 0.0 111.822 -179.554 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' K' K ' 4' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -83.27 45.12 1.0 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 122.165 0.983 . . . . 0.0 110.668 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' K' K ' 5' ' ' GLN . . . . . 0.416 ' H ' ' C ' ' K' ' 3' ' ' VAL . 22.4 tt0 -128.96 -32.56 2.06 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 113.561 -1.654 . . . . 0.0 107.095 178.507 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' K' K ' 6' ' ' CYS . . . . . 0.473 ' HA ' ' O ' ' K' ' 9' ' ' SER . 65.4 m -108.45 -21.56 12.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.255 -1.339 . . . . 0.0 111.244 -179.589 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' K' K ' 7' ' ' CYS . . . . . . . . . . . . . 50.0 t -81.79 -36.53 28.32 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.403 0.621 . . . . 0.0 109.683 179.173 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' K' K ' 8' ' ' THR . . . . . . . . . . . . . 4.4 p -82.27 -13.51 56.9 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.364 179.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' K' K ' 9' ' ' SER . . . . . 0.495 ' HA ' HG13 ' H' ' 2' ' ' VAL . 11.0 p -166.39 110.69 0.78 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.096 -0.956 . . . . 0.0 108.906 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' K' K ' 10' ' ' ILE . . . . . 0.578 HD12 ' HA ' ' H' ' 2' ' ' VAL . 1.8 mp -48.02 126.04 2.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.396 0.617 . . . . 0.0 111.421 -178.319 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' K' K ' 11' ' ' CYS . . . . . 0.451 ' HB2' HD22 ' K' ' 16' ' ' LEU . 85.4 m -89.3 152.99 21.24 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.221 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' K' K ' 12' ' ' SER . . . . . . . . . . . . . 42.7 t -70.41 155.22 40.98 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 178.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' K' K ' 13' ' ' LEU . . . . . . . . . . . . . 9.9 tt -56.38 -35.91 68.25 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.925 0.393 . . . . 0.0 110.276 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -67.96 -34.41 76.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.84 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' K' K ' 15' ' ' GLN . . . . . 0.411 ' HA ' ' ND2' ' K' ' 18' ' ' ASN . 82.4 mt-30 -68.93 -43.21 75.57 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 178.394 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' K' K ' 16' ' ' LEU . . . . . 0.451 HD22 ' HB2' ' K' ' 11' ' ' CYS . 82.7 mt -66.76 -33.3 75.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.065 178.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' K' K ' 17' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -62.52 -23.14 66.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.152 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' K' K ' 18' ' ' ASN . . . . . 0.411 ' ND2' ' HA ' ' K' ' 15' ' ' GLN . 78.8 m-20 -65.72 -21.9 66.56 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.006 0.431 . . . . 0.0 110.499 179.299 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' K' K ' 19' ' ' TYR . . . . . 0.424 ' HA ' ' CZ ' ' L' ' 25' ' ' PHE . 26.9 m-85 -104.79 12.36 32.77 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.446 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' K' K ' 20' ' ' CYS . . . . . . . . . . . . . 48.5 t -95.96 106.04 18.15 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.24 -179.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' K' K ' 21' ' ' ASN . . . . . 0.434 ' H ' ' HA ' ' L' ' 24' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--O 1.247 0.956 0 CA-C-O 117.974 -1.013 . . . . 0.0 112.427 179.167 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' L' L ' 1' ' ' PHE . . . . . . . . . . . . . 5.6 t80 . . . . . 0 N--CA 1.48 1.072 0 CA-C-O 120.771 0.319 . . . . 0.0 111.309 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' L' L ' 2' ' ' VAL . . . . . 0.661 ' O ' ' HG ' ' L' ' 6' ' ' LEU . 18.1 m -66.27 -48.51 80.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 -177.497 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' L' L ' 3' ' ' ASN . . . . . 0.565 ' N ' HG21 ' L' ' 2' ' ' VAL . 2.3 m120 -66.07 -22.62 66.43 Favored 'General case' 0 C--O 1.223 -0.292 0 O-C-N 122.046 -0.409 . . . . 0.0 110.57 179.625 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' L' L ' 4' ' ' GLN . . . . . 0.615 ' HG3' HG13 ' K' ' 3' ' ' VAL . 37.5 tt0 -65.36 -35.06 79.84 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.232 0.539 . . . . 0.0 110.073 178.417 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' L' L ' 5' ' ' HIS . . . . . . . . . . . . . 70.3 t60 -90.55 -21.82 21.59 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.314 -179.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' L' L ' 6' ' ' LEU . . . . . 0.661 ' HG ' ' O ' ' L' ' 2' ' ' VAL . 22.4 mt -96.72 -70.95 0.7 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.325 0.583 . . . . 0.0 110.669 -179.75 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' L' L ' 7' ' ' CYS . . . . . . . . . . . . . 33.3 t -60.88 -35.57 76.96 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.16 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' L' L ' 8' ' ' GLY . . . . . . . . . . . . . . . -58.22 -30.66 64.54 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 121.149 -0.548 . . . . 0.0 112.822 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' L' L ' 9' ' ' SER . . . . . 0.421 ' HB3' ' HG2' ' J' ' 13' ' ' GLU . 15.3 m -72.02 -3.79 24.92 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.683 0.278 . . . . 0.0 111.582 179.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' L' L ' 10' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 -116.32 -11.39 11.24 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 120.87 0.367 . . . . 0.0 111.291 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' L' L ' 11' ' ' LEU . . . . . 0.647 HD21 ' H5 ' ' K' ' 22' ' ' IPH . 46.6 mt -70.02 -23.26 63.1 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 178.3 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' L' L ' 12' ' ' VAL . . . . . 0.577 HG22 HG22 ' J' ' 12' ' ' VAL . 3.4 m -64.71 -37.72 80.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 114.851 -1.068 . . . . 0.0 110.988 178.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' L' L ' 13' ' ' GLU . . . . . 0.452 ' O ' ' HG ' ' L' ' 17' ' ' LEU . 29.3 mt-10 -61.93 -37.72 85.74 Favored 'General case' 0 CA--C 1.52 -0.195 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 179.693 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' L' L ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.01 -46.66 86.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.021 178.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' L' L ' 15' ' ' LEU . . . . . . . . . . . . . 51.1 mt -65.12 -44.65 88.02 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.596 0.712 . . . . 0.0 110.056 178.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' L' L ' 16' ' ' TYR . . . . . 0.411 ' HB2' ' O ' ' L' ' 12' ' ' VAL . 0.7 OUTLIER -53.91 -45.61 71.21 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.476 -1.238 . . . . 0.0 112.02 -179.139 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' L' L ' 17' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' L' ' 13' ' ' GLU . 78.9 mt -67.9 -33.49 74.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.939 -179.539 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 79.4 t -70.99 -45.64 71.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.117 0.484 . . . . 0.0 109.966 178.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' L' L ' 19' ' ' CYS . . . . . 0.836 ' HB3' ' HB3' ' L' ' 22' ' ' ARG . 77.2 m -66.59 -52.62 43.41 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.88 -179.687 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' L' L ' 20' ' ' GLY . . . . . 0.488 ' O ' ' HB2' ' L' ' 21' ' ' GLU . . . 68.53 85.12 0.11 Allowed Glycine 0 C--N 1.333 0.374 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.164 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' L' L ' 21' ' ' GLU . . . . . 0.488 ' HB2' ' O ' ' L' ' 20' ' ' GLY . 41.4 mt-10 76.29 -26.32 0.19 Allowed 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.519 0.728 . . . . 0.0 111.151 -178.602 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' L' L ' 22' ' ' ARG . . . . . 0.836 ' HB3' ' HB3' ' L' ' 19' ' ' CYS . 54.3 ttt180 -69.53 126.5 29.95 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 178.71 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' L' L ' 23' ' ' GLY . . . . . 0.744 ' HA3' ' HA ' ' J' ' 27' ' ' THR . . . -72.62 151.17 45.94 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 119.958 -1.115 . . . . 0.0 111.844 -179.485 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' L' L ' 24' ' ' PHE . . . . . 0.434 ' HA ' ' H ' ' K' ' 21' ' ' ASN . 3.7 p90 -124.69 166.09 16.77 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 120.826 0.346 . . . . 0.0 110.543 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' L' L ' 25' ' ' PHE . . . . . 0.424 ' CZ ' ' HA ' ' K' ' 19' ' ' TYR . 37.5 p90 -114.9 128.62 56.4 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 178.442 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' L' L ' 26' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -126.44 93.2 3.73 Favored 'General case' 0 C--N 1.317 -0.81 0 C-N-CA 120.321 -0.552 . . . . 0.0 110.747 -178.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' L' L ' 27' ' ' THR . . . . . 0.729 ' HA ' ' HA3' ' J' ' 23' ' ' GLY . 18.8 m -126.5 106.41 23.83 Favored Pre-proline 0 C--N 1.317 -0.843 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.544 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' L' L ' 28' ' ' PRO . . . . . 0.638 ' HB3' HG22 ' K' ' 3' ' ' VAL . 5.9 Cg_exo -74.13 45.73 1.22 Allowed 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 123.531 2.82 . . . . 0.0 111.441 179.557 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' L' L ' 29' ' ' LYS . . . . . 0.451 ' HB2' HG23 ' L' ' 27' ' ' THR . 28.7 tttp -111.09 3.57 18.68 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.935 -179.02 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' L' L ' 30' ' ' THR . . . . . 0.535 ' C ' ' H2 ' ' K' ' 1' ' ' GLY . 51.3 m . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.275 -0.869 . . . . 0.0 109.218 179.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' IPH . . . . . 0.638 ' H5 ' HD21 ' B' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 22' ' ' IPH . . . . . 0.624 ' H5 ' HD21 ' D' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 22' ' ' IPH . . . . . 0.649 ' H5 ' HD21 ' F' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 22' ' ' IPH . . . . . 0.634 ' H5 ' HD21 ' H' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 22' ' ' IPH . . . . . 0.631 ' H5 ' HD21 ' J' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' K' K ' 22' ' ' IPH . . . . . 0.647 ' H5 ' HD21 ' L' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.257 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 11.5 tt -81.78 -36.49 14.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-O 120.698 0.285 . . . . 0.0 111.259 -178.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 96.3 t -61.77 -59.84 3.66 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 CA-C-O 120.884 0.373 . . . . 0.0 110.637 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -79.44 61.58 3.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.427 0.632 . . . . 0.0 110.757 179.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.444 ' HG2' ' SG ' ' A' ' 11' ' ' CYS . 32.2 tt0 -172.34 -43.73 0.02 OUTLIER 'General case' 0 C--N 1.312 -1.035 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.423 ' HB2' HD12 ' B' ' 11' ' ' LEU . 95.4 m -89.14 -39.55 13.51 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.745 -1.116 . . . . 0.0 111.226 179.713 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 79.8 m -91.45 18.28 7.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.25 0.548 . . . . 0.0 109.891 178.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.2 m -104.83 -45.21 4.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.44 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.2 p -156.83 21.86 0.32 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.663 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.644 HG13 ' H6 ' ' A' ' 22' ' ' IPH . 2.3 mp 70.34 125.29 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 CA-C-N 115.476 -0.783 . . . . 0.0 111.617 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.444 ' SG ' ' HG2' ' A' ' 5' ' ' GLN . 85.9 m -81.51 145.17 30.84 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.137 179.787 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.421 ' HB2' ' HG3' ' A' ' 15' ' ' GLN . 17.3 m -73.99 152.15 40.12 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 178.387 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.93 HD12 HD12 ' G' ' 13' ' ' LEU . 7.3 tt -52.73 -48.15 66.89 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -178.361 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -65.65 -22.91 66.69 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -178.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.421 ' HG3' ' HB2' ' A' ' 12' ' ' SER . 26.3 mt-30 -75.54 -27.99 58.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.182 0.515 . . . . 0.0 110.047 178.752 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.414 ' HB3' ' CD2' ' B' ' 15' ' ' LEU . 86.1 mt -78.23 -23.94 47.19 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.34 -179.646 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -61.8 -21.93 65.02 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.832 -179.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 -81.83 -4.89 57.56 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.319 -179.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.467 ' HB2' HD23 ' B' ' 15' ' ' LEU . 18.0 m-30 -105.07 13.79 30.28 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.94 0.4 . . . . 0.0 111.365 -178.413 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 72.7 m -84.89 154.18 22.4 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.778 179.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 . . . . . 0 C--O 1.252 1.197 0 CA-C-O 118.317 -0.849 . . . . 0.0 109.438 179.58 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 26.6 t80 . . . . . 0 N--CA 1.481 1.119 0 CA-C-O 120.557 0.218 . . . . 0.0 111.077 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . 0.506 ' O ' ' HG ' ' B' ' 6' ' ' LEU . 16.8 m -68.93 -31.81 52.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -178.412 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . 0.411 ' HA ' ' HB2' ' B' ' 6' ' ' LEU . 9.5 m-20 -62.97 -19.32 64.2 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-O 121.113 0.483 . . . . 0.0 110.911 179.761 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -68.2 -17.17 64.25 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.254 0.549 . . . . 0.0 109.952 178.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -118.67 11.5 12.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.387 0.613 . . . . 0.0 109.515 179.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' B' ' 2' ' ' VAL . 55.3 mt -126.23 -64.48 1.04 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.446 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . 0.465 ' SG ' HD23 ' F' ' 6' ' ' LEU . 2.8 t -62.45 -46.45 88.47 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.719 -1.128 . . . . 0.0 109.381 178.435 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . 0.667 ' HA2' ' HG ' ' B' ' 11' ' ' LEU . . . -58.89 -30.2 65.99 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.297 178.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' SER . . . . . 0.667 ' HB3' ' HG2' ' D' ' 13' ' ' GLU . 7.7 m -71.5 -1.1 12.15 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.755 0.312 . . . . 0.0 111.365 179.656 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 70.2 m-70 -120.56 -11.21 9.11 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-O 120.803 0.335 . . . . 0.0 111.25 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.667 ' HG ' ' HA2' ' B' ' 8' ' ' GLY . 13.9 mt -69.71 -21.82 63.45 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 176.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.527 HG22 HG22 ' D' ' 12' ' ' VAL . 11.2 m -67.94 -46.33 82.16 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 CA-C-N 114.654 -1.157 . . . . 0.0 111.561 179.308 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.684 ' HG2' ' HB3' ' D' ' 9' ' ' SER . 18.9 mt-10 -63.1 -29.54 70.88 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 108.92 -0.771 . . . . 0.0 108.92 178.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . 0.624 ' HB3' ' HG ' ' H' ' 17' ' ' LEU . . . -69.39 -52.83 23.26 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.463 177.333 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.467 HD23 ' HB2' ' A' ' 19' ' ' TYR . 91.2 mt -58.05 -39.2 77.84 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.986 178.553 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . 0.474 ' CD2' ' HE2' ' B' ' 24' ' ' PHE . 0.4 OUTLIER -54.87 -37.85 66.77 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.937 -1.029 . . . . 0.0 110.745 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.626 ' HG ' ' HB3' ' H' ' 14' ' ' ALA . 4.0 mm? -80.84 -43.55 19.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.646 179.307 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 88.8 t -59.06 -48.34 87.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.522 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . 0.597 ' HB3' ' HB2' ' B' ' 22' ' ' ARG . 66.6 m -72.22 -28.36 63.12 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.877 178.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.96 -98.34 0.29 Allowed Glycine 0 N--CA 1.452 -0.297 0 CA-C-N 115.718 -0.674 . . . . 0.0 113.951 178.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -93.34 5.64 50.86 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.257 0.551 . . . . 0.0 110.761 -178.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . 0.597 ' HB2' ' HB3' ' B' ' 19' ' ' CYS . 47.4 mtt85 -103.4 174.38 5.89 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.097 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . 0.706 ' HA2' ' HD2' ' D' ' 28' ' ' PRO . . . -99.61 -171.84 30.53 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.382 -0.914 . . . . 0.0 111.22 178.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . 0.474 ' HE2' ' CD2' ' B' ' 16' ' ' TYR . 5.0 p90 -156.65 149.23 23.54 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.217 0.532 . . . . 0.0 110.252 178.731 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 8.1 p90 -114.92 116.71 28.95 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 179.206 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -105.11 120.77 42.32 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.222 -179.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' THR . . . . . 0.406 ' C ' ' H ' ' B' ' 29' ' ' LYS . 3.0 p -123.68 88.89 51.74 Favored Pre-proline 0 C--N 1.32 -0.684 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -178.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . 0.681 ' HD2' ' HA2' ' D' ' 23' ' ' GLY . 86.5 Cg_endo -83.07 13.32 2.68 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 122.906 2.404 . . . . 0.0 109.829 177.363 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.406 ' H ' ' C ' ' B' ' 27' ' ' THR . 69.8 tttt -110.74 128.9 55.91 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 114.028 -1.442 . . . . 0.0 109.339 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 11.4 t . . . . . 0 C--O 1.245 0.862 0 CA-C-O 118.628 -0.701 . . . . 0.0 109.831 179.891 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.828 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 12.4 tt -82.96 -35.81 12.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 120.925 0.393 . . . . 0.0 111.224 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 3' ' ' VAL . . . . . 0.405 HG12 ' HG3' ' D' ' 4' ' ' GLN . 93.5 t -62.65 -59.91 3.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.753 0.311 . . . . 0.0 110.778 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -79.19 61.05 3.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.6 0.714 . . . . 0.0 111.124 179.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 5' ' ' GLN . . . . . 0.459 ' HG2' ' SG ' ' C' ' 11' ' ' CYS . 32.3 tt0 -171.54 -44.27 0.02 OUTLIER 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 114.337 -1.301 . . . . 0.0 107.658 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 6' ' ' CYS . . . . . 0.407 ' HB2' HD12 ' D' ' 11' ' ' LEU . 90.9 m -88.39 -39.64 14.14 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.573 -1.194 . . . . 0.0 111.33 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 7' ' ' CYS . . . . . . . . . . . . . 80.1 m -91.08 16.01 10.52 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.153 0.501 . . . . 0.0 110.082 178.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 23.5 m -102.08 -46.59 4.81 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.497 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 5.2 p -155.79 22.88 0.39 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.684 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . 0.644 HG13 ' H6 ' ' C' ' 22' ' ' IPH . 2.3 mp 69.78 127.01 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 CA-C-N 115.283 -0.871 . . . . 0.0 111.384 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 11' ' ' CYS . . . . . 0.459 ' SG ' ' HG2' ' C' ' 5' ' ' GLN . 84.1 m -82.85 146.7 28.75 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.056 179.718 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 12' ' ' SER . . . . . 0.433 ' HB2' ' HG3' ' C' ' 15' ' ' GLN . 19.5 m -75.77 151.35 37.58 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 178.502 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 13' ' ' LEU . . . . . 0.939 HD12 HD12 ' I' ' 13' ' ' LEU . 7.3 tt -51.84 -48.09 64.12 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -178.333 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -65.4 -22.74 66.82 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 -179.009 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . 0.433 ' HG3' ' HB2' ' C' ' 12' ' ' SER . 26.2 mt-30 -75.73 -29.17 58.81 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.293 0.568 . . . . 0.0 109.976 178.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 16' ' ' LEU . . . . . 0.456 ' HA ' HD21 ' C' ' 16' ' ' LEU . 85.1 mt -76.62 -24.5 53.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.389 -179.668 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -60.99 -23.72 65.59 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 112.022 0.378 . . . . 0.0 112.022 -179.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 67.1 m-20 -80.61 -3.63 51.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.52 -179.206 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 19' ' ' TYR . . . . . 0.491 ' HB2' HD23 ' D' ' 15' ' ' LEU . 18.1 m-30 -105.77 13.71 29.25 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.946 0.403 . . . . 0.0 111.062 -178.571 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 76.7 m -84.79 154.8 22.13 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.962 179.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.394 -0.812 . . . . 0.0 109.381 179.476 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 25.7 t80 . . . . . 0 N--CA 1.479 0.996 0 CA-C-O 120.468 0.175 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 2' ' ' VAL . . . . . 0.503 ' O ' ' HG ' ' D' ' 6' ' ' LEU . 16.5 m -68.76 -32.59 55.49 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 -178.675 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 3' ' ' ASN . . . . . 0.4 ' HA ' ' HB2' ' D' ' 6' ' ' LEU . 9.8 m-20 -62.43 -18.84 62.65 Favored 'General case' 0 C--O 1.223 -0.303 0 CA-C-O 120.948 0.404 . . . . 0.0 110.802 179.661 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 4' ' ' GLN . . . . . 0.405 ' HG3' HG12 ' C' ' 3' ' ' VAL . 8.9 tt0 -68.36 -17.8 64.33 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.05 0.452 . . . . 0.0 109.806 178.49 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 5' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -117.59 10.53 13.47 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.51 0.672 . . . . 0.0 109.752 179.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 6' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' D' ' 2' ' ' VAL . 50.6 mt -125.23 -64.14 1.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.558 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 7' ' ' CYS . . . . . 0.459 ' SG ' HD23 ' L' ' 6' ' ' LEU . 3.1 t -62.22 -46.95 86.6 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.711 -1.131 . . . . 0.0 109.289 178.521 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 8' ' ' GLY . . . . . 0.678 ' HA2' ' HG ' ' D' ' 11' ' ' LEU . . . -58.94 -29.63 65.27 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.339 179.079 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 9' ' ' SER . . . . . 0.684 ' HB3' ' HG2' ' B' ' 13' ' ' GLU . 7.4 m -71.77 -1.02 12.53 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.689 0.281 . . . . 0.0 111.259 179.609 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 10' ' ' HIS . . . . . . . . . . . . . 69.7 m-70 -120.69 -11.06 9.08 Favored 'General case' 0 CA--C 1.51 -0.562 0 CA-C-O 120.801 0.334 . . . . 0.0 111.29 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 11' ' ' LEU . . . . . 0.678 ' HG ' ' HA2' ' D' ' 8' ' ' GLY . 13.9 mt -69.42 -22.2 63.7 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 107.294 -1.373 . . . . 0.0 107.294 176.698 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . 0.527 HG22 HG22 ' B' ' 12' ' ' VAL . 12.0 m -67.76 -46.42 82.52 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 CA-C-N 114.707 -1.133 . . . . 0.0 111.588 179.275 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 13' ' ' GLU . . . . . 0.667 ' HG2' ' HB3' ' B' ' 9' ' ' SER . 19.0 mt-10 -62.94 -29.61 70.93 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 178.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 14' ' ' ALA . . . . . 0.607 ' HB3' ' HG ' ' J' ' 17' ' ' LEU . . . -69.26 -52.61 25.92 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.477 177.36 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 15' ' ' LEU . . . . . 0.491 HD23 ' HB2' ' C' ' 19' ' ' TYR . 91.7 mt -58.36 -39.16 78.79 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.833 178.691 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 16' ' ' TYR . . . . . 0.497 ' CD2' ' HE2' ' D' ' 24' ' ' PHE . 0.4 OUTLIER -54.88 -37.98 66.96 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.982 -1.008 . . . . 0.0 110.741 179.833 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . 0.604 ' HG ' ' HB3' ' J' ' 14' ' ' ALA . 4.0 mm? -80.82 -43.82 19.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.525 179.128 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 85.2 t -58.79 -48.34 86.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.558 179.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 19' ' ' CYS . . . . . 0.623 ' HB3' ' HB2' ' D' ' 22' ' ' ARG . 71.4 m -72.32 -28.12 62.87 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.918 179.107 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.39 -99.21 0.31 Allowed Glycine 0 C--N 1.33 0.231 0 CA-C-N 115.492 -0.776 . . . . 0.0 113.78 178.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -91.56 4.26 53.04 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.293 0.568 . . . . 0.0 110.92 -178.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 22' ' ' ARG . . . . . 0.623 ' HB2' ' HB3' ' D' ' 19' ' ' CYS . 47.0 mtt85 -102.21 173.97 6.13 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.04 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 23' ' ' GLY . . . . . 0.681 ' HA2' ' HD2' ' B' ' 28' ' ' PRO . . . -99.97 -171.7 30.04 Favored Glycine 0 N--CA 1.443 -0.846 0 C-N-CA 120.394 -0.907 . . . . 0.0 111.102 178.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 24' ' ' PHE . . . . . 0.497 ' HE2' ' CD2' ' D' ' 16' ' ' TYR . 5.1 p90 -156.66 149.14 23.43 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.274 0.559 . . . . 0.0 110.351 178.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 25' ' ' PHE . . . . . . . . . . . . . 7.4 p90 -114.44 117.76 31.91 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 179.137 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 26' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -106.14 120.17 41.11 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.077 0.465 . . . . 0.0 110.089 -179.145 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 27' ' ' THR . . . . . 0.412 ' C ' ' H ' ' D' ' 29' ' ' LYS . 3.0 p -123.0 88.23 50.89 Favored Pre-proline 0 C--N 1.321 -0.648 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -178.716 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 28' ' ' PRO . . . . . 0.706 ' HD2' ' HA2' ' B' ' 23' ' ' GLY . 87.7 Cg_endo -82.15 11.36 3.18 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.615 2.21 . . . . 0.0 109.646 177.388 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 29' ' ' LYS . . . . . 0.412 ' H ' ' C ' ' D' ' 27' ' ' THR . 68.3 tttt -108.83 126.97 53.61 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.097 -1.41 . . . . 0.0 109.822 -179.737 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 12.9 t . . . . . 0 C--O 1.246 0.875 0 CA-C-O 118.655 -0.688 . . . . 0.0 109.705 179.718 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.961 0 N-CA-C 111.987 -0.445 . . . . 0.0 111.987 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' E' E ' 2' ' ' ILE . . . . . . . . . . . . . 11.9 tt -81.35 -36.55 14.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-O 120.683 0.278 . . . . 0.0 111.197 -179.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 93.9 t -61.78 -59.74 3.83 Favored 'Isoleucine or valine' 0 C--O 1.238 0.457 0 CA-C-O 120.783 0.325 . . . . 0.0 110.96 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 4' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -79.12 59.23 2.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.753 0.787 . . . . 0.0 111.177 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 5' ' ' GLN . . . . . 0.455 ' HG2' ' SG ' ' E' ' 11' ' ' CYS . 31.7 tt0 -170.12 -42.13 0.02 OUTLIER 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 114.432 -1.258 . . . . 0.0 107.878 179.778 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 6' ' ' CYS . . . . . 0.42 ' HB2' HD12 ' F' ' 11' ' ' LEU . 89.5 m -90.22 -39.89 12.52 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.649 -1.16 . . . . 0.0 110.91 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 7' ' ' CYS . . . . . . . . . . . . . 80.6 m -91.1 16.82 8.97 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.138 0.494 . . . . 0.0 110.097 178.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 25.4 m -103.55 -45.76 4.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.528 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 9' ' ' SER . . . . . . . . . . . . . 7.6 p -156.25 23.1 0.36 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.568 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 10' ' ' ILE . . . . . 0.653 HG13 ' H6 ' ' E' ' 22' ' ' IPH . 2.3 mp 69.17 125.43 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.704 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 11' ' ' CYS . . . . . 0.455 ' SG ' ' HG2' ' E' ' 5' ' ' GLN . 84.4 m -81.29 146.02 30.62 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.95 179.588 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 12' ' ' SER . . . . . 0.423 ' HB2' ' HG3' ' E' ' 15' ' ' GLN . 19.7 m -75.58 150.5 38.04 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 178.383 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 13' ' ' LEU . . . . . 0.918 HD12 HD12 ' K' ' 13' ' ' LEU . 7.1 tt -51.0 -48.05 61.44 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -178.308 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -65.68 -22.51 66.64 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -179.044 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . 0.423 ' HG3' ' HB2' ' E' ' 12' ' ' SER . 26.1 mt-30 -76.03 -28.65 57.8 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 178.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 16' ' ' LEU . . . . . 0.46 ' HA ' HD21 ' E' ' 16' ' ' LEU . 86.2 mt -77.7 -24.5 49.23 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.525 -179.631 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 17' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -61.32 -22.4 64.86 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 111.914 0.339 . . . . 0.0 111.914 -179.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 18' ' ' ASN . . . . . . . . . . . . . 67.3 m-20 -81.17 -6.04 58.39 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.812 0.339 . . . . 0.0 111.265 -179.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 19' ' ' TYR . . . . . 0.506 ' HB2' HD23 ' F' ' 15' ' ' LEU . 17.4 m-30 -103.32 13.3 34.07 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.037 0.446 . . . . 0.0 111.435 -178.623 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 20' ' ' CYS . . . . . . . . . . . . . 76.2 m -84.4 153.41 23.44 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.752 179.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 21' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 . . . . . 0 C--O 1.253 1.287 0 CA-C-O 118.476 -0.773 . . . . 0.0 109.895 179.807 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' F' F ' 1' ' ' PHE . . . . . . . . . . . . . 30.5 t80 . . . . . 0 N--CA 1.481 1.092 0 CA-C-O 120.727 0.299 . . . . 0.0 111.471 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' F' F ' 2' ' ' VAL . . . . . 0.529 ' O ' ' HG ' ' F' ' 6' ' ' LEU . 15.6 m -69.2 -31.1 48.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -178.146 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' F' F ' 3' ' ' ASN . . . . . 0.414 ' HA ' ' HB2' ' F' ' 6' ' ' LEU . 10.1 m-20 -63.19 -19.1 64.2 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-O 120.994 0.426 . . . . 0.0 110.799 179.486 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' F' F ' 4' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -68.08 -17.4 64.37 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.31 0.576 . . . . 0.0 109.991 178.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 5' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -118.31 10.88 12.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.412 0.625 . . . . 0.0 109.717 179.171 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 6' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' F' ' 2' ' ' VAL . 54.0 mt -125.79 -63.68 1.11 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.673 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' F' F ' 7' ' ' CYS . . . . . 0.475 ' SG ' HD23 ' J' ' 6' ' ' LEU . 2.6 t -63.2 -46.53 86.61 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.777 -1.102 . . . . 0.0 109.157 178.428 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' F' F ' 8' ' ' GLY . . . . . 0.667 ' HA2' ' HG ' ' F' ' 11' ' ' LEU . . . -58.72 -29.77 64.81 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.653 -0.785 . . . . 0.0 112.343 178.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' F' F ' 9' ' ' SER . . . . . 0.653 ' HB3' ' HG2' ' H' ' 13' ' ' GLU . 7.4 m -71.75 -1.38 13.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.664 0.268 . . . . 0.0 111.438 179.732 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' F' F ' 10' ' ' HIS . . . . . . . . . . . . . 72.7 m-70 -120.39 -10.79 9.24 Favored 'General case' 0 CA--C 1.513 -0.472 0 CA-C-O 120.759 0.314 . . . . 0.0 111.227 179.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 11' ' ' LEU . . . . . 0.667 ' HG ' ' HA2' ' F' ' 8' ' ' GLY . 14.4 mt -69.74 -21.92 63.41 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 107.209 -1.404 . . . . 0.0 107.209 176.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' F' F ' 12' ' ' VAL . . . . . 0.518 HG22 HG22 ' H' ' 12' ' ' VAL . 11.9 m -68.0 -46.36 81.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 CA-C-N 114.546 -1.206 . . . . 0.0 111.461 179.328 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' F' F ' 13' ' ' GLU . . . . . 0.656 ' HG2' ' HB3' ' H' ' 9' ' ' SER . 18.8 mt-10 -63.21 -29.48 70.81 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 178.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' F' F ' 14' ' ' ALA . . . . . 0.629 ' HB3' ' HG ' ' L' ' 17' ' ' LEU . . . -69.25 -52.84 23.63 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.429 177.388 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' F' F ' 15' ' ' LEU . . . . . 0.506 HD23 ' HB2' ' E' ' 19' ' ' TYR . 91.1 mt -58.12 -39.12 77.89 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.97 178.537 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' F' F ' 16' ' ' TYR . . . . . 0.489 ' CD2' ' HE2' ' F' ' 24' ' ' PHE . 0.4 OUTLIER -54.78 -37.97 66.67 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.019 -0.991 . . . . 0.0 110.851 179.895 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' F' F ' 17' ' ' LEU . . . . . 0.617 ' HG ' ' HB3' ' L' ' 14' ' ' ALA . 4.0 mm? -80.72 -44.17 19.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.501 179.196 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 89.3 t -58.61 -48.15 86.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.487 179.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 19' ' ' CYS . . . . . 0.601 ' HB3' ' HB2' ' F' ' 22' ' ' ARG . 69.4 m -72.44 -28.02 62.68 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.979 179.077 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' F' F ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.39 -99.37 0.33 Allowed Glycine 0 N--CA 1.452 -0.273 0 CA-C-N 115.563 -0.744 . . . . 0.0 113.763 178.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 21' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -92.44 6.81 45.68 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.115 0.483 . . . . 0.0 110.743 -178.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 22' ' ' ARG . . . . . 0.601 ' HB2' ' HB3' ' F' ' 19' ' ' CYS . 46.6 mtt85 -104.44 173.84 6.13 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.751 -0.658 . . . . 0.0 109.857 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' F' F ' 23' ' ' GLY . . . . . 0.689 ' HA2' ' HD2' ' H' ' 28' ' ' PRO . . . -99.27 -172.29 31.06 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.385 -0.912 . . . . 0.0 111.051 178.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' F' F ' 24' ' ' PHE . . . . . 0.489 ' HE2' ' CD2' ' F' ' 16' ' ' TYR . 4.9 p90 -156.37 149.01 23.73 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.213 0.53 . . . . 0.0 110.473 178.787 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' F' F ' 25' ' ' PHE . . . . . . . . . . . . . 8.0 p90 -114.44 117.78 31.96 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 179.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 26' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -106.31 120.24 41.35 Favored 'General case' 0 N--CA 1.445 -0.687 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.175 -179.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 27' ' ' THR . . . . . 0.403 ' C ' ' H ' ' F' ' 29' ' ' LYS . 2.8 p -123.2 88.51 51.19 Favored Pre-proline 0 C--N 1.318 -0.77 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 -178.653 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' F' F ' 28' ' ' PRO . . . . . 0.669 ' HD2' ' HA2' ' H' ' 23' ' ' GLY . 93.5 Cg_endo -82.39 11.53 3.15 Favored 'Trans proline' 0 N--CA 1.46 -0.487 0 C-N-CA 122.614 2.209 . . . . 0.0 109.676 177.418 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' F' F ' 29' ' ' LYS . . . . . 0.403 ' H ' ' C ' ' F' ' 27' ' ' THR . 68.3 tttt -109.41 126.87 53.91 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 114.049 -1.432 . . . . 0.0 109.819 -179.664 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' F' F ' 30' ' ' THR . . . . . . . . . . . . . 9.2 t . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.625 -0.702 . . . . 0.0 109.566 179.742 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' G' G ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.887 0 N-CA-C 111.507 -0.637 . . . . 0.0 111.507 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' G' G ' 2' ' ' ILE . . . . . . . . . . . . . 11.6 tt -82.25 -36.17 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 120.736 0.303 . . . . 0.0 111.332 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 87.6 t -62.31 -58.84 5.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.856 0.36 . . . . 0.0 110.697 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 4' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -79.98 61.6 3.92 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.706 0.765 . . . . 0.0 110.847 179.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 5' ' ' GLN . . . . . 0.463 ' HG2' ' SG ' ' G' ' 11' ' ' CYS . 32.6 tt0 -172.19 -44.84 0.02 OUTLIER 'General case' 0 C--N 1.31 -1.146 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' G' G ' 6' ' ' CYS . . . . . 0.415 ' HB2' HD12 ' H' ' 11' ' ' LEU . 95.5 m -87.99 -39.64 14.52 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.653 -1.158 . . . . 0.0 111.109 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' G' G ' 7' ' ' CYS . . . . . . . . . . . . . 79.4 m -91.05 17.2 8.31 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.165 0.507 . . . . 0.0 110.107 178.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 8' ' ' THR . . . . . . . . . . . . . 22.8 m -103.82 -45.89 4.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.435 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 9' ' ' SER . . . . . . . . . . . . . 3.6 p -156.43 22.78 0.35 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.802 179.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 10' ' ' ILE . . . . . 0.641 HG13 ' H6 ' ' G' ' 22' ' ' IPH . 2.3 mp 70.1 125.84 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.726 179.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' G' G ' 11' ' ' CYS . . . . . 0.463 ' SG ' ' HG2' ' G' ' 5' ' ' GLN . 81.1 m -81.77 146.93 29.69 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.071 179.691 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' G' G ' 12' ' ' SER . . . . . 0.438 ' HB2' ' HG3' ' G' ' 15' ' ' GLN . 14.7 m -75.58 151.77 37.81 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 178.372 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' G' G ' 13' ' ' LEU . . . . . 0.93 HD12 HD12 ' A' ' 13' ' ' LEU . 7.3 tt -52.4 -47.37 66.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 123.378 0.424 . . . . 0.0 112.039 -178.667 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -66.11 -22.15 66.38 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 -179.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 15' ' ' GLN . . . . . 0.438 ' HG3' ' HB2' ' G' ' 12' ' ' SER . 25.7 mt-30 -77.18 -27.23 53.58 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.188 0.518 . . . . 0.0 109.868 178.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' G' G ' 16' ' ' LEU . . . . . 0.442 HD21 ' HA ' ' G' ' 16' ' ' LEU . 85.6 mt -78.62 -24.47 45.3 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.262 -179.594 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' G' G ' 17' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -61.04 -23.48 65.47 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.807 -179.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 18' ' ' ASN . . . . . . . . . . . . . 68.4 m-20 -80.81 -4.17 53.7 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.485 -179.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 19' ' ' TYR . . . . . 0.492 ' HB2' HD23 ' H' ' 15' ' ' LEU . 17.5 m-30 -105.47 14.36 28.78 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.969 0.414 . . . . 0.0 111.215 -178.618 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' G' G ' 20' ' ' CYS . . . . . . . . . . . . . 77.4 m -85.28 154.23 22.06 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.158 179.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 21' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 . . . . . 0 C--O 1.253 1.255 0 CA-C-O 118.498 -0.763 . . . . 0.0 109.45 179.659 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' H' H ' 1' ' ' PHE . . . . . . . . . . . . . 28.1 t80 . . . . . 0 N--CA 1.48 1.071 0 N-CA-C 111.528 0.195 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' H' H ' 2' ' ' VAL . . . . . 0.512 ' O ' ' HG ' ' H' ' 6' ' ' LEU . 16.0 m -67.64 -32.23 55.96 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.185 0 N-CA-C 112.856 0.687 . . . . 0.0 112.856 -178.192 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' H' H ' 3' ' ' ASN . . . . . 0.431 ' HA ' ' HB2' ' H' ' 6' ' ' LEU . 11.3 m-20 -62.89 -18.76 63.43 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-O 120.927 0.394 . . . . 0.0 110.822 179.443 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' H' H ' 4' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -68.24 -17.75 64.38 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-O 121.1 0.476 . . . . 0.0 109.884 178.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 5' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -118.14 11.4 13.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.433 0.635 . . . . 0.0 109.578 179.205 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 6' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' H' ' 2' ' ' VAL . 54.1 mt -126.04 -64.37 1.05 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.505 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' H' H ' 7' ' ' CYS . . . . . 0.464 ' SG ' HD23 ' D' ' 6' ' ' LEU . 2.9 t -62.59 -46.61 87.53 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.739 -1.119 . . . . 0.0 109.403 178.363 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' H' H ' 8' ' ' GLY . . . . . 0.661 ' HA2' ' HG ' ' H' ' 11' ' ' LEU . . . -59.05 -29.67 65.68 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.32 178.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' H' H ' 9' ' ' SER . . . . . 0.656 ' HB3' ' HG2' ' F' ' 13' ' ' GLU . 7.7 m -71.82 -1.12 12.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.706 0.289 . . . . 0.0 111.323 179.621 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' H' H ' 10' ' ' HIS . . . . . . . . . . . . . 70.1 m-70 -120.77 -10.82 9.1 Favored 'General case' 0 CA--C 1.509 -0.627 0 CA-C-O 120.763 0.316 . . . . 0.0 111.309 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 11' ' ' LEU . . . . . 0.661 ' HG ' ' HA2' ' H' ' 8' ' ' GLY . 14.3 mt -69.85 -21.77 63.32 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 176.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' H' H ' 12' ' ' VAL . . . . . 0.518 HG22 HG22 ' F' ' 12' ' ' VAL . 11.3 m -67.99 -46.44 81.81 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 CA-C-N 114.575 -1.193 . . . . 0.0 111.583 179.332 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' H' H ' 13' ' ' GLU . . . . . 0.653 ' HG2' ' HB3' ' F' ' 9' ' ' SER . 19.5 mt-10 -62.86 -29.82 71.04 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 178.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' H' H ' 14' ' ' ALA . . . . . 0.626 ' HB3' ' HG ' ' B' ' 17' ' ' LEU . . . -69.17 -52.66 25.81 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.445 177.428 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' H' H ' 15' ' ' LEU . . . . . 0.492 HD23 ' HB2' ' G' ' 19' ' ' TYR . 91.1 mt -57.83 -39.16 77.0 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.499 0.666 . . . . 0.0 110.092 178.539 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' H' H ' 16' ' ' TYR . . . . . 0.49 ' CD2' ' HE2' ' H' ' 24' ' ' PHE . 0.4 OUTLIER -54.85 -37.77 66.62 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.759 -1.11 . . . . 0.0 110.809 179.883 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' H' H ' 17' ' ' LEU . . . . . 0.624 ' HG ' ' HB3' ' B' ' 14' ' ' ALA . 4.1 mm? -81.42 -43.31 19.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.4 179.357 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 84.8 t -59.31 -48.19 87.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.5 179.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 19' ' ' CYS . . . . . 0.605 ' HB3' ' HB2' ' H' ' 22' ' ' ARG . 73.7 m -72.39 -28.76 63.19 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.833 179.07 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' H' H ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.39 -98.82 0.34 Allowed Glycine 0 N--CA 1.452 -0.235 0 CA-C-N 115.605 -0.725 . . . . 0.0 113.939 178.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 21' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -92.93 6.62 47.16 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.123 0.487 . . . . 0.0 110.781 -178.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 22' ' ' ARG . . . . . 0.605 ' HB2' ' HB3' ' H' ' 19' ' ' CYS . 48.7 mtt85 -104.46 173.71 6.19 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.705 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' H' H ' 23' ' ' GLY . . . . . 0.669 ' HA2' ' HD2' ' F' ' 28' ' ' PRO . . . -99.63 -171.95 30.53 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.408 -0.901 . . . . 0.0 111.184 178.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' H' H ' 24' ' ' PHE . . . . . 0.49 ' HE2' ' CD2' ' H' ' 16' ' ' TYR . 5.2 p90 -156.48 149.28 23.84 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.208 0.528 . . . . 0.0 110.437 178.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' H' H ' 25' ' ' PHE . . . . . . . . . . . . . 8.0 p90 -114.62 118.02 32.51 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 179.095 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 26' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -106.61 119.86 40.43 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.323 -179.125 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 27' ' ' THR . . . . . . . . . . . . . 3.8 p -122.86 89.3 50.41 Favored Pre-proline 0 C--N 1.318 -0.782 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -178.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 28' ' ' PRO . . . . . 0.689 ' HD2' ' HA2' ' F' ' 23' ' ' GLY . 86.3 Cg_endo -82.68 11.26 3.28 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.591 2.194 . . . . 0.0 109.73 177.406 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' H' H ' 29' ' ' LYS . . . . . . . . . . . . . 69.2 tttt -108.48 129.31 55.28 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 113.904 -1.498 . . . . 0.0 109.401 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 30' ' ' THR . . . . . . . . . . . . . 13.5 t . . . . . 0 C--O 1.248 0.986 0 CA-C-O 118.609 -0.71 . . . . 0.0 109.77 179.949 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' I' I ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.625 0 N-CA-C 111.412 -0.675 . . . . 0.0 111.412 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' I' I ' 2' ' ' ILE . . . . . . . . . . . . . 12.5 tt -81.9 -36.1 13.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.7 0.286 . . . . 0.0 111.31 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 3' ' ' VAL . . . . . 0.409 HG12 ' HG3' ' J' ' 4' ' ' GLN . 86.6 t -62.08 -59.21 4.68 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.968 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' I' I ' 4' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -79.72 59.72 3.16 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.674 0.749 . . . . 0.0 111.117 179.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 5' ' ' GLN . . . . . 0.448 ' HG2' ' SG ' ' I' ' 11' ' ' CYS . 31.4 tt0 -170.34 -44.27 0.02 OUTLIER 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 114.301 -1.318 . . . . 0.0 107.62 179.758 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' I' I ' 6' ' ' CYS . . . . . 0.433 ' HB2' HD12 ' J' ' 11' ' ' LEU . 96.0 m -88.57 -39.27 14.25 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 114.594 -1.184 . . . . 0.0 111.226 179.731 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' I' I ' 7' ' ' CYS . . . . . . . . . . . . . 79.7 m -91.8 17.57 8.89 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.176 0.512 . . . . 0.0 110.007 178.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 8' ' ' THR . . . . . . . . . . . . . 22.7 m -103.74 -45.92 4.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.536 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 9' ' ' SER . . . . . . . . . . . . . 3.7 p -156.28 22.26 0.36 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.702 179.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 10' ' ' ILE . . . . . 0.638 HG13 ' H6 ' ' I' ' 22' ' ' IPH . 2.3 mp 70.39 127.7 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.399 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' I' I ' 11' ' ' CYS . . . . . 0.448 ' SG ' ' HG2' ' I' ' 5' ' ' GLN . 76.2 m -83.81 146.66 28.01 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.858 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' I' I ' 12' ' ' SER . . . . . 0.401 ' HB2' ' HG3' ' I' ' 15' ' ' GLN . 19.5 m -75.43 151.94 38.03 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 178.602 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' I' I ' 13' ' ' LEU . . . . . 0.939 HD12 HD12 ' C' ' 13' ' ' LEU . 7.3 tt -52.51 -47.64 66.5 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -178.57 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -65.55 -23.47 66.87 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -179.022 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 15' ' ' GLN . . . . . 0.401 ' HG3' ' HB2' ' I' ' 12' ' ' SER . 26.3 mt-30 -75.13 -28.98 60.4 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.104 0.478 . . . . 0.0 110.052 178.802 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' I' I ' 16' ' ' LEU . . . . . 0.401 ' HB3' ' CD2' ' J' ' 15' ' ' LEU . 84.9 mt -76.91 -24.71 52.47 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.48 -179.552 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' I' I ' 17' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -61.01 -22.59 64.68 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.868 0.366 . . . . 0.0 111.919 -179.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 18' ' ' ASN . . . . . . . . . . . . . 64.0 m-20 -81.77 -3.27 53.41 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.381 -178.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 19' ' ' TYR . . . . . 0.492 ' HB2' HD23 ' J' ' 15' ' ' LEU . 18.2 m-30 -106.46 14.25 27.44 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.942 0.401 . . . . 0.0 111.23 -178.464 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' I' I ' 20' ' ' CYS . . . . . . . . . . . . . 78.9 m -85.05 156.01 21.28 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.023 179.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 21' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 . . . . . 0 C--O 1.254 1.321 0 CA-C-O 118.222 -0.894 . . . . 0.0 109.585 179.722 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' J' J ' 1' ' ' PHE . . . . . . . . . . . . . 28.2 t80 . . . . . 0 N--CA 1.482 1.134 0 CA-C-O 120.669 0.271 . . . . 0.0 111.73 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' J' J ' 2' ' ' VAL . . . . . 0.522 ' O ' ' HG ' ' J' ' 6' ' ' LEU . 16.4 m -69.1 -32.12 52.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 -178.182 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' J' J ' 3' ' ' ASN . . . . . 0.415 ' HA ' ' HB2' ' J' ' 6' ' ' LEU . 10.8 m-20 -62.92 -18.68 63.4 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-O 121.031 0.443 . . . . 0.0 110.91 179.549 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' J' J ' 4' ' ' GLN . . . . . 0.409 ' HG3' HG12 ' I' ' 3' ' ' VAL . 8.7 tt0 -68.65 -17.06 64.02 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.216 0.531 . . . . 0.0 109.86 178.49 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' J' J ' 5' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -118.73 11.06 12.61 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.383 0.611 . . . . 0.0 109.598 179.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' J' J ' 6' ' ' LEU . . . . . 0.522 ' HG ' ' O ' ' J' ' 2' ' ' VAL . 53.8 mt -125.68 -64.4 1.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.388 179.712 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' J' J ' 7' ' ' CYS . . . . . 0.475 ' SG ' HD23 ' B' ' 6' ' ' LEU . 3.4 t -62.11 -46.67 88.03 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.745 -1.116 . . . . 0.0 109.385 178.16 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' J' J ' 8' ' ' GLY . . . . . 0.64 ' HA2' ' HG ' ' J' ' 11' ' ' LEU . . . -58.73 -29.92 65.07 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.315 178.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' J' J ' 9' ' ' SER . . . . . 0.679 ' HB3' ' HG2' ' L' ' 13' ' ' GLU . 8.2 m -71.74 -1.44 13.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.717 0.294 . . . . 0.0 111.337 179.746 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' J' J ' 10' ' ' HIS . . . . . . . . . . . . . 71.4 m-70 -120.59 -10.85 9.16 Favored 'General case' 0 CA--C 1.509 -0.62 0 CA-C-O 120.823 0.344 . . . . 0.0 111.277 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' J' J ' 11' ' ' LEU . . . . . 0.64 ' HG ' ' HA2' ' J' ' 8' ' ' GLY . 13.5 mt -69.97 -21.49 63.24 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 176.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' J' J ' 12' ' ' VAL . . . . . 0.527 HG22 HG22 ' L' ' 12' ' ' VAL . 12.1 m -68.24 -46.1 81.67 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 CA-C-N 114.713 -1.131 . . . . 0.0 111.583 179.32 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' J' J ' 13' ' ' GLU . . . . . 0.686 ' HG2' ' HB3' ' L' ' 9' ' ' SER . 19.2 mt-10 -63.28 -29.52 70.83 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 178.776 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' J' J ' 14' ' ' ALA . . . . . 0.604 ' HB3' ' HG ' ' D' ' 17' ' ' LEU . . . -69.25 -52.99 22.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.438 177.39 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' J' J ' 15' ' ' LEU . . . . . 0.492 HD23 ' HB2' ' I' ' 19' ' ' TYR . 94.1 mt -57.78 -39.1 76.69 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.051 178.512 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' J' J ' 16' ' ' TYR . . . . . 0.496 ' CD2' ' HE2' ' J' ' 24' ' ' PHE . 0.5 OUTLIER -54.74 -38.17 66.81 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.829 -1.078 . . . . 0.0 110.948 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' J' J ' 17' ' ' LEU . . . . . 0.607 ' HG ' ' HB3' ' D' ' 14' ' ' ALA . 4.0 mm? -81.03 -43.44 19.56 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.583 179.214 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 84.3 t -59.08 -47.49 89.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.557 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' J' J ' 19' ' ' CYS . . . . . 0.595 ' HB3' ' HB2' ' J' ' 22' ' ' ARG . 73.4 m -73.17 -29.17 62.66 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.776 179.027 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' J' J ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.34 -99.75 0.41 Allowed Glycine 0 N--CA 1.451 -0.346 0 CA-C-N 115.517 -0.765 . . . . 0.0 113.772 178.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' J' J ' 21' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -91.11 4.43 52.19 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.25 0.548 . . . . 0.0 110.935 -178.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' J' J ' 22' ' ' ARG . . . . . 0.595 ' HB2' ' HB3' ' J' ' 19' ' ' CYS . 49.0 mtt85 -102.43 174.68 5.8 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.027 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' J' J ' 23' ' ' GLY . . . . . 0.692 ' HA2' ' HD2' ' L' ' 28' ' ' PRO . . . -100.36 -171.79 29.57 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.411 -0.9 . . . . 0.0 111.139 179.052 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' J' J ' 24' ' ' PHE . . . . . 0.496 ' HE2' ' CD2' ' J' ' 16' ' ' TYR . 5.0 p90 -156.65 149.31 23.61 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.189 0.519 . . . . 0.0 110.274 178.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' J' J ' 25' ' ' PHE . . . . . . . . . . . . . 8.0 p90 -114.6 117.69 31.6 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 179.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' J' J ' 26' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -106.09 120.08 40.88 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.316 -179.24 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' J' J ' 27' ' ' THR . . . . . 0.407 ' C ' ' H ' ' J' ' 29' ' ' LYS . 3.9 p -122.87 88.99 50.49 Favored Pre-proline 0 C--N 1.323 -0.579 0 N-CA-C 112.818 0.674 . . . . 0.0 112.818 -178.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' J' J ' 28' ' ' PRO . . . . . 0.681 ' HD2' ' HA2' ' L' ' 23' ' ' GLY . 90.2 Cg_endo -82.65 11.8 3.1 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.745 2.297 . . . . 0.0 109.658 177.349 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' J' J ' 29' ' ' LYS . . . . . 0.407 ' H ' ' C ' ' J' ' 27' ' ' THR . 69.8 tttt -109.06 130.53 55.48 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.038 -1.437 . . . . 0.0 109.227 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' J' J ' 30' ' ' THR . . . . . . . . . . . . . 11.6 t . . . . . 0 C--O 1.246 0.914 0 CA-C-O 118.696 -0.669 . . . . 0.0 109.589 -179.951 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.754 0 N-CA-C 111.461 -0.656 . . . . 0.0 111.461 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' K' K ' 2' ' ' ILE . . . . . . . . . . . . . 11.9 tt -81.37 -35.65 14.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.58 0.229 . . . . 0.0 111.413 -179.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' K' K ' 3' ' ' VAL . . . . . . . . . . . . . 98.0 t -62.87 -59.62 4.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.894 0.378 . . . . 0.0 110.668 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' K' K ' 4' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -78.77 58.95 2.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.5 0.667 . . . . 0.0 111.27 179.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' K' K ' 5' ' ' GLN . . . . . 0.431 ' HG2' ' SG ' ' K' ' 11' ' ' CYS . 32.0 tt0 -170.02 -43.37 0.02 OUTLIER 'General case' 0 C--N 1.311 -1.07 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' K' K ' 6' ' ' CYS . . . . . 0.416 ' HB2' HD12 ' L' ' 11' ' ' LEU . 92.3 m -89.09 -39.47 13.61 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.634 -1.167 . . . . 0.0 111.142 179.659 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' K' K ' 7' ' ' CYS . . . . . . . . . . . . . 80.6 m -91.73 17.96 8.26 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.103 0.478 . . . . 0.0 110.017 178.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' K' K ' 8' ' ' THR . . . . . . . . . . . . . 24.5 m -104.39 -44.71 4.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.523 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' K' K ' 9' ' ' SER . . . . . . . . . . . . . 4.9 p -157.77 22.59 0.27 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.706 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' K' K ' 10' ' ' ILE . . . . . 0.641 HG13 ' H6 ' ' K' ' 22' ' ' IPH . 2.3 mp 69.81 127.41 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.619 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' K' K ' 11' ' ' CYS . . . . . 0.431 ' SG ' ' HG2' ' K' ' 5' ' ' GLN . 82.2 m -83.48 145.88 28.69 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.964 179.724 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' K' K ' 12' ' ' SER . . . . . 0.415 ' HB2' ' HG3' ' K' ' 15' ' ' GLN . 18.8 m -74.84 152.14 38.96 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 178.429 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' K' K ' 13' ' ' LEU . . . . . 0.918 HD12 HD12 ' E' ' 13' ' ' LEU . 7.3 tt -52.92 -46.89 68.29 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -178.521 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -66.09 -22.71 66.42 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -178.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' K' K ' 15' ' ' GLN . . . . . 0.415 ' HG3' ' HB2' ' K' ' 12' ' ' SER . 25.7 mt-30 -76.14 -28.83 57.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.089 0.471 . . . . 0.0 109.99 178.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' K' K ' 16' ' ' LEU . . . . . 0.402 ' HB3' ' CD2' ' L' ' 15' ' ' LEU . 85.5 mt -77.2 -24.21 51.38 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.584 -179.655 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' K' K ' 17' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -61.94 -21.98 65.23 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.884 0.373 . . . . 0.0 111.926 -179.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' K' K ' 18' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -81.79 -3.44 53.89 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.282 -179.289 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' K' K ' 19' ' ' TYR . . . . . 0.496 ' HB2' HD23 ' L' ' 15' ' ' LEU . 17.4 m-30 -106.52 14.91 26.53 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.873 0.368 . . . . 0.0 111.039 -178.351 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' K' K ' 20' ' ' CYS . . . . . . . . . . . . . 75.2 m -86.01 154.65 21.29 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.911 179.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' K' K ' 21' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 . . . . . 0 C--O 1.251 1.173 0 CA-C-O 118.278 -0.868 . . . . 0.0 109.152 179.494 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' L' L ' 1' ' ' PHE . . . . . . . . . . . . . 28.9 t80 . . . . . 0 N--CA 1.482 1.151 0 N-CA-C 111.489 0.181 . . . . 0.0 111.489 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' L' L ' 2' ' ' VAL . . . . . 0.501 ' O ' ' HG ' ' L' ' 6' ' ' LEU . 15.3 m -67.49 -32.3 56.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 -178.279 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' L' L ' 3' ' ' ASN . . . . . 0.406 ' HA ' ' HB2' ' L' ' 6' ' ' LEU . 10.3 m-20 -62.69 -17.91 61.49 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-O 121.035 0.445 . . . . 0.0 110.884 179.576 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' L' L ' 4' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -69.76 -16.9 63.39 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.255 0.55 . . . . 0.0 109.826 178.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' L' L ' 5' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -118.73 11.56 12.76 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.439 0.638 . . . . 0.0 109.501 179.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' L' L ' 6' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' L' ' 2' ' ' VAL . 54.1 mt -126.19 -64.49 1.04 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.373 -0.831 . . . . 0.0 109.478 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' L' L ' 7' ' ' CYS . . . . . 0.466 ' SG ' HD23 ' H' ' 6' ' ' LEU . 2.9 t -62.41 -46.63 87.73 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.758 -1.11 . . . . 0.0 109.305 178.498 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' L' L ' 8' ' ' GLY . . . . . 0.672 ' HA2' ' HG ' ' L' ' 11' ' ' LEU . . . -59.0 -29.69 65.55 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.231 179.069 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' L' L ' 9' ' ' SER . . . . . 0.686 ' HB3' ' HG2' ' J' ' 13' ' ' GLU . 7.4 m -71.97 -0.62 12.0 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.602 0.239 . . . . 0.0 111.256 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' L' L ' 10' ' ' HIS . . . . . . . . . . . . . 69.1 m-70 -121.22 -11.12 8.87 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-O 120.88 0.372 . . . . 0.0 111.216 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' L' L ' 11' ' ' LEU . . . . . 0.672 ' HG ' ' HA2' ' L' ' 8' ' ' GLY . 13.9 mt -69.39 -21.77 63.75 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 176.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' L' L ' 12' ' ' VAL . . . . . 0.527 HG22 HG22 ' J' ' 12' ' ' VAL . 12.2 m -68.29 -46.16 81.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-N 114.543 -1.208 . . . . 0.0 111.521 179.43 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' L' L ' 13' ' ' GLU . . . . . 0.679 ' HG2' ' HB3' ' J' ' 9' ' ' SER . 19.0 mt-10 -63.18 -29.56 70.88 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 178.714 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' L' L ' 14' ' ' ALA . . . . . 0.617 ' HB3' ' HG ' ' F' ' 17' ' ' LEU . . . -69.23 -52.95 22.68 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.424 177.442 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' L' L ' 15' ' ' LEU . . . . . 0.496 HD23 ' HB2' ' K' ' 19' ' ' TYR . 91.3 mt -57.82 -39.22 77.11 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.915 178.621 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' L' L ' 16' ' ' TYR . . . . . 0.484 ' CD2' ' HE2' ' L' ' 24' ' ' PHE . 0.4 OUTLIER -54.85 -37.78 66.63 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.843 179.933 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' L' L ' 17' ' ' LEU . . . . . 0.629 ' HG ' ' HB3' ' F' ' 14' ' ' ALA . 4.0 mm? -81.22 -43.62 18.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.469 179.18 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 85.9 t -59.15 -47.39 90.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.485 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' L' L ' 19' ' ' CYS . . . . . 0.602 ' HB3' ' HB2' ' L' ' 22' ' ' ARG . 70.9 m -73.15 -28.9 62.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.147 -0.478 . . . . 0.0 109.804 179.142 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' L' L ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.01 -98.56 0.37 Allowed Glycine 0 N--CA 1.452 -0.239 0 CA-C-N 115.511 -0.768 . . . . 0.0 113.964 178.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' L' L ' 21' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -93.66 6.92 46.7 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.408 0.623 . . . . 0.0 110.697 -178.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' L' L ' 22' ' ' ARG . . . . . 0.602 ' HB2' ' HB3' ' L' ' 19' ' ' CYS . 49.0 mtt85 -104.76 173.94 6.09 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.939 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' L' L ' 23' ' ' GLY . . . . . 0.681 ' HA2' ' HD2' ' J' ' 28' ' ' PRO . . . -99.57 -172.11 30.64 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.42 -0.895 . . . . 0.0 111.078 178.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' L' L ' 24' ' ' PHE . . . . . 0.484 ' HE2' ' CD2' ' L' ' 16' ' ' TYR . 4.9 p90 -156.33 149.66 24.46 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.154 0.502 . . . . 0.0 110.251 178.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' L' L ' 25' ' ' PHE . . . . . . . . . . . . . 8.0 p90 -114.91 118.35 33.24 Favored 'General case' 0 C--N 1.317 -0.848 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 179.098 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' L' L ' 26' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -106.82 119.89 40.54 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-O 120.97 0.414 . . . . 0.0 110.154 -179.145 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' L' L ' 27' ' ' THR . . . . . 0.41 ' C ' ' H ' ' L' ' 29' ' ' LYS . 3.1 p -122.75 88.65 50.16 Favored Pre-proline 0 C--N 1.323 -0.567 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 -178.745 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' L' L ' 28' ' ' PRO . . . . . 0.692 ' HD2' ' HA2' ' J' ' 23' ' ' GLY . 95.8 Cg_endo -82.44 11.11 3.3 Favored 'Trans proline' 0 N--CA 1.461 -0.424 0 C-N-CA 122.684 2.256 . . . . 0.0 109.703 177.661 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' L' L ' 29' ' ' LYS . . . . . 0.41 ' H ' ' C ' ' L' ' 27' ' ' THR . 69.5 tttt -108.84 129.14 55.4 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 113.916 -1.493 . . . . 0.0 109.377 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' L' L ' 30' ' ' THR . . . . . . . . . . . . . 13.1 t . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.57 -0.728 . . . . 0.0 110.128 -179.775 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' IPH . . . . . 0.644 ' H6 ' HG13 ' A' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 22' ' ' IPH . . . . . 0.644 ' H6 ' HG13 ' C' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 22' ' ' IPH . . . . . 0.653 ' H6 ' HG13 ' E' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 22' ' ' IPH . . . . . 0.641 ' H6 ' HG13 ' G' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 22' ' ' IPH . . . . . 0.638 ' H6 ' HG13 ' I' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' K' K ' 22' ' ' IPH . . . . . 0.641 ' H6 ' HG13 ' K' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.35 0 N-CA-C 111.838 -0.505 . . . . 0.0 111.838 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.6 tt -163.63 -43.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-O 120.641 0.258 . . . . 0.0 110.581 179.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.547 HG12 ' CD ' ' B' ' 4' ' ' GLN . 46.3 t -71.69 -75.57 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 C-N-CA 120.914 -0.314 . . . . 0.0 111.651 -179.194 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 79.0 tt0 -57.13 -33.64 67.58 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.893 0.378 . . . . 0.0 110.402 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -55.86 -40.02 72.32 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.543 179.291 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 70.9 m -101.84 -27.58 12.92 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -179.114 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.68 ' HB2' HD12 ' B' ' 11' ' ' LEU . 42.4 t -84.85 41.62 0.87 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.457 0.646 . . . . 0.0 111.015 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.414 HG21 ' N ' ' A' ' 9' ' ' SER . 9.9 t -127.79 -44.01 1.51 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 178.123 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.432 ' O ' ' HB ' ' A' ' 10' ' ' ILE . 52.7 m -158.06 19.57 0.25 Allowed 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 120.486 0.184 . . . . 0.0 110.691 179.197 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.58 HD13 ' HB ' ' F' ' 2' ' ' VAL . 1.9 mp 73.16 136.54 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.499 0 C-N-CA 123.133 0.573 . . . . 0.0 111.202 -179.504 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.498 ' N ' HG21 ' A' ' 10' ' ' ILE . 97.9 m -91.57 175.24 6.98 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.114 0.483 . . . . 0.0 111.042 179.788 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.0 m -79.68 161.96 25.51 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.162 178.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.91 -56.44 21.06 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.168 -178.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -66.64 -17.99 65.13 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.876 0.369 . . . . 0.0 111.417 -179.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -71.26 -31.59 67.7 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.018 179.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.0 mt -74.94 -30.32 61.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.456 178.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -63.44 -16.78 61.58 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.168 -179.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -71.25 -12.83 61.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.893 0.378 . . . . 0.0 110.858 179.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -106.1 15.95 25.66 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.201 0.524 . . . . 0.0 110.807 -178.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 11.8 m -92.32 155.3 18.02 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.117 179.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 59.8 m-80 . . . . . 0 C--O 1.249 1.036 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.563 178.932 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 66.4 t80 . . . . . 0 N--CA 1.479 0.996 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . 0.625 HG13 HD11 ' B' ' 6' ' ' LEU . 10.3 m -116.31 169.93 6.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.837 179.741 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . 0.507 ' H ' ' CD1' ' I' ' 10' ' ' ILE . 3.1 t-20 -105.1 -170.28 1.73 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.646 -178.815 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . 0.547 ' CD ' HG12 ' A' ' 3' ' ' VAL . 5.3 tt0 -53.1 -34.8 58.25 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.067 179.39 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . 0.565 ' HB3' HG12 ' I' ' 10' ' ' ILE . 23.6 t60 -54.49 -18.56 4.43 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.604 -0.726 . . . . 0.0 112.626 -178.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.639 HD23 ' H4 ' ' I' ' 22' ' ' IPH . 36.4 mt -124.81 -14.17 6.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.923 0.392 . . . . 0.0 110.983 178.547 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . 0.403 ' HB3' ' HA ' ' B' ' 4' ' ' GLN . 19.6 t -86.7 -40.27 15.23 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.928 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -60.74 -30.09 71.72 Favored Glycine 0 N--CA 1.451 -0.315 0 CA-C-N 116.075 -0.511 . . . . 0.0 113.869 -179.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' SER . . . . . 0.974 ' HB2' ' HG2' ' D' ' 13' ' ' GLU . 27.2 p -61.63 -24.16 66.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.955 0.407 . . . . 0.0 111.397 -179.083 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . 0.402 ' HA ' ' HG3' ' B' ' 13' ' ' GLU . 96.9 m-70 -99.04 -17.13 18.42 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.899 0.381 . . . . 0.0 111.004 -179.109 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.68 HD12 ' HB2' ' A' ' 7' ' ' CYS . 71.9 mt -73.88 -38.8 64.3 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 177.636 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.871 HG22 HG22 ' D' ' 12' ' ' VAL . 2.8 m -69.54 -28.93 39.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.145 179.18 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.994 ' HG2' ' HB2' ' D' ' 9' ' ' SER . 40.1 mt-10 -57.48 -46.7 83.4 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 121.18 0.514 . . . . 0.0 109.897 179.548 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.0 -29.94 58.35 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.877 179.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.44 ' HB2' ' HA ' ' B' ' 12' ' ' VAL . 14.2 mt -55.49 -58.85 6.07 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.77 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . 0.934 ' HB3' ' HE2' ' B' ' 24' ' ' PHE . 8.1 p90 -77.13 -16.79 59.02 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.027 -0.669 . . . . 0.0 111.077 -179.164 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.45 ' HB2' ' O ' ' B' ' 13' ' ' GLU . 9.4 tp -67.06 -42.99 83.8 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 178.495 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 78.7 t -79.21 -42.71 23.74 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 CA-C-N 114.819 -1.082 . . . . 0.0 109.385 178.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -86.99 51.53 2.27 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.724 179.584 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.9 127.54 38.82 Favored Glycine 0 N--CA 1.449 -0.493 0 CA-C-N 115.538 -0.756 . . . . 0.0 113.368 -178.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.499 ' HA ' ' O ' ' D' ' 28' ' ' PRO . 50.5 mt-10 62.22 30.57 17.65 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 123.402 0.681 . . . . 0.0 112.71 179.105 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 16.9 mtt180 -118.91 -103.23 0.41 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 177.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . 0.464 ' HA2' ' HD3' ' D' ' 28' ' ' PRO . . . 156.48 147.47 4.77 Favored Glycine 0 N--CA 1.445 -0.707 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.585 179.657 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . 0.934 ' HE2' ' HB3' ' B' ' 16' ' ' TYR . 32.3 p90 -146.61 178.87 7.96 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.727 0.299 . . . . 0.0 110.304 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -128.46 151.21 49.66 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 178.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 25.6 t80 -140.79 124.56 17.08 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.038 0.447 . . . . 0.0 110.782 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 8.1 p -119.92 111.87 35.43 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.841 179.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . 0.529 ' HA ' ' OE1' ' B' ' 4' ' ' GLN . 8.9 Cg_exo -71.98 70.64 2.91 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 123.239 2.626 . . . . 0.0 111.677 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -120.46 175.79 5.81 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.078 -179.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 12.8 t . . . . . 0 C--O 1.251 1.137 0 CA-C-O 118.903 -0.57 . . . . 0.0 109.483 179.587 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.361 0 N-CA-C 111.607 -0.597 . . . . 0.0 111.607 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 7.3 tt -165.93 -44.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-O 120.965 0.412 . . . . 0.0 110.814 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 3' ' ' VAL . . . . . 0.556 HG12 ' CD ' ' D' ' 4' ' ' GLN . 45.4 t -71.63 -75.34 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.424 -179.483 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 73.6 tt0 -57.21 -32.82 66.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.074 0.464 . . . . 0.0 110.679 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -57.35 -38.94 74.94 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.569 179.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 71.3 m -102.57 -27.37 12.79 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -179.049 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 7' ' ' CYS . . . . . 0.657 ' HB2' HD12 ' D' ' 11' ' ' LEU . 42.0 t -85.02 40.68 0.83 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.321 0.581 . . . . 0.0 110.977 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 8' ' ' THR . . . . . 0.401 HG21 ' N ' ' C' ' 9' ' ' SER . 8.4 t -126.75 -42.87 1.74 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 178.31 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 9' ' ' SER . . . . . 0.431 ' O ' ' HB ' ' C' ' 10' ' ' ILE . 59.2 m -159.23 19.89 0.19 Allowed 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.592 179.171 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . 0.591 HD13 ' HB ' ' L' ' 2' ' ' VAL . 1.9 mp 72.75 137.14 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 CA-C-O 121.277 0.56 . . . . 0.0 111.327 -179.386 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 11' ' ' CYS . . . . . 0.467 ' N ' HG21 ' C' ' 10' ' ' ILE . 99.6 m -92.41 174.95 7.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.972 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 7.0 m -79.46 160.96 26.38 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.135 179.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.09 -55.86 28.72 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.354 -179.298 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -67.1 -18.27 65.25 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.921 0.391 . . . . 0.0 111.415 -179.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -70.45 -32.36 69.9 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.93 179.185 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 96.2 mt -74.32 -30.44 62.06 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.699 179.026 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -63.62 -15.66 58.8 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.999 -179.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -72.12 -14.35 61.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.095 0.474 . . . . 0.0 110.795 179.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -104.78 15.96 26.89 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.219 0.533 . . . . 0.0 111.038 -178.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 11.7 m -91.78 156.94 17.18 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.287 179.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 55.8 m-80 . . . . . 0 C--O 1.244 0.779 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.558 179.024 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 66.1 t80 . . . . . 0 N--CA 1.481 1.116 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 2' ' ' VAL . . . . . 0.602 HG13 HD11 ' D' ' 6' ' ' LEU . 11.1 m -116.17 170.69 5.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 C-N-CA 120.316 -0.554 . . . . 0.0 110.959 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 3' ' ' ASN . . . . . 0.523 ' H ' ' CD1' ' G' ' 10' ' ' ILE . 2.9 t-20 -106.3 -171.48 1.9 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.666 -178.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 4' ' ' GLN . . . . . 0.556 ' CD ' HG12 ' C' ' 3' ' ' VAL . 5.2 tt0 -51.93 -34.37 41.52 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.279 179.401 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 5' ' ' HIS . . . . . 0.564 ' HB3' HG12 ' G' ' 10' ' ' ILE . 25.0 t60 -55.07 -18.62 5.63 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.799 -178.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 6' ' ' LEU . . . . . 0.63 HD23 ' H4 ' ' G' ' 22' ' ' IPH . 36.3 mt -124.28 -14.61 6.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.021 0.438 . . . . 0.0 111.081 178.596 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 7' ' ' CYS . . . . . . . . . . . . . 22.6 t -86.33 -40.33 15.57 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.256 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 8' ' ' GLY . . . . . . . . . . . . . . . -60.66 -30.47 72.39 Favored Glycine 0 N--CA 1.451 -0.318 0 CA-C-N 116.014 -0.539 . . . . 0.0 113.728 -179.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 9' ' ' SER . . . . . 0.994 ' HB2' ' HG2' ' B' ' 13' ' ' GLU . 28.7 p -61.12 -24.38 66.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.91 0.386 . . . . 0.0 111.553 -179.155 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 10' ' ' HIS . . . . . 0.412 ' HA ' ' HG3' ' D' ' 13' ' ' GLU . 97.3 m-70 -98.94 -16.82 18.63 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.0 -179.238 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 11' ' ' LEU . . . . . 0.657 HD12 ' HB2' ' C' ' 7' ' ' CYS . 71.5 mt -74.23 -39.08 63.32 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.715 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . 0.871 HG22 HG22 ' B' ' 12' ' ' VAL . 3.0 m -69.3 -28.68 39.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.443 179.116 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 13' ' ' GLU . . . . . 0.974 ' HG2' ' HB2' ' B' ' 9' ' ' SER . 40.8 mt-10 -57.78 -46.98 83.83 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-O 121.186 0.517 . . . . 0.0 109.85 179.444 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.35 -30.22 60.17 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.778 179.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 15' ' ' LEU . . . . . 0.457 ' HB2' ' HA ' ' D' ' 12' ' ' VAL . 13.6 mt -55.5 -59.13 5.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.753 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 16' ' ' TYR . . . . . 0.945 ' HB3' ' HE2' ' D' ' 24' ' ' PHE . 8.4 p90 -76.75 -17.13 59.25 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.033 -0.667 . . . . 0.0 110.999 -179.253 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . 0.457 HD13 ' H5 ' ' I' ' 22' ' ' IPH . 8.8 tp -66.76 -42.7 85.74 Favored 'General case' 0 C--O 1.232 0.181 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 178.569 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 77.6 t -79.7 -43.06 23.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 114.901 -1.045 . . . . 0.0 109.281 178.163 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -86.14 50.76 2.05 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.165 179.623 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.82 127.89 41.86 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 115.499 -0.773 . . . . 0.0 113.347 -178.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 21' ' ' GLU . . . . . 0.512 ' HA ' ' O ' ' B' ' 28' ' ' PRO . 49.7 mt-10 61.91 29.69 17.9 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 179.142 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 22' ' ' ARG . . . . . . . . . . . . . 17.3 mtt180 -118.03 -102.54 0.42 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.093 0.473 . . . . 0.0 110.079 177.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 23' ' ' GLY . . . . . 0.463 ' HA2' ' HD3' ' B' ' 28' ' ' PRO . . . 156.09 146.98 4.6 Favored Glycine 0 N--CA 1.444 -0.79 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.508 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 24' ' ' PHE . . . . . 0.945 ' HE2' ' HB3' ' D' ' 16' ' ' TYR . 30.1 p90 -146.68 178.56 8.21 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.858 0.361 . . . . 0.0 110.149 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 25' ' ' PHE . . . . . . . . . . . . . 5.9 p90 -128.46 151.49 49.34 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.529 178.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 26' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -140.98 124.51 16.77 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.049 0.452 . . . . 0.0 110.952 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 27' ' ' THR . . . . . . . . . . . . . 15.0 p -120.03 112.3 34.95 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.718 179.143 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 28' ' ' PRO . . . . . 0.544 ' HA ' ' OE1' ' D' ' 4' ' ' GLN . 8.1 Cg_exo -71.83 69.9 2.89 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 123.384 2.722 . . . . 0.0 111.597 -179.716 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -120.91 173.71 7.07 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.048 -179.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 13.5 t . . . . . 0 C--O 1.248 1.01 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 179.586 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.605 0 N-CA-C 111.692 -0.563 . . . . 0.0 111.692 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' E' E ' 2' ' ' ILE . . . . . . . . . . . . . 7.0 tt -162.29 -43.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 120.787 0.327 . . . . 0.0 110.878 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 3' ' ' VAL . . . . . 0.569 HG13 ' CD ' ' F' ' 4' ' ' GLN . 43.4 t -71.52 -75.65 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.461 -179.168 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 4' ' ' GLU . . . . . . . . . . . . . 73.4 tt0 -57.3 -31.31 65.51 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 121.119 0.485 . . . . 0.0 110.655 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -58.71 -39.88 82.08 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.086 179.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 6' ' ' CYS . . . . . . . . . . . . . 71.2 m -101.51 -26.71 13.46 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -178.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 7' ' ' CYS . . . . . 0.656 ' HB2' HD12 ' F' ' 11' ' ' LEU . 42.2 t -85.51 40.14 0.82 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.238 0.542 . . . . 0.0 111.041 -179.575 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 8' ' ' THR . . . . . 0.441 HG21 ' N ' ' E' ' 9' ' ' SER . 9.7 t -126.52 -43.02 1.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 178.144 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 9' ' ' SER . . . . . 0.441 ' N ' HG21 ' E' ' 8' ' ' THR . 73.3 m -158.93 20.45 0.2 Allowed 'General case' 0 CA--C 1.531 0.233 0 CA-C-O 120.578 0.227 . . . . 0.0 110.704 179.183 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 10' ' ' ILE . . . . . 0.582 HD13 ' HB ' ' J' ' 2' ' ' VAL . 1.9 mp 72.03 136.36 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 C-N-CA 123.14 0.576 . . . . 0.0 111.408 -179.481 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 11' ' ' CYS . . . . . 0.484 ' N ' HG21 ' E' ' 10' ' ' ILE . 98.4 m -90.88 176.71 6.52 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.116 0.484 . . . . 0.0 111.147 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 12' ' ' SER . . . . . . . . . . . . . 5.7 m -80.96 161.69 24.2 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.91 178.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 13' ' ' LEU . . . . . 0.408 HD12 HG12 ' F' ' 18' ' ' VAL . 1.0 OUTLIER -61.14 -56.02 25.59 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.28 -179.191 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -67.03 -17.64 65.0 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.986 0.422 . . . . 0.0 111.228 -179.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -71.43 -31.47 67.25 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.965 179.109 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 16' ' ' LEU . . . . . 0.418 ' HA ' HD21 ' E' ' 16' ' ' LEU . 96.0 mt -75.12 -30.32 60.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.477 178.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 17' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -63.69 -16.01 59.92 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.923 -0.58 . . . . 0.0 112.066 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 18' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -72.14 -14.03 61.72 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.973 0.416 . . . . 0.0 110.71 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 19' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -104.91 16.14 26.49 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.217 0.532 . . . . 0.0 110.903 -178.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 20' ' ' CYS . . . . . . . . . . . . . 11.0 m -91.97 155.94 17.79 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.494 -0.775 . . . . 0.0 111.033 179.476 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 21' ' ' ASN . . . . . . . . . . . . . 56.6 m-80 . . . . . 0 C--O 1.247 0.959 0 CA-C-N 115.723 -0.672 . . . . 0.0 109.39 178.667 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' F' F ' 1' ' ' PHE . . . . . . . . . . . . . 66.6 t80 . . . . . 0 N--CA 1.482 1.175 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' F' F ' 2' ' ' VAL . . . . . 0.623 HG13 HD11 ' F' ' 6' ' ' LEU . 11.3 m -115.19 171.62 4.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 C-N-CA 120.462 -0.495 . . . . 0.0 111.053 179.646 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' F' F ' 3' ' ' ASN . . . . . 0.525 ' H ' ' CD1' ' A' ' 10' ' ' ILE . 3.5 t-20 -107.1 -171.5 1.9 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.552 -178.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' F' F ' 4' ' ' GLN . . . . . 0.569 ' CD ' HG13 ' E' ' 3' ' ' VAL . 5.3 tt0 -52.06 -34.14 42.25 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 123.032 0.533 . . . . 0.0 111.153 179.28 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' F' F ' 5' ' ' HIS . . . . . 0.561 ' HB3' HG12 ' A' ' 10' ' ' ILE . 22.9 t60 -55.25 -18.34 5.99 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.747 -0.661 . . . . 0.0 112.646 -178.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' F' F ' 6' ' ' LEU . . . . . 0.635 HD23 ' H4 ' ' A' ' 22' ' ' IPH . 37.7 mt -124.98 -13.88 6.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.938 0.399 . . . . 0.0 111.037 178.568 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' F' F ' 7' ' ' CYS . . . . . 0.405 ' HB3' ' HA ' ' F' ' 4' ' ' GLN . 17.3 t -87.06 -40.06 15.03 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.003 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' F' F ' 8' ' ' GLY . . . . . . . . . . . . . . . -60.71 -30.34 72.26 Favored Glycine 0 C--N 1.331 0.254 0 CA-C-N 115.937 -0.574 . . . . 0.0 113.762 -179.136 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 9' ' ' SER . . . . . 0.988 ' HB2' ' HG2' ' H' ' 13' ' ' GLU . 25.9 p -61.45 -24.18 66.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.952 0.406 . . . . 0.0 111.427 -178.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' F' F ' 10' ' ' HIS . . . . . 0.413 ' HA ' ' HG3' ' F' ' 13' ' ' GLU . 96.5 m-70 -99.07 -17.18 18.37 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.009 -179.09 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' F' F ' 11' ' ' LEU . . . . . 0.656 HD12 ' HB2' ' E' ' 7' ' ' CYS . 70.5 mt -73.68 -39.25 64.53 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 177.547 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' F' F ' 12' ' ' VAL . . . . . 0.889 HG22 HG22 ' H' ' 12' ' ' VAL . 2.9 m -69.1 -28.89 40.95 Favored 'Isoleucine or valine' 0 C--O 1.232 0.137 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.302 179.236 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' F' F ' 13' ' ' GLU . . . . . 0.981 ' HG2' ' HB2' ' H' ' 9' ' ' SER . 40.5 mt-10 -57.61 -47.23 82.77 Favored 'General case' 0 CA--C 1.521 -0.151 0 CA-C-O 121.187 0.517 . . . . 0.0 109.883 179.375 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' F' F ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.13 -29.98 60.69 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.882 179.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 15' ' ' LEU . . . . . 0.46 ' HB2' ' HA ' ' F' ' 12' ' ' VAL . 13.7 mt -55.74 -59.17 5.24 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.867 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' F' F ' 16' ' ' TYR . . . . . 0.927 ' HB3' ' HE2' ' F' ' 24' ' ' PHE . 8.4 p90 -76.72 -17.03 59.33 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 119.91 -0.716 . . . . 0.0 111.02 -179.4 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' F' F ' 17' ' ' LEU . . . . . 0.451 ' HB2' ' O ' ' F' ' 13' ' ' GLU . 9.1 tp -66.96 -42.36 85.3 Favored 'General case' 0 C--O 1.23 0.062 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 178.722 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . 0.408 HG12 HD12 ' E' ' 13' ' ' LEU . 79.8 t -79.83 -42.68 22.53 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 CA-C-N 114.925 -1.034 . . . . 0.0 109.346 178.304 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' F' F ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -87.13 51.87 2.36 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.977 179.689 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' F' F ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.89 129.77 41.78 Favored Glycine 0 N--CA 1.446 -0.666 0 CA-C-N 115.4 -0.818 . . . . 0.0 113.443 -178.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 21' ' ' GLU . . . . . 0.496 ' HA ' ' O ' ' H' ' 28' ' ' PRO . 52.8 mt-10 60.67 29.48 19.04 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 179.238 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' F' F ' 22' ' ' ARG . . . . . . . . . . . . . 18.5 mtt180 -118.38 -104.09 0.41 Allowed 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 178.012 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 23' ' ' GLY . . . . . 0.473 ' HA2' ' HD3' ' H' ' 28' ' ' PRO . . . 157.48 147.86 4.93 Favored Glycine 0 N--CA 1.446 -0.664 0 N-CA-C 111.558 -0.617 . . . . 0.0 111.558 179.695 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' F' F ' 24' ' ' PHE . . . . . 0.927 ' HE2' ' HB3' ' F' ' 16' ' ' TYR . 29.8 p90 -147.32 178.41 8.43 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.771 0.32 . . . . 0.0 110.199 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' F' F ' 25' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -128.05 152.01 48.47 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 178.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 26' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -141.49 125.01 16.69 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.976 0.417 . . . . 0.0 110.673 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 27' ' ' THR . . . . . 0.422 ' HA ' ' HD3' ' F' ' 28' ' ' PRO . 10.3 p -120.34 111.36 35.14 Favored Pre-proline 0 C--N 1.318 -0.761 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.908 179.373 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' F' F ' 28' ' ' PRO . . . . . 0.523 ' O ' ' HA ' ' H' ' 21' ' ' GLU . 9.0 Cg_exo -71.45 70.23 2.58 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 123.346 2.697 . . . . 0.0 111.64 -179.753 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' F' F ' 29' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -121.7 171.99 8.46 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.246 -179.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 30' ' ' THR . . . . . . . . . . . . . 13.2 t . . . . . 0 C--O 1.245 0.861 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 179.413 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' G' G ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.754 0 N-CA-C 111.654 -0.578 . . . . 0.0 111.654 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' G' G ' 2' ' ' ILE . . . . . . . . . . . . . 7.0 tt -164.79 -43.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.011 0.434 . . . . 0.0 111.035 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 3' ' ' VAL . . . . . 0.563 HG13 ' CD ' ' H' ' 4' ' ' GLN . 45.1 t -72.08 -73.67 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 122.225 -0.297 . . . . 0.0 111.612 -179.495 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' G' G ' 4' ' ' GLU . . . . . . . . . . . . . 75.9 tt0 -59.34 -31.7 69.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.083 0.468 . . . . 0.0 110.413 -179.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 5' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -57.97 -39.28 77.78 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.235 179.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 6' ' ' CYS . . . . . . . . . . . . . 71.1 m -102.43 -26.23 13.34 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -178.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 7' ' ' CYS . . . . . 0.689 ' HB2' HD12 ' H' ' 11' ' ' LEU . 41.9 t -86.07 40.85 0.89 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.249 0.547 . . . . 0.0 110.846 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' G' G ' 8' ' ' THR . . . . . 0.404 HG21 ' N ' ' G' ' 9' ' ' SER . 8.4 t -126.84 -43.57 1.69 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 178.168 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' G' G ' 9' ' ' SER . . . . . 0.418 ' O ' ' HB ' ' G' ' 10' ' ' ILE . 69.6 m -158.56 19.96 0.22 Allowed 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.707 -0.224 . . . . 0.0 110.699 179.19 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' G' G ' 10' ' ' ILE . . . . . 0.564 HG12 ' HB3' ' D' ' 5' ' ' HIS . 1.9 mp 72.92 137.09 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 C-N-CA 123.181 0.593 . . . . 0.0 111.251 -179.407 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' G' G ' 11' ' ' CYS . . . . . 0.492 ' N ' HG21 ' G' ' 10' ' ' ILE . 97.8 m -91.83 175.92 6.71 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.064 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' G' G ' 12' ' ' SER . . . . . . . . . . . . . 6.2 m -80.47 161.87 24.66 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.937 178.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 13' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.22 -56.03 25.36 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.798 0.332 . . . . 0.0 111.244 -178.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -67.13 -16.79 64.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.851 0.358 . . . . 0.0 111.259 -179.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -72.02 -32.42 67.14 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.8 179.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 16' ' ' LEU . . . . . . . . . . . . . 96.0 mt -74.26 -30.91 62.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.61 178.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 17' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -62.73 -17.47 60.86 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.965 -179.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 18' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -70.55 -13.88 62.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.858 179.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 19' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -105.35 15.58 27.04 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.21 0.528 . . . . 0.0 110.832 -178.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 20' ' ' CYS . . . . . . . . . . . . . 12.8 m -91.37 155.1 18.73 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.179 179.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 21' ' ' ASN . . . . . . . . . . . . . 61.9 m-80 . . . . . 0 C--O 1.249 1.063 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.907 179.187 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' H' H ' 1' ' ' PHE . . . . . . . . . . . . . 67.6 t80 . . . . . 0 N--CA 1.482 1.157 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' H' H ' 2' ' ' VAL . . . . . 0.637 HG13 HD11 ' H' ' 6' ' ' LEU . 10.1 m -116.44 170.42 6.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.957 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' H' H ' 3' ' ' ASN . . . . . 0.516 ' H ' ' CD1' ' K' ' 10' ' ' ILE . 3.1 t-20 -105.73 -169.78 1.64 Allowed 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.896 -178.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' H' H ' 4' ' ' GLN . . . . . 0.563 ' CD ' HG13 ' G' ' 3' ' ' VAL . 5.3 tt0 -53.54 -34.77 59.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.072 179.395 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' H' H ' 5' ' ' HIS . . . . . 0.565 ' HB3' HG12 ' K' ' 10' ' ' ILE . 23.7 t60 -54.33 -18.66 4.28 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.681 -0.69 . . . . 0.0 112.783 -179.083 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' H' H ' 6' ' ' LEU . . . . . 0.651 HD23 ' H4 ' ' K' ' 22' ' ' IPH . 35.8 mt -124.67 -14.36 6.8 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.986 0.422 . . . . 0.0 110.941 178.795 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' H' H ' 7' ' ' CYS . . . . . . . . . . . . . 18.5 t -86.76 -40.29 15.15 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.146 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' H' H ' 8' ' ' GLY . . . . . . . . . . . . . . . -60.65 -30.36 72.09 Favored Glycine 0 C--N 1.33 0.249 0 CA-C-N 116.061 -0.518 . . . . 0.0 113.764 -179.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' H' H ' 9' ' ' SER . . . . . 0.981 ' HB2' ' HG2' ' F' ' 13' ' ' GLU . 32.5 p -61.23 -24.47 66.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.021 0.438 . . . . 0.0 111.697 -179.091 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' H' H ' 10' ' ' HIS . . . . . 0.424 ' HA ' ' HG3' ' H' ' 13' ' ' GLU . 97.2 m-70 -98.79 -17.04 18.68 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.934 -179.248 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' H' H ' 11' ' ' LEU . . . . . 0.689 HD12 ' HB2' ' G' ' 7' ' ' CYS . 71.5 mt -73.67 -39.64 64.29 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 177.607 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' H' H ' 12' ' ' VAL . . . . . 0.889 HG22 HG22 ' F' ' 12' ' ' VAL . 3.0 m -68.96 -28.57 40.07 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.305 179.255 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' H' H ' 13' ' ' GLU . . . . . 0.988 ' HG2' ' HB2' ' F' ' 9' ' ' SER . 39.1 mt-10 -57.73 -47.47 82.33 Favored 'General case' 0 CA--C 1.522 -0.118 0 CA-C-O 121.181 0.515 . . . . 0.0 109.743 179.527 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' H' H ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.13 -29.87 60.65 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.944 179.339 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' H' H ' 15' ' ' LEU . . . . . 0.452 ' HB2' ' HA ' ' H' ' 12' ' ' VAL . 13.6 mt -55.74 -59.01 5.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.8 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' H' H ' 16' ' ' TYR . . . . . 0.948 ' HB3' ' HE2' ' H' ' 24' ' ' PHE . 8.6 p90 -76.68 -17.57 59.05 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 119.832 -0.747 . . . . 0.0 110.95 -179.263 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' H' H ' 17' ' ' LEU . . . . . 0.448 ' HB2' ' O ' ' H' ' 13' ' ' GLU . 8.9 tp -66.14 -43.12 87.98 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 178.807 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 74.8 t -78.73 -45.0 25.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 114.876 -1.056 . . . . 0.0 109.097 178.115 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' H' H ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -84.76 51.47 2.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.068 -0.969 . . . . 0.0 110.31 179.589 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' H' H ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.1 127.98 38.98 Favored Glycine 0 N--CA 1.448 -0.515 0 CA-C-N 115.443 -0.799 . . . . 0.0 113.477 -178.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' H' H ' 21' ' ' GLU . . . . . 0.523 ' HA ' ' O ' ' F' ' 28' ' ' PRO . 53.1 mt-10 62.06 30.49 17.89 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 179.254 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' H' H ' 22' ' ' ARG . . . . . . . . . . . . . 17.6 mtt180 -119.15 -103.85 0.41 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 177.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' H' H ' 23' ' ' GLY . . . . . 0.452 ' HA2' ' HD3' ' F' ' 28' ' ' PRO . . . 156.94 147.36 4.75 Favored Glycine 0 N--CA 1.442 -0.917 0 N-CA-C 111.523 -0.631 . . . . 0.0 111.523 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' H' H ' 24' ' ' PHE . . . . . 0.948 ' HE2' ' HB3' ' H' ' 16' ' ' TYR . 30.5 p90 -146.67 179.38 7.6 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.791 0.329 . . . . 0.0 110.177 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' H' H ' 25' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -129.21 151.5 49.81 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.532 178.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' H' H ' 26' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -141.12 124.32 16.47 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.055 0.455 . . . . 0.0 110.989 -179.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' H' H ' 27' ' ' THR . . . . . . . . . . . . . 10.8 p -119.38 111.91 36.21 Favored Pre-proline 0 C--N 1.319 -0.731 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.806 179.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' H' H ' 28' ' ' PRO . . . . . 0.508 ' HA ' ' OE1' ' H' ' 4' ' ' GLN . 9.9 Cg_exo -71.87 70.65 2.83 Favored 'Trans proline' 0 N--CA 1.464 -0.248 0 C-N-CA 123.151 2.567 . . . . 0.0 111.341 -179.756 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' H' H ' 29' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -121.75 172.4 8.17 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.231 -179.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' H' H ' 30' ' ' THR . . . . . . . . . . . . . 14.7 t . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.787 -0.625 . . . . 0.0 109.549 179.882 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' I' I ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.008 0 N-CA-C 112.326 -0.31 . . . . 0.0 112.326 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' I' I ' 2' ' ' ILE . . . . . . . . . . . . . 7.0 tt -163.28 -43.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.36 0.124 . . . . 0.0 110.913 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 3' ' ' VAL . . . . . 0.575 HG12 ' CD ' ' J' ' 4' ' ' GLN . 44.8 t -70.81 -75.66 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.642 0.258 . . . . 0.0 111.442 -179.298 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' I' I ' 4' ' ' GLU . . . . . . . . . . . . . 74.4 tt0 -56.85 -34.43 67.78 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.941 0.4 . . . . 0.0 110.485 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 5' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -55.87 -38.99 70.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.439 179.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 6' ' ' CYS . . . . . . . . . . . . . 71.6 m -102.33 -27.89 12.57 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -179.083 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 7' ' ' CYS . . . . . 0.676 ' HB2' HD12 ' J' ' 11' ' ' LEU . 42.3 t -84.69 41.06 0.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.489 0.661 . . . . 0.0 110.925 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' I' I ' 8' ' ' THR . . . . . 0.41 HG21 ' N ' ' I' ' 9' ' ' SER . 7.7 t -127.18 -42.5 1.7 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 178.015 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' I' I ' 9' ' ' SER . . . . . 0.424 ' O ' ' HB ' ' I' ' 10' ' ' ILE . 72.5 m -160.01 20.47 0.16 Allowed 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 120.618 0.247 . . . . 0.0 110.566 179.111 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' I' I ' 10' ' ' ILE . . . . . 0.579 HD13 ' HB ' ' B' ' 2' ' ' VAL . 1.9 mp 72.44 138.37 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 C-N-CA 123.335 0.654 . . . . 0.0 111.471 -179.593 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' I' I ' 11' ' ' CYS . . . . . 0.497 ' N ' HG21 ' I' ' 10' ' ' ILE . 99.1 m -93.18 175.53 6.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.992 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' I' I ' 12' ' ' SER . . . . . . . . . . . . . 10.4 m -79.48 162.05 25.68 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.908 179.013 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 13' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.22 -56.47 20.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.136 -179.344 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -66.52 -17.24 64.7 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.846 0.355 . . . . 0.0 111.411 -179.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -71.95 -31.86 66.73 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.765 -0.458 . . . . 0.0 109.765 179.33 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 16' ' ' LEU . . . . . . . . . . . . . 96.0 mt -74.81 -30.56 61.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.602 178.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 17' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -63.61 -15.23 57.62 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.881 -0.6 . . . . 0.0 112.058 -179.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 18' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -72.78 -14.19 61.48 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.956 0.407 . . . . 0.0 110.685 179.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 19' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -104.76 16.28 26.3 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.356 0.598 . . . . 0.0 110.799 -178.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 20' ' ' CYS . . . . . . . . . . . . . 11.3 m -92.07 155.31 18.16 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.254 179.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 21' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 . . . . . 0 C--O 1.246 0.892 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.568 178.918 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' J' J ' 1' ' ' PHE . . . . . . . . . . . . . 66.2 t80 . . . . . 0 N--CA 1.484 1.262 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' J' J ' 2' ' ' VAL . . . . . 0.613 HG13 HD11 ' J' ' 6' ' ' LEU . 10.7 m -115.77 170.1 5.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 C-N-CA 120.476 -0.489 . . . . 0.0 110.998 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' J' J ' 3' ' ' ASN . . . . . 0.515 ' H ' ' CD1' ' E' ' 10' ' ' ILE . 3.1 t-20 -105.75 -171.0 1.82 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.57 -178.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' J' J ' 4' ' ' GLN . . . . . 0.575 ' CD ' HG12 ' I' ' 3' ' ' VAL . 5.2 tt0 -52.2 -34.87 47.34 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 122.952 0.501 . . . . 0.0 111.2 179.368 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' J' J ' 5' ' ' HIS . . . . . 0.553 ' HB3' HG12 ' E' ' 10' ' ' ILE . 25.3 t60 -54.65 -18.28 4.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.74 -0.664 . . . . 0.0 112.554 -178.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' J' J ' 6' ' ' LEU . . . . . 0.648 HD23 ' H4 ' ' E' ' 22' ' ' IPH . 33.7 mt -124.84 -14.52 6.68 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.964 0.411 . . . . 0.0 110.995 178.659 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' J' J ' 7' ' ' CYS . . . . . . . . . . . . . 23.3 t -86.5 -40.8 14.93 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.945 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' J' J ' 8' ' ' GLY . . . . . . . . . . . . . . . -60.2 -30.3 70.46 Favored Glycine 0 N--CA 1.451 -0.329 0 CA-C-N 116.112 -0.495 . . . . 0.0 113.896 -179.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' J' J ' 9' ' ' SER . . . . . 0.973 ' HB2' ' HG2' ' L' ' 13' ' ' GLU . 25.9 p -61.59 -24.18 66.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.865 0.364 . . . . 0.0 111.499 -179.211 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' J' J ' 10' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -98.91 -17.08 18.55 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.055 0.455 . . . . 0.0 111.008 -179.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' J' J ' 11' ' ' LEU . . . . . 0.676 HD12 ' HB2' ' I' ' 7' ' ' CYS . 73.5 mt -73.87 -39.11 64.18 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.656 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' J' J ' 12' ' ' VAL . . . . . 0.879 HG22 HG22 ' L' ' 12' ' ' VAL . 3.0 m -69.43 -28.41 38.07 Favored 'Isoleucine or valine' 0 C--O 1.232 0.158 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.386 179.15 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' J' J ' 13' ' ' GLU . . . . . 0.962 ' HG2' ' HB2' ' L' ' 9' ' ' SER . 40.8 mt-10 -57.99 -47.11 83.96 Favored 'General case' 0 CA--C 1.522 -0.134 0 CA-C-O 121.164 0.507 . . . . 0.0 109.853 179.351 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' J' J ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.4 -29.87 59.92 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.754 179.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' J' J ' 15' ' ' LEU . . . . . 0.448 ' HB2' ' HA ' ' J' ' 12' ' ' VAL . 13.7 mt -55.69 -59.14 5.27 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.76 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' J' J ' 16' ' ' TYR . . . . . 0.95 ' HB3' ' HE2' ' J' ' 24' ' ' PHE . 8.6 p90 -76.64 -17.66 59.03 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 119.932 -0.707 . . . . 0.0 110.955 -179.274 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' J' J ' 17' ' ' LEU . . . . . 0.461 ' HB2' ' O ' ' J' ' 13' ' ' GLU . 8.8 tp -66.54 -41.6 88.46 Favored 'General case' 0 C--O 1.232 0.179 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 178.743 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 82.1 t -80.75 -42.72 20.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 114.935 -1.03 . . . . 0.0 109.136 178.16 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' J' J ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -86.49 50.75 2.06 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.122 179.642 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' J' J ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.48 129.55 45.26 Favored Glycine 0 N--CA 1.448 -0.516 0 CA-C-N 115.575 -0.739 . . . . 0.0 113.259 -179.05 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' J' J ' 21' ' ' GLU . . . . . 0.513 ' HA ' ' O ' ' L' ' 28' ' ' PRO . 53.1 mt-10 59.63 30.34 19.96 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 179.29 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' J' J ' 22' ' ' ARG . . . . . . . . . . . . . 16.0 mtt180 -118.4 -104.09 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 177.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' J' J ' 23' ' ' GLY . . . . . 0.448 ' HA2' ' HD3' ' L' ' 28' ' ' PRO . . . 157.2 147.24 4.72 Favored Glycine 0 N--CA 1.444 -0.786 0 N-CA-C 111.539 -0.625 . . . . 0.0 111.539 179.561 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' J' J ' 24' ' ' PHE . . . . . 0.95 ' HE2' ' HB3' ' J' ' 16' ' ' TYR . 31.2 p90 -145.69 -179.51 6.73 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' J' J ' 25' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -130.41 150.86 51.45 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 178.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' J' J ' 26' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -140.54 125.24 18.07 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.124 0.487 . . . . 0.0 110.877 -179.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' J' J ' 27' ' ' THR . . . . . . . . . . . . . 12.8 p -120.45 111.86 34.63 Favored Pre-proline 0 C--N 1.32 -0.686 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.038 179.199 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' J' J ' 28' ' ' PRO . . . . . 0.538 ' HA ' ' OE1' ' J' ' 4' ' ' GLN . 8.9 Cg_exo -71.55 70.34 2.64 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 123.307 2.671 . . . . 0.0 111.438 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' J' J ' 29' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -121.54 172.92 7.73 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.039 -179.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' J' J ' 30' ' ' THR . . . . . . . . . . . . . 14.5 t . . . . . 0 C--O 1.25 1.128 0 CA-C-O 118.874 -0.584 . . . . 0.0 109.68 179.818 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.738 0 N-CA-C 112.184 -0.366 . . . . 0.0 112.184 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' K' K ' 2' ' ' ILE . . . . . . . . . . . . . 6.6 tt -164.2 -42.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-O 121.109 0.481 . . . . 0.0 110.968 179.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' K' K ' 3' ' ' VAL . . . . . 0.588 HG13 ' CD ' ' L' ' 4' ' ' GLN . 46.4 t -72.32 -73.93 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.565 -179.271 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' K' K ' 4' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -58.46 -33.81 70.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.02 0.438 . . . . 0.0 110.593 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' K' K ' 5' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -56.39 -38.45 71.49 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.533 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' K' K ' 6' ' ' CYS . . . . . . . . . . . . . 72.7 m -102.84 -27.48 12.64 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.135 0.421 . . . . 0.0 112.135 -179.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' K' K ' 7' ' ' CYS . . . . . 0.672 ' HB2' HD12 ' L' ' 11' ' ' LEU . 42.7 t -85.43 41.72 0.91 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.374 0.607 . . . . 0.0 110.849 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' K' K ' 8' ' ' THR . . . . . 0.402 HG21 ' N ' ' K' ' 9' ' ' SER . 7.8 t -127.69 -43.92 1.53 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 178.054 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' K' K ' 9' ' ' SER . . . . . 0.434 ' O ' ' HB ' ' K' ' 10' ' ' ILE . 64.5 m -158.49 20.08 0.22 Allowed 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.761 -0.2 . . . . 0.0 110.749 179.09 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' K' K ' 10' ' ' ILE . . . . . 0.565 HG12 ' HB3' ' H' ' 5' ' ' HIS . 1.9 mp 72.99 136.87 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 C-N-CA 123.287 0.635 . . . . 0.0 111.243 -179.53 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' K' K ' 11' ' ' CYS . . . . . 0.489 ' N ' HG21 ' K' ' 10' ' ' ILE . 98.6 m -91.46 175.75 6.81 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.185 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' K' K ' 12' ' ' SER . . . . . . . . . . . . . 11.3 m -79.95 163.09 24.55 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.926 178.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' K' K ' 13' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.02 -55.78 25.69 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.719 0.295 . . . . 0.0 111.42 -179.129 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -66.9 -19.1 65.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.928 0.394 . . . . 0.0 111.073 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' K' K ' 15' ' ' GLN . . . . . 0.42 HE21 ' HB2' ' K' ' 15' ' ' GLN . 6.4 tt0 -69.49 -32.59 71.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.057 179.118 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' K' K ' 16' ' ' LEU . . . . . 0.411 ' HA ' HD21 ' K' ' 16' ' ' LEU . 96.1 mt -74.41 -30.68 62.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.6 178.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' K' K ' 17' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -63.09 -16.76 61.03 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.924 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' K' K ' 18' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -72.05 -11.6 60.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.831 0.348 . . . . 0.0 110.827 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' K' K ' 19' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -107.16 15.81 24.76 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.226 0.536 . . . . 0.0 110.694 -179.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' K' K ' 20' ' ' CYS . . . . . . . . . . . . . 11.4 m -92.28 155.34 18.02 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.459 -0.792 . . . . 0.0 111.174 179.53 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' K' K ' 21' ' ' ASN . . . . . . . . . . . . . 55.4 m-80 . . . . . 0 C--O 1.248 0.979 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.914 179.191 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' L' L ' 1' ' ' PHE . . . . . . . . . . . . . 66.5 t80 . . . . . 0 N--CA 1.483 1.179 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' L' L ' 2' ' ' VAL . . . . . 0.628 HG13 HD11 ' L' ' 6' ' ' LEU . 10.2 m -115.08 171.56 4.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.912 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' L' L ' 3' ' ' ASN . . . . . 0.516 ' H ' ' CD1' ' C' ' 10' ' ' ILE . 3.8 t-20 -106.65 -170.16 1.67 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.433 -179.145 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' L' L ' 4' ' ' GLN . . . . . 0.588 ' CD ' HG13 ' K' ' 3' ' ' VAL . 5.5 tt0 -52.94 -34.75 56.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.169 179.307 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' L' L ' 5' ' ' HIS . . . . . 0.573 ' HB3' HG12 ' C' ' 10' ' ' ILE . 23.3 t60 -54.43 -18.87 4.67 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.54 -0.754 . . . . 0.0 112.689 -178.782 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' L' L ' 6' ' ' LEU . . . . . 0.654 HD23 ' H4 ' ' C' ' 22' ' ' IPH . 36.0 mt -124.59 -14.53 6.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.836 0.351 . . . . 0.0 111.077 178.658 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' L' L ' 7' ' ' CYS . . . . . . . . . . . . . 19.4 t -86.34 -40.53 15.36 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' L' L ' 8' ' ' GLY . . . . . . . . . . . . . . . -60.72 -30.05 71.58 Favored Glycine 0 N--CA 1.452 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 113.862 -179.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' L' L ' 9' ' ' SER . . . . . 0.962 ' HB2' ' HG2' ' J' ' 13' ' ' GLU . 25.1 p -61.65 -24.31 66.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.924 0.392 . . . . 0.0 111.521 -179.223 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' L' L ' 10' ' ' HIS . . . . . 0.403 ' HA ' ' HG3' ' L' ' 13' ' ' GLU . 96.8 m-70 -98.94 -16.82 18.63 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.95 -179.222 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' L' L ' 11' ' ' LEU . . . . . 0.672 HD12 ' HB2' ' K' ' 7' ' ' CYS . 71.3 mt -74.14 -38.92 63.61 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.301 -0.999 . . . . 0.0 108.301 177.652 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' L' L ' 12' ' ' VAL . . . . . 0.879 HG22 HG22 ' J' ' 12' ' ' VAL . 2.9 m -69.63 -28.3 37.01 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.383 179.235 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' L' L ' 13' ' ' GLU . . . . . 0.973 ' HG2' ' HB2' ' J' ' 9' ' ' SER . 40.8 mt-10 -58.07 -47.17 83.98 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-O 121.158 0.504 . . . . 0.0 109.716 179.191 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' L' L ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.91 -30.68 61.34 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.648 179.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' L' L ' 15' ' ' LEU . . . . . 0.463 ' HB2' ' HA ' ' L' ' 12' ' ' VAL . 14.0 mt -54.98 -59.28 4.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.925 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' L' L ' 16' ' ' TYR . . . . . 0.955 ' HB3' ' HE2' ' L' ' 24' ' ' PHE . 8.7 p90 -76.88 -17.37 59.0 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 119.862 -0.735 . . . . 0.0 110.916 -179.087 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' L' L ' 17' ' ' LEU . . . . . 0.46 ' HB2' ' O ' ' L' ' 13' ' ' GLU . 9.1 tp -65.95 -44.41 85.1 Favored 'General case' 0 C--O 1.232 0.149 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 178.567 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 78.4 t -77.98 -42.28 27.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 114.794 -1.094 . . . . 0.0 109.593 178.187 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' L' L ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -87.24 50.78 2.07 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.145 179.73 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' L' L ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.61 128.55 43.49 Favored Glycine 0 N--CA 1.447 -0.607 0 CA-C-N 115.446 -0.797 . . . . 0.0 113.418 -178.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' L' L ' 21' ' ' GLU . . . . . 0.511 ' HA ' ' O ' ' J' ' 28' ' ' PRO . 52.3 mt-10 61.35 28.82 18.21 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.84 0.682 . . . . 0.0 112.84 179.166 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' L' L ' 22' ' ' ARG . . . . . . . . . . . . . 17.9 mtt180 -117.37 -104.12 0.41 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 178.083 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' L' L ' 23' ' ' GLY . . . . . 0.42 ' HA2' ' HD3' ' J' ' 28' ' ' PRO . . . 157.49 147.14 4.7 Favored Glycine 0 N--CA 1.444 -0.802 0 N-CA-C 111.332 -0.707 . . . . 0.0 111.332 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' L' L ' 24' ' ' PHE . . . . . 0.955 ' HE2' ' HB3' ' L' ' 16' ' ' TYR . 30.5 p90 -146.55 178.75 8.05 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.858 0.361 . . . . 0.0 110.322 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' L' L ' 25' ' ' PHE . . . . . . . . . . . . . 5.6 p90 -128.92 150.94 50.16 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.672 178.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' L' L ' 26' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -140.44 125.54 18.53 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.872 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' L' L ' 27' ' ' THR . . . . . 0.42 ' HA ' ' HD3' ' L' ' 28' ' ' PRO . 11.7 p -120.78 111.66 34.26 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.853 179.348 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' L' L ' 28' ' ' PRO . . . . . 0.524 ' HA ' ' OE1' ' L' ' 4' ' ' GLN . 9.2 Cg_exo -71.34 69.61 2.56 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 123.403 2.736 . . . . 0.0 111.619 -179.761 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' L' L ' 29' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -119.97 175.1 6.07 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.053 -179.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' L' L ' 30' ' ' THR . . . . . . . . . . . . . 13.0 t . . . . . 0 C--O 1.248 0.984 0 CA-C-O 118.816 -0.611 . . . . 0.0 109.789 179.763 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' IPH . . . . . 0.635 ' H4 ' HD23 ' F' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 22' ' ' IPH . . . . . 0.654 ' H4 ' HD23 ' L' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 22' ' ' IPH . . . . . 0.648 ' H4 ' HD23 ' J' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 22' ' ' IPH . . . . . 0.63 ' H4 ' HD23 ' D' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 22' ' ' IPH . . . . . 0.639 ' H4 ' HD23 ' B' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' K' K ' 22' ' ' IPH . . . . . 0.651 ' H4 ' HD23 ' H' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.599 0 N-CA-C 112.066 -0.414 . . . . 0.0 112.066 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.502 HD13 HD12 ' B' ' 15' ' ' LEU . 13.3 tt -139.49 -38.12 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 CA-C-N 116.946 0.373 . . . . 0.0 111.792 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.524 HG21 ' O ' ' B' ' 30' ' ' THR . 14.1 m -67.49 -50.81 58.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -179.059 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.402 ' OE1' HG22 ' A' ' 3' ' ' VAL . 2.9 mp0 -75.53 -10.39 59.41 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.741 0.305 . . . . 0.0 111.505 179.608 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -90.46 -36.27 14.64 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.857 0.36 . . . . 0.0 110.866 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 81.1 m -104.27 -34.78 8.22 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 -178.069 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.473 ' HB2' HD12 ' B' ' 11' ' ' LEU . 8.2 t -86.1 35.88 0.66 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.32 0.581 . . . . 0.0 110.818 -179.648 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.659 HG21 ' H ' ' A' ' 9' ' ' SER . 5.7 t -119.37 -62.73 1.47 Allowed 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 178.268 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.659 ' H ' HG21 ' A' ' 8' ' ' THR . 53.5 m -135.72 21.48 3.33 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 121.496 -0.753 . . . . 0.0 110.644 178.174 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.742 HD13 HG13 ' F' ' 2' ' ' VAL . 2.7 mp 76.0 136.51 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 C-N-CA 123.563 0.745 . . . . 0.0 110.358 -178.638 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 47.1 m -91.38 173.21 8.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.974 0.416 . . . . 0.0 111.051 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.582 ' HB3' ' HG3' ' A' ' 15' ' ' GLN . 43.2 t -86.38 152.19 22.92 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 177.676 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.447 ' HG ' HG23 ' B' ' 18' ' ' VAL . 9.3 tt -60.02 -32.98 71.4 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.132 0.491 . . . . 0.0 110.044 -179.64 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -73.15 -30.8 63.84 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.064 179.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.582 ' HG3' ' HB3' ' A' ' 12' ' ' SER . 87.6 mt-30 -70.41 -33.18 71.05 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.951 179.775 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 77.5 mt -67.47 -28.46 67.88 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.924 0.392 . . . . 0.0 110.705 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.655 ' HA ' ' SG ' ' A' ' 20' ' ' CYS . 67.4 tt0 -72.49 -13.07 61.34 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 121.094 0.473 . . . . 0.0 110.494 179.583 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.489 ' HB2' ' O ' ' A' ' 15' ' ' GLN . 3.9 m120 -69.86 -16.51 63.26 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.274 178.669 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -107.35 7.76 29.32 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.234 -179.035 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.655 ' SG ' ' HA ' ' A' ' 17' ' ' GLU . 87.4 m -76.32 83.02 3.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.887 0.375 . . . . 0.0 111.77 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.248 0.976 0 CA-C-O 118.297 -0.858 . . . . 0.0 111.125 178.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 18.9 t80 . . . . . 0 N--CA 1.482 1.125 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . 0.89 ' HB ' HD13 ' B' ' 6' ' ' LEU . 13.9 m -65.51 102.29 0.42 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 CA-C-O 121.353 0.596 . . . . 0.0 110.776 179.737 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . 0.555 ' O ' ' HB3' ' B' ' 7' ' ' CYS . 45.3 t30 -164.72 -68.49 0.04 OUTLIER 'General case' 0 C--O 1.214 -0.797 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.313 -179.242 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -54.12 -46.67 72.23 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.027 0.442 . . . . 0.0 111.808 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 51.9 t60 -81.08 -2.26 47.5 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -178.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.89 HD13 ' HB ' ' B' ' 2' ' ' VAL . 24.2 mt -116.12 -27.57 6.86 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.309 0.576 . . . . 0.0 110.7 179.34 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . 0.555 ' HB3' ' O ' ' B' ' 3' ' ' ASN . 0.0 OUTLIER -92.16 -36.69 13.15 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.112 -178.543 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.49 -33.85 59.33 Favored Glycine 0 C--N 1.334 0.46 0 C-N-CA 121.225 -0.512 . . . . 0.0 113.178 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' SER . . . . . 0.855 ' HB2' ' HG2' ' D' ' 13' ' ' GLU . 83.2 p -67.54 -11.82 58.91 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.955 0.407 . . . . 0.0 111.905 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . 0.674 ' HA ' ' HG3' ' B' ' 13' ' ' GLU . 99.0 m-70 -110.96 -15.65 13.71 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.809 -179.551 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.604 HD21 ' H3 ' ' A' ' 22' ' ' IPH . 19.6 mt -72.02 -32.2 66.93 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 177.562 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.637 ' HA ' ' HB2' ' B' ' 15' ' ' LEU . 1.3 m -68.19 -27.95 39.02 Favored 'Isoleucine or valine' 0 C--O 1.232 0.136 0 CA-C-N 114.896 -1.047 . . . . 0.0 111.166 179.021 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.877 ' HG2' ' HB2' ' D' ' 9' ' ' SER . 18.3 mt-10 -61.52 -38.44 87.41 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 178.753 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -80.36 -30.14 37.95 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 114.88 -1.055 . . . . 0.0 110.414 178.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.637 ' HB2' ' HA ' ' B' ' 12' ' ' VAL . 11.2 mt -59.73 -61.79 2.36 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.926 179.736 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . 0.958 ' HB3' ' HE2' ' B' ' 24' ' ' PHE . 2.4 p90 -73.6 -4.32 33.37 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 119.848 -0.741 . . . . 0.0 110.691 -179.141 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.848 HD13 ' H5 ' ' G' ' 22' ' ' IPH . 9.1 tt -77.85 -45.83 23.17 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 177.524 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.447 HG23 ' HG ' ' A' ' 13' ' ' LEU . 91.4 t -73.58 -44.01 53.98 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.975 178.787 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 75.1 m -67.38 -27.27 66.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.511 179.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.14 -100.95 0.62 Allowed Glycine 0 C--N 1.332 0.308 0 CA-C-N 116.046 -0.525 . . . . 0.0 113.005 179.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.711 ' HB2' ' HD2' ' D' ' 29' ' ' LYS . 16.9 pt-20 -91.8 -14.62 29.52 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.054 0.454 . . . . 0.0 110.429 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 86.2 mtm180 -77.14 140.58 40.26 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.131 179.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . 0.637 ' HA3' HG21 ' D' ' 27' ' ' THR . . . -85.32 -177.87 50.67 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.722 -0.752 . . . . 0.0 111.574 179.525 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . 0.958 ' HE2' ' HB3' ' B' ' 16' ' ' TYR . 14.9 p90 -154.9 167.46 30.21 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.203 0.525 . . . . 0.0 111.064 179.669 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -114.54 120.31 39.78 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 179.277 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -119.98 120.71 37.13 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.131 0.491 . . . . 0.0 111.603 -178.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' THR . . . . . 0.624 HG21 ' HA3' ' D' ' 23' ' ' GLY . 1.3 p -116.08 111.23 42.88 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.366 179.033 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . 0.539 ' HD3' ' HA2' ' D' ' 23' ' ' GLY . 15.5 Cg_exo -69.29 -10.81 29.93 Favored 'Trans proline' 0 N--CA 1.471 0.163 0 C-N-CA 123.222 2.614 . . . . 0.0 113.819 -178.06 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.664 ' HD2' ' HB2' ' D' ' 21' ' ' GLU . 79.4 tttt -102.45 -11.38 18.63 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.872 0.368 . . . . 0.0 110.991 -179.243 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' THR . . . . . 0.524 ' O ' HG21 ' A' ' 3' ' ' VAL . 58.5 m . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.542 -0.742 . . . . 0.0 110.07 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.62 0 N-CA-C 112.022 -0.431 . . . . 0.0 112.022 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 2' ' ' ILE . . . . . 0.503 HD13 HD12 ' D' ' 15' ' ' LEU . 12.3 tt -140.34 -38.16 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.838 0.351 . . . . 0.0 111.523 -179.734 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 3' ' ' VAL . . . . . 0.568 HG21 ' O ' ' D' ' 30' ' ' THR . 13.8 m -67.33 -50.44 62.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 C-N-CA 120.506 -0.477 . . . . 0.0 112.07 -179.327 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 4' ' ' GLU . . . . . 0.435 ' OE1' HG22 ' C' ' 3' ' ' VAL . 3.2 mp0 -76.84 -9.15 58.48 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.708 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -91.05 -36.71 13.88 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.604 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 84.3 m -104.0 -35.31 8.15 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 113.099 0.778 . . . . 0.0 113.099 -178.229 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 7' ' ' CYS . . . . . 0.459 ' HB2' HD12 ' D' ' 11' ' ' LEU . 8.0 t -85.59 36.66 0.66 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.273 0.558 . . . . 0.0 110.813 -179.748 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 8' ' ' THR . . . . . 0.682 HG21 ' H ' ' C' ' 9' ' ' SER . 4.9 t -119.55 -63.74 1.35 Allowed 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 178.255 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 9' ' ' SER . . . . . 0.682 ' H ' HG21 ' C' ' 8' ' ' THR . 62.0 m -135.42 21.35 3.39 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 121.654 -0.653 . . . . 0.0 110.606 178.121 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . 0.757 HD13 HG13 ' L' ' 2' ' ' VAL . 2.7 mp 76.4 135.97 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 123.557 0.743 . . . . 0.0 110.426 -179.024 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 53.4 m -90.83 173.07 8.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.191 0.52 . . . . 0.0 111.388 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 12' ' ' SER . . . . . 0.58 ' HB3' ' HG3' ' C' ' 15' ' ' GLN . 40.4 t -86.43 151.11 23.8 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 177.676 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 13' ' ' LEU . . . . . 0.441 ' HG ' HG23 ' D' ' 18' ' ' VAL . 9.5 tt -59.16 -33.53 71.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.107 0.479 . . . . 0.0 110.218 -179.61 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -72.21 -31.8 66.19 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.91 179.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . 0.58 ' HG3' ' HB3' ' C' ' 12' ' ' SER . 87.2 mt-30 -69.61 -33.33 72.52 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.097 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 75.2 mt -67.15 -28.81 68.44 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.84 0.352 . . . . 0.0 110.633 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 17' ' ' GLU . . . . . 0.672 ' HA ' ' SG ' ' C' ' 20' ' ' CYS . 68.1 tt0 -71.96 -13.5 61.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.551 179.501 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 18' ' ' ASN . . . . . 0.519 ' HB2' ' O ' ' C' ' 15' ' ' GLN . 3.8 m120 -69.15 -18.48 63.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.109 0.481 . . . . 0.0 110.298 178.754 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -105.82 8.02 32.59 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.27 -178.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 20' ' ' CYS . . . . . 0.672 ' SG ' ' HA ' ' C' ' 17' ' ' GLU . 85.9 m -76.53 82.24 3.22 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.795 -179.783 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 21' ' ' ASN . . . . . 0.429 HD21 ' HA ' ' C' ' 21' ' ' ASN . 0.4 OUTLIER . . . . . 0 C--O 1.25 1.087 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.35 178.605 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 16.2 t80 . . . . . 0 N--CA 1.479 0.995 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 2' ' ' VAL . . . . . 0.865 ' HB ' HD13 ' D' ' 6' ' ' LEU . 14.3 m -65.29 102.93 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 CA-C-O 121.379 0.609 . . . . 0.0 110.478 179.805 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 3' ' ' ASN . . . . . 0.543 ' O ' ' HB3' ' D' ' 7' ' ' CYS . 46.9 t30 -165.59 -69.59 0.03 OUTLIER 'General case' 0 C--O 1.215 -0.729 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.039 -179.171 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -53.43 -45.93 69.63 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.964 0.412 . . . . 0.0 112.043 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 5' ' ' HIS . . . . . . . . . . . . . 50.9 t60 -81.79 -2.7 51.75 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -178.146 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 6' ' ' LEU . . . . . 0.865 HD13 ' HB ' ' D' ' 2' ' ' VAL . 23.5 mt -115.42 -27.52 7.16 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.293 0.568 . . . . 0.0 110.809 179.476 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 7' ' ' CYS . . . . . 0.543 ' HB3' ' O ' ' D' ' 3' ' ' ASN . 0.0 OUTLIER -92.05 -36.85 13.14 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.135 -178.477 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' D' D ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.27 -34.21 58.89 Favored Glycine 0 C--N 1.336 0.561 0 C-N-CA 121.173 -0.537 . . . . 0.0 113.211 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 9' ' ' SER . . . . . 0.877 ' HB2' ' HG2' ' B' ' 13' ' ' GLU . 86.1 p -67.09 -12.39 59.82 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.886 0.374 . . . . 0.0 111.94 -179.689 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 10' ' ' HIS . . . . . 0.683 ' HA ' ' HG3' ' D' ' 13' ' ' GLU . 99.0 m-70 -110.51 -15.99 13.77 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 120.834 0.349 . . . . 0.0 110.877 -179.523 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 11' ' ' LEU . . . . . 0.619 HD21 ' H3 ' ' C' ' 22' ' ' IPH . 20.7 mt -71.8 -32.17 67.33 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 177.567 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . 0.627 ' HA ' ' HB2' ' D' ' 15' ' ' LEU . 1.5 m -68.18 -28.2 39.99 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 CA-C-N 114.958 -1.019 . . . . 0.0 111.322 178.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 13' ' ' GLU . . . . . 0.855 ' HG2' ' HB2' ' B' ' 9' ' ' SER . 17.6 mt-10 -61.31 -38.49 87.04 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 178.586 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -80.07 -30.67 39.35 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 114.801 -1.09 . . . . 0.0 110.401 179.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 15' ' ' LEU . . . . . 0.627 ' HB2' ' HA ' ' D' ' 12' ' ' VAL . 11.1 mt -59.54 -61.97 2.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.97 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 16' ' ' TYR . . . . . 0.992 ' HB3' ' HE2' ' D' ' 24' ' ' PHE . 2.3 p90 -73.01 -5.09 36.5 Favored 'General case' 0 CA--C 1.528 0.103 0 C-N-CA 119.921 -0.712 . . . . 0.0 110.841 -179.333 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . 0.832 HD13 ' H5 ' ' I' ' 22' ' ' IPH . 9.0 tt -77.75 -45.82 23.55 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 177.56 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . 0.441 HG23 ' HG ' ' C' ' 13' ' ' LEU . 90.0 t -73.37 -43.64 56.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.867 178.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 19' ' ' CYS . . . . . . . . . . . . . 78.1 m -68.36 -26.76 65.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.66 179.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.24 -102.98 0.79 Allowed Glycine 0 N--CA 1.45 -0.374 0 CA-C-N 115.994 -0.548 . . . . 0.0 113.003 179.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 21' ' ' GLU . . . . . 0.664 ' HB2' ' HD2' ' B' ' 29' ' ' LYS . 17.3 pt-20 -89.77 -13.57 36.41 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.917 0.389 . . . . 0.0 110.531 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 22' ' ' ARG . . . . . . . . . . . . . 85.4 mtm180 -78.67 140.93 38.31 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.085 179.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 23' ' ' GLY . . . . . 0.624 ' HA3' HG21 ' B' ' 27' ' ' THR . . . -85.07 -177.23 50.88 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.508 -0.853 . . . . 0.0 111.62 179.634 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 24' ' ' PHE . . . . . 0.992 ' HE2' ' HB3' ' D' ' 16' ' ' TYR . 14.4 p90 -155.45 167.21 31.13 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.069 0.462 . . . . 0.0 111.031 179.543 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 25' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -114.45 120.62 40.92 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 179.25 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 26' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -120.27 120.47 36.16 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.12 0.486 . . . . 0.0 111.591 -178.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 27' ' ' THR . . . . . 0.637 HG21 ' HA3' ' B' ' 23' ' ' GLY . 1.2 p -115.72 111.21 43.68 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.447 178.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 28' ' ' PRO . . . . . 0.564 ' HD3' ' HA2' ' B' ' 23' ' ' GLY . 15.6 Cg_exo -68.76 -10.8 30.15 Favored 'Trans proline' 0 CA--C 1.529 0.252 0 C-N-CA 123.32 2.68 . . . . 0.0 114.015 -178.157 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 29' ' ' LYS . . . . . 0.711 ' HD2' ' HB2' ' B' ' 21' ' ' GLU . 78.6 tttt -103.03 -10.42 18.94 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.902 0.382 . . . . 0.0 111.131 -179.189 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 30' ' ' THR . . . . . 0.568 ' O ' HG21 ' C' ' 3' ' ' VAL . 34.8 m . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.543 -0.742 . . . . 0.0 109.911 179.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.657 0 N-CA-C 111.601 -0.6 . . . . 0.0 111.601 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' E' E ' 2' ' ' ILE . . . . . 0.48 HD13 HD12 ' F' ' 15' ' ' LEU . 13.4 tt -137.61 -38.26 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 111.784 0.29 . . . . 0.0 111.784 -179.577 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 3' ' ' VAL . . . . . 0.55 HG21 ' O ' ' F' ' 30' ' ' THR . 14.5 m -67.24 -50.17 65.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 120.516 -0.474 . . . . 0.0 112.262 -179.306 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 4' ' ' GLU . . . . . 0.404 ' OE1' HG22 ' E' ' 3' ' ' VAL . 3.8 mp0 -76.94 -8.17 56.89 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.8 0.333 . . . . 0.0 111.561 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -92.21 -36.32 13.33 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.746 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 6' ' ' CYS . . . . . . . . . . . . . 81.3 m -104.48 -34.86 8.09 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -178.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 7' ' ' CYS . . . . . 0.451 ' HB2' HD12 ' F' ' 11' ' ' LEU . 8.1 t -85.76 35.44 0.62 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.236 0.541 . . . . 0.0 110.741 -179.691 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 8' ' ' THR . . . . . 0.676 HG21 ' H ' ' E' ' 9' ' ' SER . 6.4 t -118.79 -63.6 1.38 Allowed 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 178.482 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 9' ' ' SER . . . . . 0.676 ' H ' HG21 ' E' ' 8' ' ' THR . 56.2 m -135.82 22.2 3.32 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 121.52 -0.738 . . . . 0.0 110.443 178.078 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 10' ' ' ILE . . . . . 0.76 HD13 HG13 ' J' ' 2' ' ' VAL . 2.6 mp 75.73 135.72 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 C-N-CA 123.591 0.756 . . . . 0.0 110.525 -178.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 11' ' ' CYS . . . . . . . . . . . . . 50.5 m -90.1 172.77 8.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.963 0.411 . . . . 0.0 111.081 179.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 12' ' ' SER . . . . . 0.582 ' HB3' ' HG3' ' E' ' 15' ' ' GLN . 47.1 t -86.54 152.27 22.77 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 177.504 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 13' ' ' LEU . . . . . 0.443 ' HG ' HG23 ' F' ' 18' ' ' VAL . 9.3 tt -59.49 -34.15 72.23 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.091 0.472 . . . . 0.0 110.123 -179.409 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -71.86 -31.59 66.62 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.04 179.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . 0.582 ' HG3' ' HB3' ' E' ' 12' ' ' SER . 86.0 mt-30 -69.86 -33.14 71.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.129 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 16' ' ' LEU . . . . . . . . . . . . . 75.6 mt -67.08 -29.16 68.85 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.849 0.357 . . . . 0.0 110.452 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 17' ' ' GLU . . . . . 0.67 ' HA ' ' SG ' ' E' ' 20' ' ' CYS . 65.9 tt0 -71.81 -12.68 61.41 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.17 0.509 . . . . 0.0 110.721 179.57 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 18' ' ' ASN . . . . . 0.491 ' HB2' ' O ' ' E' ' 15' ' ' GLN . 3.8 m120 -70.52 -16.82 62.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.209 178.614 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 19' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -106.75 7.15 30.23 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.268 -179.054 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 20' ' ' CYS . . . . . 0.67 ' SG ' ' HA ' ' E' ' 17' ' ' GLU . 84.6 m -75.98 83.02 2.86 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.686 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 21' ' ' ASN . . . . . 0.425 HD21 ' HA ' ' E' ' 21' ' ' ASN . 0.4 OUTLIER . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.316 -0.849 . . . . 0.0 111.124 178.616 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' F' F ' 1' ' ' PHE . . . . . . . . . . . . . 18.1 t80 . . . . . 0 N--CA 1.479 1.013 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' F' F ' 2' ' ' VAL . . . . . 0.879 ' HB ' HD13 ' F' ' 6' ' ' LEU . 13.2 m -65.34 102.62 0.42 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-O 121.392 0.615 . . . . 0.0 110.853 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' F' F ' 3' ' ' ASN . . . . . 0.542 ' O ' ' HB3' ' F' ' 7' ' ' CYS . 46.7 t30 -164.94 -68.88 0.04 OUTLIER 'General case' 0 C--O 1.212 -0.869 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.312 -179.299 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' F' F ' 4' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -53.66 -46.8 70.7 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.867 0.365 . . . . 0.0 111.754 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 5' ' ' HIS . . . . . . . . . . . . . 52.6 t60 -80.55 -3.15 49.13 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.5 0.556 . . . . 0.0 112.5 -178.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 6' ' ' LEU . . . . . 0.879 HD13 ' HB ' ' F' ' 2' ' ' VAL . 23.5 mt -115.17 -27.68 7.21 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.314 0.578 . . . . 0.0 110.726 179.598 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' F' F ' 7' ' ' CYS . . . . . 0.542 ' HB3' ' O ' ' F' ' 3' ' ' ASN . 0.0 OUTLIER -92.1 -36.68 13.2 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.12 -178.297 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' F' F ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.86 -33.48 60.17 Favored Glycine 0 C--N 1.334 0.46 0 C-N-CA 121.264 -0.494 . . . . 0.0 113.07 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 9' ' ' SER . . . . . 0.847 ' HB2' ' HG2' ' H' ' 13' ' ' GLU . 86.2 p -67.39 -12.65 60.76 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.951 0.405 . . . . 0.0 111.788 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' F' F ' 10' ' ' HIS . . . . . 0.674 ' HA ' ' HG3' ' F' ' 13' ' ' GLU . 99.0 m-70 -110.33 -16.05 13.81 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.886 -179.572 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' F' F ' 11' ' ' LEU . . . . . 0.605 HD21 ' H3 ' ' E' ' 22' ' ' IPH . 19.8 mt -71.71 -31.76 67.07 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 177.699 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' F' F ' 12' ' ' VAL . . . . . 0.606 ' HA ' ' HB2' ' F' ' 15' ' ' LEU . 1.4 m -68.52 -28.01 38.64 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-N 114.927 -1.033 . . . . 0.0 111.071 179.003 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' F' F ' 13' ' ' GLU . . . . . 0.856 ' HG2' ' HB2' ' H' ' 9' ' ' SER . 18.8 mt-10 -61.53 -38.47 87.53 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 178.783 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' F' F ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.98 -30.14 39.65 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 114.955 -1.02 . . . . 0.0 110.392 178.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 15' ' ' LEU . . . . . 0.606 ' HB2' ' HA ' ' F' ' 12' ' ' VAL . 11.2 mt -59.79 -61.64 2.46 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.011 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' F' F ' 16' ' ' TYR . . . . . 0.983 ' HB3' ' HE2' ' F' ' 24' ' ' PHE . 2.4 p90 -73.51 -4.51 34.29 Favored 'General case' 0 C--N 1.333 -0.131 0 C-N-CA 119.877 -0.729 . . . . 0.0 110.819 -179.298 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' F' F ' 17' ' ' LEU . . . . . 0.838 HD13 ' H5 ' ' K' ' 22' ' ' IPH . 8.9 tt -77.98 -45.75 22.98 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 177.451 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . 0.443 HG23 ' HG ' ' E' ' 13' ' ' LEU . 85.4 t -73.5 -44.9 53.14 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.749 178.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' F' F ' 19' ' ' CYS . . . . . . . . . . . . . 77.6 m -66.5 -27.32 67.68 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.724 179.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.14 -102.58 0.8 Allowed Glycine 0 C--N 1.331 0.29 0 CA-C-N 115.985 -0.552 . . . . 0.0 112.706 179.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 21' ' ' GLU . . . . . 0.67 ' HB2' ' HD2' ' H' ' 29' ' ' LYS . 16.9 pt-20 -90.5 -13.29 34.99 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.095 0.474 . . . . 0.0 110.706 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' F' F ' 22' ' ' ARG . . . . . . . . . . . . . 85.6 mtm180 -78.55 140.21 38.55 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.245 179.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 23' ' ' GLY . . . . . 0.619 ' HA3' HG21 ' H' ' 27' ' ' THR . . . -84.87 -177.89 51.06 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.472 -0.87 . . . . 0.0 111.696 179.577 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' F' F ' 24' ' ' PHE . . . . . 0.983 ' HE2' ' HB3' ' F' ' 16' ' ' TYR . 13.8 p90 -154.98 167.39 30.5 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.17 0.51 . . . . 0.0 111.052 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' F' F ' 25' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -114.96 119.44 36.53 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 179.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 26' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -119.01 121.04 39.0 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.203 0.525 . . . . 0.0 111.592 -178.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 27' ' ' THR . . . . . 0.65 HG21 ' HA3' ' H' ' 23' ' ' GLY . 1.2 p -116.33 111.38 42.23 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 115.177 -0.92 . . . . 0.0 109.258 178.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' F' F ' 28' ' ' PRO . . . . . 0.582 ' HD3' ' HA2' ' H' ' 23' ' ' GLY . 16.4 Cg_exo -69.34 -11.2 30.84 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 123.341 2.694 . . . . 0.0 113.907 -177.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' F' F ' 29' ' ' LYS . . . . . 0.745 ' HD2' ' HB2' ' H' ' 21' ' ' GLU . 77.8 tttt -102.44 -12.56 17.76 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.821 -0.351 . . . . 0.0 110.737 -179.239 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' F' F ' 30' ' ' THR . . . . . 0.55 ' O ' HG21 ' E' ' 3' ' ' VAL . 26.5 m . . . . . 0 C--O 1.248 0.981 0 CA-C-O 118.68 -0.676 . . . . 0.0 110.088 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.438 0 N-CA-C 111.729 -0.548 . . . . 0.0 111.729 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' G' G ' 2' ' ' ILE . . . . . 0.505 HD13 HD12 ' H' ' 15' ' ' LEU . 13.4 tt -138.74 -38.91 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.87 0.335 . . . . 0.0 111.543 -179.553 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' G' G ' 3' ' ' VAL . . . . . 0.585 HG21 ' O ' ' H' ' 30' ' ' THR . 15.3 m -67.34 -49.51 71.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 C-N-CA 120.309 -0.557 . . . . 0.0 112.269 -179.206 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' G' G ' 4' ' ' GLU . . . . . 0.405 ' OE1' HG22 ' G' ' 3' ' ' VAL . 2.9 mp0 -77.05 -8.93 58.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 122.109 -0.369 . . . . 0.0 111.51 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' G' G ' 5' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -91.59 -36.81 13.46 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 120.966 0.412 . . . . 0.0 110.706 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 6' ' ' CYS . . . . . . . . . . . . . 84.0 m -103.69 -35.07 8.38 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 113.232 0.827 . . . . 0.0 113.232 -178.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 7' ' ' CYS . . . . . 0.452 ' HB2' HD12 ' H' ' 11' ' ' LEU . 8.0 t -85.68 36.26 0.65 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.385 0.612 . . . . 0.0 110.877 -179.749 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' G' G ' 8' ' ' THR . . . . . 0.702 HG21 ' H ' ' G' ' 9' ' ' SER . 5.8 t -119.37 -63.87 1.34 Allowed 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 178.458 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' G' G ' 9' ' ' SER . . . . . 0.702 ' H ' HG21 ' G' ' 8' ' ' THR . 54.9 m -136.48 24.17 3.18 Favored 'General case' 0 C--N 1.322 -0.595 0 O-C-N 121.684 -0.635 . . . . 0.0 110.46 177.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' G' G ' 10' ' ' ILE . . . . . 0.761 HD13 HG13 ' D' ' 2' ' ' VAL . 2.8 mp 74.11 137.32 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.682 -179.164 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' G' G ' 11' ' ' CYS . . . . . . . . . . . . . 47.3 m -91.82 173.65 7.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.249 0.547 . . . . 0.0 111.167 179.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 12' ' ' SER . . . . . 0.601 ' HB3' ' HG3' ' G' ' 15' ' ' GLN . 38.1 t -87.06 150.51 23.97 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 177.649 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' G' G ' 13' ' ' LEU . . . . . 0.43 ' HG ' HG23 ' H' ' 18' ' ' VAL . 9.1 tt -58.3 -33.98 70.05 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.053 0.454 . . . . 0.0 110.127 -179.697 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -72.65 -30.0 63.93 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.248 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 15' ' ' GLN . . . . . 0.601 ' HG3' ' HB3' ' G' ' 12' ' ' SER . 86.9 mt-30 -71.54 -32.53 68.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.985 179.805 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' G' G ' 16' ' ' LEU . . . . . . . . . . . . . 77.6 mt -67.47 -28.92 68.27 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.379 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 17' ' ' GLU . . . . . 0.659 ' HA ' ' SG ' ' G' ' 20' ' ' CYS . 63.3 tt0 -71.83 -14.04 61.86 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-O 121.086 0.47 . . . . 0.0 110.599 179.551 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' G' G ' 18' ' ' ASN . . . . . 0.495 ' HB2' ' O ' ' G' ' 15' ' ' GLN . 3.7 m120 -68.46 -18.58 64.44 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.173 178.531 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' G' G ' 19' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -105.13 6.41 33.13 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.327 -178.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 20' ' ' CYS . . . . . 0.659 ' SG ' ' HA ' ' G' ' 17' ' ' GLU . 88.1 m -74.59 82.76 2.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.837 0.351 . . . . 0.0 111.932 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' G' G ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.073 -0.965 . . . . 0.0 110.839 178.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 1' ' ' PHE . . . . . . . . . . . . . 18.3 t80 . . . . . 0 N--CA 1.482 1.126 0 N-CA-C 110.013 -0.365 . . . . 0.0 110.013 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' H' H ' 2' ' ' VAL . . . . . 0.879 ' HB ' HD13 ' H' ' 6' ' ' LEU . 13.7 m -64.39 102.22 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.13 0 CA-C-O 121.315 0.579 . . . . 0.0 110.847 179.58 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' H' H ' 3' ' ' ASN . . . . . 0.55 ' O ' ' HB3' ' H' ' 7' ' ' CYS . 45.6 t30 -165.14 -68.23 0.03 OUTLIER 'General case' 0 C--O 1.212 -0.875 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.265 -179.277 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' H' H ' 4' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -54.3 -46.1 72.69 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.856 0.36 . . . . 0.0 111.75 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 5' ' ' HIS . . . . . . . . . . . . . 51.1 t60 -81.7 -2.41 50.39 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -178.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 6' ' ' LEU . . . . . 0.879 HD13 ' HB ' ' H' ' 2' ' ' VAL . 24.6 mt -115.61 -27.35 7.14 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.186 0.517 . . . . 0.0 110.649 179.539 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' H' H ' 7' ' ' CYS . . . . . 0.55 ' HB3' ' O ' ' H' ' 3' ' ' ASN . 0.0 OUTLIER -92.5 -36.6 12.98 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.993 -178.408 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' H' H ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.53 -33.97 59.59 Favored Glycine 0 C--N 1.333 0.409 0 C-N-CA 121.234 -0.507 . . . . 0.0 113.061 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 9' ' ' SER . . . . . 0.856 ' HB2' ' HG2' ' F' ' 13' ' ' GLU . 88.6 p -67.32 -12.21 59.58 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.898 0.38 . . . . 0.0 111.899 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' H' H ' 10' ' ' HIS . . . . . 0.669 ' HA ' ' HG3' ' H' ' 13' ' ' GLU . 98.9 m-70 -110.76 -15.66 13.77 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.777 -179.529 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' H' H ' 11' ' ' LEU . . . . . 0.605 HD21 ' H3 ' ' G' ' 22' ' ' IPH . 20.3 mt -72.23 -31.6 65.98 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 177.661 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' H' H ' 12' ' ' VAL . . . . . 0.632 ' HA ' ' HB2' ' H' ' 15' ' ' LEU . 1.4 m -68.97 -27.74 36.73 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.19 178.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' H' H ' 13' ' ' GLU . . . . . 0.847 ' HG2' ' HB2' ' F' ' 9' ' ' SER . 17.9 mt-10 -61.53 -38.84 88.88 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 178.562 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' H' H ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.58 -30.76 41.69 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 114.885 -1.052 . . . . 0.0 110.463 178.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 15' ' ' LEU . . . . . 0.632 ' HB2' ' HA ' ' H' ' 12' ' ' VAL . 11.0 mt -59.44 -61.76 2.39 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.899 -0.591 . . . . 0.0 112.052 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' H' H ' 16' ' ' TYR . . . . . 0.948 ' HB3' ' HE2' ' H' ' 24' ' ' PHE . 2.3 p90 -73.23 -4.97 36.34 Favored 'General case' 0 C--O 1.227 -0.117 0 C-N-CA 119.817 -0.753 . . . . 0.0 110.886 -179.293 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' H' H ' 17' ' ' LEU . . . . . 0.848 HD13 ' H5 ' ' A' ' 22' ' ' IPH . 9.1 tt -77.48 -46.29 22.95 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 177.584 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . 0.43 HG23 ' HG ' ' G' ' 13' ' ' LEU . 86.7 t -73.31 -42.67 57.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.961 178.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' H' H ' 19' ' ' CYS . . . . . . . . . . . . . 76.0 m -69.32 -26.39 64.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.481 179.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.38 -102.4 0.73 Allowed Glycine 0 C--N 1.33 0.214 0 CA-C-N 116.067 -0.515 . . . . 0.0 112.825 179.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 21' ' ' GLU . . . . . 0.745 ' HB2' ' HD2' ' F' ' 29' ' ' LYS . 14.9 pt-20 -90.71 -13.59 33.82 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.035 0.445 . . . . 0.0 110.341 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' H' H ' 22' ' ' ARG . . . . . . . . . . . . . 85.2 mtm180 -78.12 138.98 39.01 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.285 179.152 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 23' ' ' GLY . . . . . 0.65 ' HA3' HG21 ' F' ' 27' ' ' THR . . . -83.6 -178.42 51.95 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.726 -0.75 . . . . 0.0 111.623 179.57 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' H' H ' 24' ' ' PHE . . . . . 0.948 ' HE2' ' HB3' ' H' ' 16' ' ' TYR . 15.7 p90 -154.76 167.65 29.51 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.982 0.42 . . . . 0.0 111.135 179.537 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' H' H ' 25' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -114.81 119.77 37.75 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 179.386 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 26' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -119.33 120.86 38.17 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.117 0.484 . . . . 0.0 111.812 -178.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 27' ' ' THR . . . . . 0.619 HG21 ' HA3' ' F' ' 23' ' ' GLY . 1.2 p -116.13 110.6 43.35 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.368 179.184 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' H' H ' 28' ' ' PRO . . . . . 0.542 ' HD3' ' HA2' ' F' ' 23' ' ' GLY . 16.1 Cg_exo -68.56 -11.38 31.77 Favored 'Trans proline' 0 CA--C 1.528 0.211 0 C-N-CA 123.295 2.663 . . . . 0.0 113.836 -178.173 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' H' H ' 29' ' ' LYS . . . . . 0.67 ' HD2' ' HB2' ' F' ' 21' ' ' GLU . 77.5 tttt -102.02 -11.96 18.52 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.89 0.376 . . . . 0.0 110.937 -179.306 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' H' H ' 30' ' ' THR . . . . . 0.585 ' O ' HG21 ' G' ' 3' ' ' VAL . 50.6 m . . . . . 0 C--O 1.251 1.17 0 CA-C-O 118.438 -0.791 . . . . 0.0 110.526 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.795 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' I' I ' 2' ' ' ILE . . . . . 0.498 HD13 HD12 ' J' ' 15' ' ' LEU . 13.3 tt -138.87 -38.27 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 O-C-N 122.66 -0.318 . . . . 0.0 111.728 -179.637 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' I' I ' 3' ' ' VAL . . . . . 0.578 HG21 ' O ' ' J' ' 30' ' ' THR . 15.5 m -67.89 -49.77 65.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 120.407 -0.517 . . . . 0.0 112.064 -179.106 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' I' I ' 4' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -76.68 -8.74 57.85 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.483 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 5' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -91.72 -37.47 12.99 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.757 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 6' ' ' CYS . . . . . . . . . . . . . 87.6 m -103.19 -34.87 8.67 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 -178.039 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 7' ' ' CYS . . . . . 0.459 ' HB2' HD12 ' J' ' 11' ' ' LEU . 7.9 t -85.73 35.58 0.63 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.231 0.539 . . . . 0.0 110.78 -179.568 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' I' I ' 8' ' ' THR . . . . . 0.658 HG21 ' H ' ' I' ' 9' ' ' SER . 5.0 t -118.72 -63.8 1.36 Allowed 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 178.34 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' I' I ' 9' ' ' SER . . . . . 0.658 ' H ' HG21 ' I' ' 8' ' ' THR . 40.5 m -134.81 20.08 3.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 121.662 -0.649 . . . . 0.0 110.586 178.279 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' I' I ' 10' ' ' ILE . . . . . 0.765 HD13 HG13 ' B' ' 2' ' ' VAL . 2.6 mp 77.42 137.5 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 123.532 0.733 . . . . 0.0 110.2 -178.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' I' I ' 11' ' ' CYS . . . . . . . . . . . . . 55.0 m -92.47 172.17 8.56 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.322 0.582 . . . . 0.0 111.128 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 12' ' ' SER . . . . . 0.542 ' HB3' ' HG3' ' I' ' 15' ' ' GLN . 41.1 t -85.58 151.37 23.96 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 177.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' I' I ' 13' ' ' LEU . . . . . 0.41 ' HG ' HG23 ' J' ' 18' ' ' VAL . 9.2 tt -58.85 -33.31 70.29 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.139 0.495 . . . . 0.0 110.361 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -72.96 -31.61 64.67 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.002 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 15' ' ' GLN . . . . . 0.542 ' HG3' ' HB3' ' I' ' 12' ' ' SER . 88.3 mt-30 -69.73 -33.33 72.32 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.197 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' I' I ' 16' ' ' LEU . . . . . . . . . . . . . 77.7 mt -66.48 -29.43 69.54 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.863 0.363 . . . . 0.0 110.58 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 17' ' ' GLU . . . . . 0.675 ' HA ' ' SG ' ' I' ' 20' ' ' CYS . 62.9 tt0 -71.59 -14.08 61.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.623 179.594 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' I' I ' 18' ' ' ASN . . . . . 0.499 ' HB2' ' O ' ' I' ' 15' ' ' GLN . 3.6 m120 -69.29 -16.03 63.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.135 0.493 . . . . 0.0 110.276 178.555 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' I' I ' 19' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -107.92 7.81 28.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.069 -179.11 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 20' ' ' CYS . . . . . 0.675 ' SG ' ' HA ' ' I' ' 17' ' ' GLU . 85.9 m -76.38 82.36 3.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.115 0.483 . . . . 0.0 111.687 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' I' I ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.25 1.124 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.606 178.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' J' J ' 1' ' ' PHE . . . . . . . . . . . . . 21.6 t80 . . . . . 0 N--CA 1.48 1.068 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' J' J ' 2' ' ' VAL . . . . . 0.872 ' HB ' HD13 ' J' ' 6' ' ' LEU . 13.0 m -66.75 102.61 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 CA-C-O 121.435 0.636 . . . . 0.0 110.328 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' J' J ' 3' ' ' ASN . . . . . 0.523 ' O ' ' HB3' ' J' ' 7' ' ' CYS . 46.0 t30 -165.28 -69.39 0.03 OUTLIER 'General case' 0 C--O 1.214 -0.798 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.019 -179.047 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' J' J ' 4' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -53.33 -46.19 69.36 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.945 0.403 . . . . 0.0 111.906 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' J' J ' 5' ' ' HIS . . . . . . . . . . . . . 51.6 t60 -81.17 -3.31 51.77 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -178.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' J' J ' 6' ' ' LEU . . . . . 0.872 HD13 ' HB ' ' J' ' 2' ' ' VAL . 23.6 mt -115.11 -27.37 7.34 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.218 0.532 . . . . 0.0 110.839 179.736 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' J' J ' 7' ' ' CYS . . . . . 0.523 ' HB3' ' O ' ' J' ' 3' ' ' ASN . 0.0 OUTLIER -92.35 -36.6 13.08 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.075 -178.492 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' J' J ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.36 -34.31 59.3 Favored Glycine 0 C--N 1.334 0.443 0 C-N-CA 121.296 -0.478 . . . . 0.0 113.138 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' J' J ' 9' ' ' SER . . . . . 0.873 ' HB2' ' HG2' ' L' ' 13' ' ' GLU . 86.7 p -67.21 -12.32 59.76 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.955 0.407 . . . . 0.0 111.98 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' J' J ' 10' ' ' HIS . . . . . 0.677 ' HA ' ' HG3' ' J' ' 13' ' ' GLU . 99.0 m-70 -110.36 -15.94 13.83 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.816 0.341 . . . . 0.0 110.853 -179.59 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' J' J ' 11' ' ' LEU . . . . . 0.603 HD21 ' H3 ' ' I' ' 22' ' ' IPH . 20.0 mt -72.12 -31.99 66.55 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 107.934 -1.135 . . . . 0.0 107.934 177.525 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' J' J ' 12' ' ' VAL . . . . . 0.634 ' HA ' ' HB2' ' J' ' 15' ' ' LEU . 1.4 m -68.15 -28.14 39.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 114.889 -1.05 . . . . 0.0 111.136 178.775 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' J' J ' 13' ' ' GLU . . . . . 0.868 ' HG2' ' HB2' ' L' ' 9' ' ' SER . 18.2 mt-10 -61.58 -38.15 86.51 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 178.666 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' J' J ' 14' ' ' ALA . . . . . . . . . . . . . . . -80.18 -30.97 38.86 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.333 178.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' J' J ' 15' ' ' LEU . . . . . 0.634 ' HB2' ' HA ' ' J' ' 12' ' ' VAL . 11.0 mt -59.21 -61.69 2.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.824 -0.625 . . . . 0.0 112.06 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' J' J ' 16' ' ' TYR . . . . . 0.979 ' HB3' ' HE2' ' J' ' 24' ' ' PHE . 2.3 p90 -73.7 -4.07 32.19 Favored 'General case' 0 C--O 1.227 -0.111 0 C-N-CA 119.803 -0.759 . . . . 0.0 110.804 -179.196 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' J' J ' 17' ' ' LEU . . . . . 0.817 HD13 ' H5 ' ' C' ' 22' ' ' IPH . 8.9 tt -78.31 -45.97 21.32 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 177.538 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' J' J ' 18' ' ' VAL . . . . . 0.41 HG23 ' HG ' ' I' ' 13' ' ' LEU . 87.5 t -73.06 -44.03 57.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.285 -0.871 . . . . 0.0 109.889 178.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' J' J ' 19' ' ' CYS . . . . . . . . . . . . . 77.9 m -67.63 -27.3 66.76 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.6 179.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' J' J ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.11 -101.99 0.73 Allowed Glycine 0 C--N 1.33 0.218 0 CA-C-N 116.078 -0.51 . . . . 0.0 112.991 179.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' J' J ' 21' ' ' GLU . . . . . 0.683 ' HB2' ' HD2' ' L' ' 29' ' ' LYS . 17.6 pt-20 -91.14 -13.66 32.58 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.863 0.364 . . . . 0.0 110.306 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' J' J ' 22' ' ' ARG . . . . . . . . . . . . . 86.7 mtm180 -78.59 140.03 38.52 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.188 179.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' J' J ' 23' ' ' GLY . . . . . 0.634 ' HA3' HG21 ' L' ' 27' ' ' THR . . . -84.23 -177.53 51.37 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.571 -0.823 . . . . 0.0 111.75 179.563 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' J' J ' 24' ' ' PHE . . . . . 0.979 ' HE2' ' HB3' ' J' ' 16' ' ' TYR . 15.3 p90 -155.23 167.77 29.25 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.045 0.45 . . . . 0.0 110.926 179.554 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' J' J ' 25' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -114.86 121.05 42.04 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 179.266 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' J' J ' 26' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -120.68 120.36 35.47 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.085 0.469 . . . . 0.0 111.591 -178.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' J' J ' 27' ' ' THR . . . . . 0.633 HG21 ' HA3' ' L' ' 23' ' ' GLY . 1.2 p -115.68 110.68 44.26 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.432 179.01 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' J' J ' 28' ' ' PRO . . . . . 0.548 ' HD3' ' HA2' ' L' ' 23' ' ' GLY . 16.5 Cg_exo -68.4 -11.35 31.7 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 123.205 2.604 . . . . 0.0 113.869 -178.07 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' J' J ' 29' ' ' LYS . . . . . 0.675 ' HD2' ' HB2' ' L' ' 21' ' ' GLU . 78.0 tttt -101.9 -13.12 17.77 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.777 0.322 . . . . 0.0 110.844 -179.181 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' J' J ' 30' ' ' THR . . . . . 0.578 ' O ' HG21 ' I' ' 3' ' ' VAL . 28.0 m . . . . . 0 C--O 1.25 1.12 0 CA-C-O 118.529 -0.748 . . . . 0.0 110.386 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.647 0 N-CA-C 112.088 -0.405 . . . . 0.0 112.088 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' K' K ' 2' ' ' ILE . . . . . 0.5 HD13 HD12 ' L' ' 15' ' ' LEU . 13.7 tt -140.92 -37.69 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' K' K ' 3' ' ' VAL . . . . . 0.563 HG21 ' O ' ' L' ' 30' ' ' THR . 15.1 m -68.35 -49.0 70.46 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -179.168 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' K' K ' 4' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -77.44 -9.77 59.07 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.867 -0.333 . . . . 0.0 111.446 179.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' K' K ' 5' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -90.79 -36.61 14.15 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.789 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' K' K ' 6' ' ' CYS . . . . . . . . . . . . . 90.3 m -104.41 -33.95 8.43 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 113.256 0.835 . . . . 0.0 113.256 -177.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' K' K ' 7' ' ' CYS . . . . . 0.474 ' HB2' HD12 ' L' ' 11' ' ' LEU . 8.5 t -86.57 35.91 0.68 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.184 0.516 . . . . 0.0 110.719 -179.668 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' K' K ' 8' ' ' THR . . . . . 0.615 HG21 ' H ' ' K' ' 9' ' ' SER . 5.6 t -119.54 -61.52 1.61 Allowed 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 178.505 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' K' K ' 9' ' ' SER . . . . . 0.615 ' H ' HG21 ' K' ' 8' ' ' THR . 49.9 m -137.47 22.06 2.94 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 121.766 -0.584 . . . . 0.0 110.611 178.142 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' K' K ' 10' ' ' ILE . . . . . 0.761 HD13 HG13 ' H' ' 2' ' ' VAL . 2.7 mp 75.72 137.46 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 C-N-CA 123.611 0.764 . . . . 0.0 110.309 -178.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' K' K ' 11' ' ' CYS . . . . . . . . . . . . . 51.4 m -92.68 172.73 8.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.312 0.577 . . . . 0.0 111.124 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' K' K ' 12' ' ' SER . . . . . 0.58 ' HB3' ' HG3' ' K' ' 15' ' ' GLN . 40.4 t -85.82 150.44 24.55 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 177.632 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' K' K ' 13' ' ' LEU . . . . . 0.421 ' HG ' HG23 ' L' ' 18' ' ' VAL . 9.3 tt -58.59 -33.09 69.59 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.102 0.477 . . . . 0.0 110.259 -179.791 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -73.14 -31.07 64.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.944 179.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' K' K ' 15' ' ' GLN . . . . . 0.58 ' HG3' ' HB3' ' K' ' 12' ' ' SER . 87.9 mt-30 -70.1 -33.82 72.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.875 0.369 . . . . 0.0 111.054 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' K' K ' 16' ' ' LEU . . . . . . . . . . . . . 77.8 mt -66.32 -29.15 69.29 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.886 0.374 . . . . 0.0 110.624 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' K' K ' 17' ' ' GLU . . . . . 0.676 ' HA ' ' SG ' ' K' ' 20' ' ' CYS . 64.5 tt0 -71.67 -13.47 61.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.547 179.555 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' K' K ' 18' ' ' ASN . . . . . 0.491 ' HB2' ' O ' ' K' ' 15' ' ' GLN . 3.6 m120 -69.73 -16.58 63.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.327 178.698 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' K' K ' 19' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -106.75 5.39 28.63 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.226 -178.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' K' K ' 20' ' ' CYS . . . . . 0.676 ' SG ' ' HA ' ' K' ' 17' ' ' GLU . 84.9 m -74.08 84.22 1.8 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.795 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' K' K ' 21' ' ' ASN . . . . . 0.424 HD21 ' HA ' ' K' ' 21' ' ' ASN . 0.4 OUTLIER . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.195 -0.907 . . . . 0.0 111.458 178.621 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' L' L ' 1' ' ' PHE . . . . . . . . . . . . . 19.3 t80 . . . . . 0 N--CA 1.48 1.073 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' L' L ' 2' ' ' VAL . . . . . 0.903 ' HB ' HD13 ' L' ' 6' ' ' LEU . 13.3 m -65.56 102.27 0.42 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 CA-C-O 121.334 0.588 . . . . 0.0 110.724 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' L' L ' 3' ' ' ASN . . . . . 0.537 ' O ' ' HB3' ' L' ' 7' ' ' CYS . 45.3 t30 -165.34 -69.01 0.03 OUTLIER 'General case' 0 C--O 1.215 -0.745 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.025 -179.289 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' L' L ' 4' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -53.21 -46.16 68.94 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.879 0.371 . . . . 0.0 111.935 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' L' L ' 5' ' ' HIS . . . . . . . . . . . . . 54.0 t60 -81.79 -2.99 52.78 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -178.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' L' L ' 6' ' ' LEU . . . . . 0.903 HD13 ' HB ' ' L' ' 2' ' ' VAL . 23.3 mt -115.25 -27.29 7.31 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.199 0.523 . . . . 0.0 110.751 179.641 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' L' L ' 7' ' ' CYS . . . . . 0.537 ' HB3' ' O ' ' L' ' 3' ' ' ASN . 0.0 OUTLIER -92.42 -36.39 13.15 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.136 -178.417 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' L' L ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.34 -34.4 59.33 Favored Glycine 0 C--N 1.336 0.544 0 CA-C-N 116.231 -0.44 . . . . 0.0 113.195 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' L' L ' 9' ' ' SER . . . . . 0.868 ' HB2' ' HG2' ' J' ' 13' ' ' GLU . 85.3 p -67.32 -12.35 59.93 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.861 0.363 . . . . 0.0 111.803 -179.693 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' L' L ' 10' ' ' HIS . . . . . 0.681 ' HA ' ' HG3' ' L' ' 13' ' ' GLU . 99.0 m-70 -110.39 -15.89 13.83 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.709 0.29 . . . . 0.0 110.902 -179.524 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' L' L ' 11' ' ' LEU . . . . . 0.596 HD21 ' H3 ' ' K' ' 22' ' ' IPH . 20.0 mt -71.98 -32.21 67.02 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 107.818 -1.178 . . . . 0.0 107.818 177.687 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' L' L ' 12' ' ' VAL . . . . . 0.622 ' HA ' ' HB2' ' L' ' 15' ' ' LEU . 1.6 m -68.21 -28.25 40.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 CA-C-N 114.962 -1.017 . . . . 0.0 111.176 178.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' L' L ' 13' ' ' GLU . . . . . 0.873 ' HG2' ' HB2' ' J' ' 9' ' ' SER . 18.1 mt-10 -61.31 -38.38 86.64 Favored 'General case' 0 CA--C 1.52 -0.181 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 178.799 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' L' L ' 14' ' ' ALA . . . . . . . . . . . . . . . -80.19 -30.47 38.73 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 114.92 -1.037 . . . . 0.0 110.417 178.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' L' L ' 15' ' ' LEU . . . . . 0.622 ' HB2' ' HA ' ' L' ' 12' ' ' VAL . 10.8 mt -59.61 -61.79 2.36 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.887 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' L' L ' 16' ' ' TYR . . . . . 0.947 ' HB3' ' HE2' ' L' ' 24' ' ' PHE . 2.3 p90 -73.39 -4.52 33.98 Favored 'General case' 0 C--N 1.334 -0.084 0 C-N-CA 119.892 -0.723 . . . . 0.0 110.921 -179.371 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' L' L ' 17' ' ' LEU . . . . . 0.835 HD13 ' H5 ' ' E' ' 22' ' ' IPH . 9.1 tt -78.02 -45.9 22.43 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 177.585 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' L' L ' 18' ' ' VAL . . . . . 0.421 HG23 ' HG ' ' K' ' 13' ' ' LEU . 88.4 t -73.43 -44.38 54.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.155 -0.93 . . . . 0.0 109.838 178.775 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' L' L ' 19' ' ' CYS . . . . . . . . . . . . . 74.8 m -66.68 -28.05 68.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.694 179.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' L' L ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.87 -101.95 0.78 Allowed Glycine 0 N--CA 1.452 -0.299 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.776 179.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' L' L ' 21' ' ' GLU . . . . . 0.675 ' HB2' ' HD2' ' J' ' 29' ' ' LYS . 17.4 pt-20 -91.34 -13.43 32.55 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.003 0.43 . . . . 0.0 110.482 179.781 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' L' L ' 22' ' ' ARG . . . . . . . . . . . . . 85.8 mtm180 -78.67 139.5 38.5 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.161 179.053 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' L' L ' 23' ' ' GLY . . . . . 0.633 ' HA3' HG21 ' J' ' 27' ' ' THR . . . -83.78 -178.18 51.77 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.844 -0.693 . . . . 0.0 111.735 179.573 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' L' L ' 24' ' ' PHE . . . . . 0.947 ' HE2' ' HB3' ' L' ' 16' ' ' TYR . 15.4 p90 -154.91 167.45 30.27 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.073 0.463 . . . . 0.0 110.828 179.501 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' L' L ' 25' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -114.25 121.2 42.98 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 179.296 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' L' L ' 26' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -120.87 120.12 34.61 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.169 0.509 . . . . 0.0 111.64 -178.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' L' L ' 27' ' ' THR . . . . . 0.634 HG21 ' HA3' ' J' ' 23' ' ' GLY . 1.3 p -115.32 111.49 44.4 Favored Pre-proline 0 C--N 1.321 -0.668 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.342 179.027 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' L' L ' 28' ' ' PRO . . . . . 0.565 ' HD3' ' HA2' ' J' ' 23' ' ' GLY . 15.6 Cg_exo -69.62 -10.68 29.29 Favored 'Trans proline' 0 N--CA 1.473 0.265 0 C-N-CA 123.182 2.588 . . . . 0.0 113.797 -178.096 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' L' L ' 29' ' ' LYS . . . . . 0.683 ' HD2' ' HB2' ' J' ' 21' ' ' GLU . 78.8 tttt -102.9 -10.51 18.98 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.852 0.358 . . . . 0.0 110.985 -179.367 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' L' L ' 30' ' ' THR . . . . . 0.563 ' O ' HG21 ' K' ' 3' ' ' VAL . 36.1 m . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.481 -0.771 . . . . 0.0 110.246 179.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' IPH . . . . . 0.848 ' H5 ' HD13 ' H' ' 17' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 22' ' ' IPH . . . . . 0.817 ' H5 ' HD13 ' J' ' 17' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 22' ' ' IPH . . . . . 0.835 ' H5 ' HD13 ' L' ' 17' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 22' ' ' IPH . . . . . 0.848 ' H5 ' HD13 ' B' ' 17' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 22' ' ' IPH . . . . . 0.832 ' H5 ' HD13 ' D' ' 17' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' K' K ' 22' ' ' IPH . . . . . 0.838 ' H5 ' HD13 ' F' ' 17' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.823 0 N-CA-C 112.026 -0.43 . . . . 0.0 112.026 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.688 HD12 ' HE1' ' B' ' 26' ' ' TYR . 10.7 tt -167.63 -25.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 120.836 0.35 . . . . 0.0 110.668 179.509 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.804 HG23 ' HG3' ' B' ' 4' ' ' GLN . 40.0 t -59.59 -75.07 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.518 -0.252 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.139 -179.664 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -59.2 -32.94 70.39 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.3 0.571 . . . . 0.0 110.974 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.429 ' HG2' ' SG ' ' A' ' 11' ' ' CYS . 33.3 tt0 -62.79 -47.75 82.11 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.195 -0.911 . . . . 0.0 112.775 -179.159 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 80.6 m -101.04 -27.31 13.34 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 -177.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 11.9 t -77.95 -2.2 35.73 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 122.093 -0.38 . . . . 0.0 111.121 -178.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.3 t -82.76 -44.52 15.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.023 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.412 ' HA ' ' O ' ' F' ' 2' ' ' VAL . 11.5 p -163.95 27.31 0.08 Allowed 'General case' 0 C--O 1.234 0.282 0 N-CA-C 111.585 0.217 . . . . 0.0 111.585 -179.646 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.677 HD12 ' HB3' ' F' ' 3' ' ' ASN . 1.7 mp 69.71 135.34 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 179.229 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.554 ' HB3' ' HG2' ' A' ' 15' ' ' GLN . 98.3 m -93.46 157.47 16.2 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.883 -1.053 . . . . 0.0 109.572 178.391 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.9 m -72.64 167.92 19.76 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.731 0.301 . . . . 0.0 111.026 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.415 ' C ' HD21 ' A' ' 13' ' ' LEU . 8.8 tt -56.31 -52.93 62.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 112.014 -178.507 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -64.05 -25.4 68.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.766 0.317 . . . . 0.0 111.452 -179.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.554 ' HG2' ' HB3' ' A' ' 11' ' ' CYS . 4.5 tp-100 -65.99 -37.82 86.93 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.209 0.528 . . . . 0.0 110.016 179.118 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.537 HD21 HD22 ' B' ' 15' ' ' LEU . 70.7 mt -72.92 -29.81 63.41 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.428 -0.806 . . . . 0.0 111.519 -179.483 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.404 ' O ' ' HB2' ' A' ' 20' ' ' CYS . 76.7 tt0 -60.46 -23.65 64.62 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-O 120.967 0.413 . . . . 0.0 111.265 -179.557 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 74.4 m-80 -64.71 -16.38 62.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.333 179.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -106.57 13.45 28.27 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.055 0.455 . . . . 0.0 111.171 -178.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 17' ' ' GLU . 1.1 m -85.12 160.53 19.93 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.392 179.689 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.246 0.872 0 CA-C-O 118.321 -0.847 . . . . 0.0 109.476 179.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . 0.469 ' O ' HG21 ' B' ' 2' ' ' VAL . 56.7 t80 . . . . . 0 N--CA 1.481 1.093 0 CA-C-O 120.559 0.219 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . 0.469 HG21 ' O ' ' B' ' 1' ' ' PHE . 33.5 m 46.0 -139.73 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 C-N-CA 123.949 0.9 . . . . 0.0 112.365 -179.132 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . 0.706 ' HB3' HD12 ' I' ' 10' ' ' ILE . 14.8 t-20 -160.22 169.47 23.17 Favored 'General case' 0 C--O 1.237 0.437 0 O-C-N 122.234 -0.291 . . . . 0.0 111.018 -177.547 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . 0.804 ' HG3' HG23 ' A' ' 3' ' ' VAL . 4.7 tt0 -46.26 -36.74 6.45 Favored 'General case' 0 N--CA 1.463 0.198 0 C-N-CA 124.374 1.07 . . . . 0.0 110.827 177.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . 0.553 ' CE1' ' HA ' ' D' ' 17' ' ' LEU . 80.6 t60 -57.79 -17.54 16.47 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 114.754 -1.112 . . . . 0.0 112.914 -179.42 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.627 HD22 ' H4 ' ' I' ' 22' ' ' IPH . 12.9 mt -117.38 -47.92 2.63 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . 0.403 ' O ' ' HG ' ' B' ' 11' ' ' LEU . 47.5 t -62.04 -43.38 98.97 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.785 0.326 . . . . 0.0 110.846 -179.013 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.64 -29.67 74.42 Favored Glycine 0 C--N 1.332 0.329 0 C-N-CA 121.018 -0.611 . . . . 0.0 112.544 179.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' SER . . . . . 0.455 ' HB3' ' HG2' ' D' ' 13' ' ' GLU . 5.1 m -66.65 -4.22 8.28 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 122.519 0.328 . . . . 0.0 111.705 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -123.03 -14.68 7.53 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.94 -0.304 . . . . 0.0 111.567 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.856 HD21 ' H3 ' ' A' ' 22' ' ' IPH . 30.7 mt -72.97 -17.9 61.42 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 177.756 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.653 HG22 HG22 ' D' ' 12' ' ' VAL . 6.3 m -66.46 -39.03 83.01 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 CA-C-N 114.537 -1.211 . . . . 0.0 110.232 178.127 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.469 ' HG2' ' HB3' ' D' ' 9' ' ' SER . 25.8 mt-10 -61.0 -34.69 75.2 Favored 'General case' 0 CA--C 1.52 -0.209 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 179.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.37 -50.28 68.32 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.206 -0.907 . . . . 0.0 109.957 178.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.537 HD22 HD21 ' A' ' 16' ' ' LEU . 42.8 mt -61.65 -43.55 98.65 Favored 'General case' 0 C--O 1.226 -0.183 0 CA-C-O 121.521 0.676 . . . . 0.0 109.54 178.635 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . 0.56 ' CD2' ' HE2' ' B' ' 24' ' ' PHE . 0.6 OUTLIER -57.15 -48.02 79.74 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.499 -1.228 . . . . 0.0 111.667 -179.125 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.555 ' HA ' ' CE1' ' D' ' 5' ' ' HIS . 1.9 mm? -59.23 -42.6 91.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.944 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 46.9 t -75.61 -32.3 24.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.703 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . 0.421 ' HB2' ' O ' ' B' ' 15' ' ' LEU . 0.1 OUTLIER -85.5 4.2 36.86 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -178.642 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.96 -114.34 6.27 Favored Glycine 0 CA--C 1.517 0.191 0 C-N-CA 121.115 -0.564 . . . . 0.0 112.754 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -124.81 22.31 8.16 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.981 0.42 . . . . 0.0 110.506 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 36.8 ttm105 -80.22 -43.37 21.57 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.187 0.518 . . . . 0.0 110.691 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 110.27 170.32 19.8 Favored Glycine 0 N--CA 1.446 -0.676 0 N-CA-C 110.59 -1.004 . . . . 0.0 110.59 -178.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . 0.631 ' HZ ' ' HB ' ' B' ' 12' ' ' VAL . 51.0 p90 -153.46 -177.38 6.31 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.294 0.568 . . . . 0.0 110.866 -179.491 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 7.2 p90 -124.2 139.44 53.92 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 178.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.688 ' HE1' HD12 ' A' ' 2' ' ' ILE . 16.7 t80 -132.5 87.55 2.43 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 119.632 -0.827 . . . . 0.0 111.818 -178.608 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 9.5 m -116.66 83.67 14.23 Favored Pre-proline 0 C--N 1.315 -0.909 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 177.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -78.76 -4.31 13.94 Favored 'Trans proline' 0 N--CA 1.459 -0.54 0 C-N-CA 122.89 2.393 . . . . 0.0 112.946 -177.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 55.5 tttm -61.7 105.32 0.53 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.038 179.27 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 10.7 m . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.837 -0.601 . . . . 0.0 109.809 -179.287 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.734 0 N-CA-C 111.609 -0.596 . . . . 0.0 111.609 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 2' ' ' ILE . . . . . 0.661 HD12 ' HE1' ' D' ' 26' ' ' TYR . 10.8 tt -169.95 -26.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 120.715 0.293 . . . . 0.0 110.609 179.764 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 3' ' ' VAL . . . . . 0.778 HG23 ' HG3' ' D' ' 4' ' ' GLN . 41.5 t -59.74 -75.31 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.226 -0.171 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.135 -179.593 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -59.39 -33.01 70.69 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.2 0.524 . . . . 0.0 110.799 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 5' ' ' GLN . . . . . 0.417 ' HG2' ' SG ' ' C' ' 11' ' ' CYS . 33.9 tt0 -62.15 -47.58 83.88 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.511 -0.768 . . . . 0.0 112.921 -179.288 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 85.9 m -101.36 -27.51 13.12 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 113.665 0.987 . . . . 0.0 113.665 -177.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 7' ' ' CYS . . . . . . . . . . . . . 11.1 t -77.58 -1.39 30.51 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.866 -0.334 . . . . 0.0 111.209 -179.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 13.7 t -84.03 -42.77 15.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.796 -0.184 . . . . 0.0 111.319 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 9' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' L' ' 2' ' ' VAL . 13.1 p -165.01 26.95 0.06 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.629 0.252 . . . . 0.0 111.677 -179.754 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . 0.659 HD12 ' HB3' ' L' ' 3' ' ' ASN . 1.7 mp 69.28 134.4 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 178.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 11' ' ' CYS . . . . . 0.561 ' HB3' ' HG2' ' C' ' 15' ' ' GLN . 97.4 m -92.05 159.0 15.92 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.831 -1.077 . . . . 0.0 109.74 178.427 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 49.3 m -74.28 167.49 21.52 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.654 0.264 . . . . 0.0 111.04 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 13' ' ' LEU . . . . . 0.407 ' C ' HD21 ' C' ' 13' ' ' LEU . 8.7 tt -55.98 -51.95 65.89 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.213 -0.449 . . . . 0.0 112.069 -178.478 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -65.2 -24.36 67.34 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.793 0.294 . . . . 0.0 111.793 -179.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . 0.561 ' HG2' ' HB3' ' C' ' 11' ' ' CYS . 4.4 tp-100 -67.16 -38.55 85.65 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.17 0.509 . . . . 0.0 109.806 179.167 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 16' ' ' LEU . . . . . 0.57 ' HB3' HD22 ' D' ' 15' ' ' LEU . 69.2 mt -71.99 -29.71 64.51 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.545 -179.677 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -61.13 -21.62 63.91 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.433 -179.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 75.0 m-80 -68.01 -12.72 61.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.85 0.357 . . . . 0.0 111.301 179.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -109.24 13.26 24.44 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.166 0.508 . . . . 0.0 110.868 -179.197 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 1.1 m -85.67 159.11 19.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.198 179.547 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.268 -0.873 . . . . 0.0 109.328 179.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 1' ' ' PHE . . . . . 0.491 ' O ' HG21 ' D' ' 2' ' ' VAL . 57.4 t80 . . . . . 0 N--CA 1.482 1.132 0 CA-C-O 120.508 0.194 . . . . 0.0 110.568 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 2' ' ' VAL . . . . . 0.491 HG21 ' O ' ' D' ' 1' ' ' PHE . 34.0 m 46.67 -139.4 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 C-N-CA 124.051 0.94 . . . . 0.0 112.623 -179.11 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 3' ' ' ASN . . . . . 0.656 ' HB3' HD12 ' G' ' 10' ' ' ILE . 14.8 t-20 -160.95 168.94 23.59 Favored 'General case' 0 C--N 1.328 -0.356 0 O-C-N 122.232 -0.293 . . . . 0.0 110.881 -177.364 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 4' ' ' GLN . . . . . 0.778 ' HG3' HG23 ' C' ' 3' ' ' VAL . 4.6 tt0 -45.71 -37.2 5.59 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 124.243 1.017 . . . . 0.0 110.968 178.031 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 5' ' ' HIS . . . . . 0.555 ' CE1' ' HA ' ' B' ' 17' ' ' LEU . 79.4 t60 -57.21 -18.47 16.01 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 114.791 -1.095 . . . . 0.0 112.905 -179.358 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 6' ' ' LEU . . . . . 0.629 HD22 ' H4 ' ' G' ' 22' ' ' IPH . 13.0 mt -116.32 -47.92 2.73 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 7' ' ' CYS . . . . . . . . . . . . . 49.6 t -62.1 -43.58 98.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.0 -179.05 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.49 -29.54 73.76 Favored Glycine 0 C--N 1.331 0.261 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.537 179.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 9' ' ' SER . . . . . 0.469 ' HB3' ' HG2' ' B' ' 13' ' ' GLU . 4.9 m -66.54 -4.21 8.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.769 0.319 . . . . 0.0 111.639 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 10' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -122.93 -15.11 7.47 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 11' ' ' LEU . . . . . 0.882 HD21 ' H3 ' ' C' ' 22' ' ' IPH . 27.9 mt -72.92 -17.98 61.44 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 107.813 -1.18 . . . . 0.0 107.813 177.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . 0.653 HG22 HG22 ' B' ' 12' ' ' VAL . 6.3 m -66.45 -38.77 82.45 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 CA-C-N 114.468 -1.242 . . . . 0.0 110.383 178.285 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 13' ' ' GLU . . . . . 0.455 ' HG2' ' HB3' ' B' ' 9' ' ' SER . 25.5 mt-10 -61.22 -34.61 75.39 Favored 'General case' 0 CA--C 1.519 -0.221 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 179.58 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.04 -50.45 68.39 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.996 178.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 15' ' ' LEU . . . . . 0.57 HD22 ' HB3' ' C' ' 16' ' ' LEU . 47.7 mt -61.37 -43.71 98.4 Favored 'General case' 0 C--O 1.226 -0.18 0 CA-C-O 121.68 0.752 . . . . 0.0 109.537 178.592 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 16' ' ' TYR . . . . . 0.552 ' CD2' ' HE2' ' D' ' 24' ' ' PHE . 0.6 OUTLIER -57.22 -47.62 80.84 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 114.273 -1.331 . . . . 0.0 111.723 -179.162 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . 0.553 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 1.9 mm? -59.77 -42.2 92.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.049 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . 0.404 HG12 HD22 ' C' ' 13' ' ' LEU . 47.1 t -75.71 -33.44 26.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.51 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 19' ' ' CYS . . . . . 0.407 ' HB2' ' O ' ' D' ' 15' ' ' LEU . 0.1 OUTLIER -83.95 2.63 37.83 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -178.518 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.66 -113.41 5.69 Favored Glycine 0 CA--C 1.519 0.282 0 C-N-CA 120.864 -0.684 . . . . 0.0 113.021 179.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 -126.17 21.6 7.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.191 0.52 . . . . 0.0 110.445 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 22' ' ' ARG . . . . . . . . . . . . . 35.2 ttm105 -79.51 -42.81 24.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.403 0.62 . . . . 0.0 110.783 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 23' ' ' GLY . . . . . . . . . . . . . . . 109.57 170.86 20.4 Favored Glycine 0 N--CA 1.445 -0.766 0 N-CA-C 110.726 -0.949 . . . . 0.0 110.726 -178.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 24' ' ' PHE . . . . . 0.622 ' HZ ' ' HB ' ' D' ' 12' ' ' VAL . 51.2 p90 -154.44 -178.24 7.01 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.348 0.594 . . . . 0.0 111.126 -179.684 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 25' ' ' PHE . . . . . . . . . . . . . 7.6 p90 -122.99 140.62 52.84 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 178.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 26' ' ' TYR . . . . . 0.661 ' HE1' HD12 ' C' ' 2' ' ' ILE . 16.4 t80 -133.62 86.61 2.3 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 119.753 -0.779 . . . . 0.0 112.0 -178.663 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 27' ' ' THR . . . . . . . . . . . . . 8.8 m -115.53 83.9 11.54 Favored Pre-proline 0 C--N 1.316 -0.88 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 177.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 28' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -79.65 -2.28 12.09 Favored 'Trans proline' 0 N--CA 1.46 -0.494 0 C-N-CA 122.888 2.392 . . . . 0.0 112.65 -177.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 57.0 tttm -64.06 103.12 0.56 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.147 179.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 6.3 m . . . . . 0 C--O 1.246 0.913 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.431 -179.667 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.571 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' E' E ' 2' ' ' ILE . . . . . 0.695 HD12 ' HE1' ' F' ' 26' ' ' TYR . 11.4 tt -168.88 -26.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 120.835 0.35 . . . . 0.0 110.676 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 3' ' ' VAL . . . . . 0.799 HG23 ' HG3' ' F' ' 4' ' ' GLN . 40.2 t -59.25 -76.66 0.03 OUTLIER 'Isoleucine or valine' 0 C--O 1.225 -0.218 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.135 -179.711 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 4' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -57.54 -35.25 70.06 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.23 0.538 . . . . 0.0 110.633 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 5' ' ' GLN . . . . . 0.445 ' HG2' ' SG ' ' E' ' 11' ' ' CYS . 33.4 tt0 -60.08 -47.72 84.71 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 113.337 0.865 . . . . 0.0 113.337 -179.518 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 6' ' ' CYS . . . . . . . . . . . . . 81.3 m -101.54 -27.07 13.31 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 -177.166 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 7' ' ' CYS . . . . . . . . . . . . . 12.1 t -78.26 -1.75 34.52 Favored 'General case' 0 C--N 1.322 -0.623 0 O-C-N 122.101 -0.375 . . . . 0.0 111.261 -178.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 15.1 t -83.72 -43.29 15.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.074 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 9' ' ' SER . . . . . 0.419 ' HA ' ' O ' ' J' ' 2' ' ' VAL . 7.6 p -164.19 26.28 0.07 Allowed 'General case' 0 C--O 1.233 0.197 0 CA-C-O 120.682 0.277 . . . . 0.0 111.523 -179.605 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 10' ' ' ILE . . . . . 0.703 HD12 ' HB3' ' J' ' 3' ' ' ASN . 1.7 mp 70.17 136.7 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 CA-C-O 121.737 0.78 . . . . 0.0 112.736 179.27 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 11' ' ' CYS . . . . . 0.567 ' HB3' ' HG2' ' E' ' 15' ' ' GLN . 96.6 m -95.01 157.47 15.88 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.044 -0.98 . . . . 0.0 109.525 178.451 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 12' ' ' SER . . . . . . . . . . . . . 32.7 m -72.28 168.27 18.67 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.629 0.252 . . . . 0.0 111.067 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 13' ' ' LEU . . . . . 0.416 ' C ' HD21 ' E' ' 13' ' ' LEU . 8.7 tt -56.74 -52.8 63.57 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -178.391 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -64.02 -25.7 68.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.676 0.274 . . . . 0.0 111.365 -179.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . 0.567 ' HG2' ' HB3' ' E' ' 11' ' ' CYS . 4.8 tp-100 -65.25 -38.75 91.32 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.153 0.501 . . . . 0.0 109.903 179.076 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 16' ' ' LEU . . . . . 0.551 ' HB3' HD22 ' F' ' 15' ' ' LEU . 71.8 mt -72.17 -29.72 64.28 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.576 -179.647 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 17' ' ' GLU . . . . . . . . . . . . . 76.9 tt0 -60.77 -23.53 65.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.967 0.413 . . . . 0.0 111.35 -179.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 18' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -65.93 -13.23 59.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.426 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 19' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -109.2 13.91 24.14 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.131 0.491 . . . . 0.0 110.851 -179.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 20' ' ' CYS . . . . . . . . . . . . . 1.1 m -86.02 159.95 19.45 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.45 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.246 0.891 0 CA-C-O 118.169 -0.92 . . . . 0.0 109.616 179.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 1' ' ' PHE . . . . . 0.492 ' O ' HG21 ' F' ' 2' ' ' VAL . 56.9 t80 . . . . . 0 N--CA 1.483 1.176 0 CA-C-O 120.196 0.046 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 2' ' ' VAL . . . . . 0.492 HG21 ' O ' ' F' ' 1' ' ' PHE . 34.6 m 47.09 -139.02 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 C-N-CA 124.072 0.949 . . . . 0.0 112.4 -178.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' F' F ' 3' ' ' ASN . . . . . 0.677 ' HB3' HD12 ' A' ' 10' ' ' ILE . 13.8 t-20 -161.13 169.23 22.77 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 122.228 -0.295 . . . . 0.0 110.848 -177.412 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' F' F ' 4' ' ' GLN . . . . . 0.799 ' HG3' HG23 ' E' ' 3' ' ' VAL . 4.5 tt0 -46.43 -36.39 6.5 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 124.103 0.961 . . . . 0.0 111.139 177.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' F' F ' 5' ' ' HIS . . . . . 0.541 ' CE1' ' HA ' ' H' ' 17' ' ' LEU . 80.9 t60 -58.29 -16.92 16.11 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 115.01 -0.995 . . . . 0.0 112.902 -179.416 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' F' F ' 6' ' ' LEU . . . . . 0.61 HD22 ' H4 ' ' A' ' 22' ' ' IPH . 12.7 mt -117.65 -48.0 2.6 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 122.217 -0.302 . . . . 0.0 111.793 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' F' F ' 7' ' ' CYS . . . . . . . . . . . . . 47.1 t -61.74 -44.14 97.49 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.729 0.299 . . . . 0.0 110.905 -179.251 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.08 -30.0 74.36 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.973 -0.632 . . . . 0.0 112.489 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 9' ' ' SER . . . . . 0.481 ' HB3' ' HG2' ' H' ' 13' ' ' GLU . 5.1 m -66.29 -4.64 8.28 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 122.481 0.313 . . . . 0.0 111.704 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' F' F ' 10' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -122.52 -15.22 7.62 Favored 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 111.644 0.239 . . . . 0.0 111.644 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 11' ' ' LEU . . . . . 0.882 HD21 ' H3 ' ' E' ' 22' ' ' IPH . 25.8 mt -72.66 -18.15 61.59 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 177.693 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' F' F ' 12' ' ' VAL . . . . . 0.641 ' HB ' ' HZ ' ' F' ' 24' ' ' PHE . 6.8 m -66.1 -38.73 82.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 CA-C-N 114.735 -1.12 . . . . 0.0 110.566 178.169 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' F' F ' 13' ' ' GLU . . . . . 0.465 ' HG2' ' HB3' ' H' ' 9' ' ' SER . 25.8 mt-10 -61.23 -34.99 76.02 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 179.633 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' F' F ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.7 -51.02 66.89 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.071 178.239 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 15' ' ' LEU . . . . . 0.551 HD22 ' HB3' ' E' ' 16' ' ' LEU . 44.2 mt -60.74 -43.6 97.72 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 121.799 0.809 . . . . 0.0 109.751 178.487 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' F' F ' 16' ' ' TYR . . . . . 0.563 ' CD2' ' HE2' ' F' ' 24' ' ' PHE . 0.6 OUTLIER -57.36 -48.28 79.44 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.178 -1.373 . . . . 0.0 111.71 -179.143 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' F' F ' 17' ' ' LEU . . . . . 0.531 ' HA ' ' CE1' ' H' ' 5' ' ' HIS . 1.9 mm? -58.73 -42.92 89.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.987 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 47.4 t -74.89 -34.85 34.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.612 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 19' ' ' CYS . . . . . 0.41 ' HB2' ' O ' ' F' ' 15' ' ' LEU . 0.1 OUTLIER -83.31 4.29 27.82 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -178.561 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' F' F ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.99 -114.76 6.7 Favored Glycine 0 CA--C 1.519 0.297 0 C-N-CA 120.915 -0.66 . . . . 0.0 112.729 179.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 21' ' ' GLU . . . . . . . . . . . . . 79.9 mt-10 -124.8 22.85 8.08 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.117 0.484 . . . . 0.0 110.745 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 22' ' ' ARG . . . . . . . . . . . . . 35.6 ttm105 -80.96 -41.66 22.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.263 0.554 . . . . 0.0 110.719 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 23' ' ' GLY . . . . . . . . . . . . . . . 108.75 170.8 21.01 Favored Glycine 0 N--CA 1.444 -0.819 0 N-CA-C 110.741 -0.944 . . . . 0.0 110.741 -178.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 24' ' ' PHE . . . . . 0.641 ' HZ ' ' HB ' ' F' ' 12' ' ' VAL . 51.1 p90 -154.13 -177.79 6.67 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.226 0.536 . . . . 0.0 110.974 -179.525 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' F' F ' 25' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -123.33 140.79 52.65 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 178.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 26' ' ' TYR . . . . . 0.695 ' HE1' HD12 ' E' ' 2' ' ' ILE . 17.2 t80 -133.96 85.8 2.23 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 119.519 -0.873 . . . . 0.0 111.977 -178.703 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' F' F ' 27' ' ' THR . . . . . . . . . . . . . 9.8 m -114.62 84.15 9.7 Favored Pre-proline 0 C--N 1.316 -0.85 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 177.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 28' ' ' PRO . . . . . 0.402 ' HB2' ' CG2' ' E' ' 3' ' ' VAL . 97.8 Cg_endo -79.94 -1.71 11.61 Favored 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 122.782 2.322 . . . . 0.0 112.823 -177.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' F' F ' 29' ' ' LYS . . . . . . . . . . . . . 55.6 tttm -63.96 106.49 1.04 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.831 179.23 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 30' ' ' THR . . . . . . . . . . . . . 13.2 m . . . . . 0 C--O 1.248 0.98 0 CA-C-O 118.341 -0.838 . . . . 0.0 109.857 -179.313 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' G' G ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.894 0 N-CA-C 111.93 -0.468 . . . . 0.0 111.93 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' G' G ' 2' ' ' ILE . . . . . 0.674 HD12 ' HE1' ' H' ' 26' ' ' TYR . 11.5 tt -168.64 -27.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 120.743 0.306 . . . . 0.0 110.765 179.498 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' G' G ' 3' ' ' VAL . . . . . 0.813 HG23 ' HG3' ' H' ' 4' ' ' GLN . 40.8 t -59.2 -75.87 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.519 -0.213 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.081 -179.521 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' G' G ' 4' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -58.22 -34.47 70.45 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.295 0.569 . . . . 0.0 110.93 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 5' ' ' GLN . . . . . 0.428 ' HG2' ' SG ' ' G' ' 11' ' ' CYS . 32.9 tt0 -60.99 -48.35 82.25 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.467 -0.788 . . . . 0.0 112.912 -179.436 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' G' G ' 6' ' ' CYS . . . . . . . . . . . . . 83.0 m -100.43 -26.97 13.68 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 -177.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 7' ' ' CYS . . . . . . . . . . . . . 11.0 t -78.37 -2.32 37.68 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.18 -179.062 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 8' ' ' THR . . . . . . . . . . . . . 11.5 t -82.39 -43.73 16.99 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 121.208 -0.197 . . . . 0.0 111.153 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 9' ' ' SER . . . . . 0.434 ' HA ' ' O ' ' D' ' 2' ' ' VAL . 13.4 p -164.11 26.09 0.07 Allowed 'General case' 0 CA--C 1.53 0.206 0 CA-C-O 120.684 0.278 . . . . 0.0 111.733 -179.41 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' G' G ' 10' ' ' ILE . . . . . 0.656 HD12 ' HB3' ' D' ' 3' ' ' ASN . 1.7 mp 70.28 134.95 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 CA-C-O 121.785 0.802 . . . . 0.0 113.102 179.145 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' G' G ' 11' ' ' CYS . . . . . 0.605 ' HB3' ' HG2' ' G' ' 15' ' ' GLN . 99.8 m -92.75 159.55 15.36 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.698 178.535 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' G' G ' 12' ' ' SER . . . . . . . . . . . . . 50.5 m -74.67 168.7 19.3 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.715 0.293 . . . . 0.0 111.017 179.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 13' ' ' LEU . . . . . 0.409 HD22 HG12 ' H' ' 18' ' ' VAL . 8.6 tt -56.2 -54.09 49.37 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.78 -178.565 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -62.48 -26.02 68.31 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -179.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 15' ' ' GLN . . . . . 0.605 ' HG2' ' HB3' ' G' ' 11' ' ' CYS . 3.4 tp-100 -65.83 -38.56 89.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.3 0.571 . . . . 0.0 109.85 179.523 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' G' G ' 16' ' ' LEU . . . . . 0.555 ' HB3' HD22 ' H' ' 15' ' ' LEU . 68.5 mt -72.4 -29.89 64.15 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.241 -0.891 . . . . 0.0 111.425 -179.515 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' G' G ' 17' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -60.7 -22.55 64.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.951 0.405 . . . . 0.0 111.3 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 18' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -67.05 -13.21 61.7 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.494 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 19' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 -109.13 13.25 24.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.155 0.502 . . . . 0.0 110.605 -179.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 20' ' ' CYS . . . . . . . . . . . . . 1.1 m -85.78 157.82 20.15 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.26 179.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 21' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.252 -0.88 . . . . 0.0 109.436 179.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 1' ' ' PHE . . . . . 0.474 ' O ' HG21 ' H' ' 2' ' ' VAL . 56.5 t80 . . . . . 0 N--CA 1.479 1.016 0 CA-C-O 120.383 0.135 . . . . 0.0 110.79 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 2' ' ' VAL . . . . . 0.474 HG21 ' O ' ' H' ' 1' ' ' PHE . 33.5 m 46.37 -140.69 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 C-N-CA 124.13 0.972 . . . . 0.0 112.494 -178.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' H' H ' 3' ' ' ASN . . . . . 0.699 ' HB3' HD12 ' K' ' 10' ' ' ILE . 14.5 t-20 -159.68 169.36 23.88 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 122.207 -0.308 . . . . 0.0 110.942 -177.335 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' H' H ' 4' ' ' GLN . . . . . 0.813 ' HG3' HG23 ' G' ' 3' ' ' VAL . 4.3 tt0 -46.23 -36.64 6.3 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 124.192 0.997 . . . . 0.0 110.961 178.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' H' H ' 5' ' ' HIS . . . . . 0.531 ' CE1' ' HA ' ' F' ' 17' ' ' LEU . 79.5 t60 -57.76 -17.86 18.11 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 114.781 -1.1 . . . . 0.0 112.926 -179.509 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' H' H ' 6' ' ' LEU . . . . . 0.632 HD22 ' H4 ' ' K' ' 22' ' ' IPH . 12.6 mt -116.81 -47.46 2.7 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 179.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' H' H ' 7' ' ' CYS . . . . . . . . . . . . . 49.5 t -62.47 -43.58 98.47 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.687 0.28 . . . . 0.0 110.932 -179.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.57 -29.28 73.12 Favored Glycine 0 C--N 1.332 0.333 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.527 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 9' ' ' SER . . . . . 0.465 ' HB3' ' HG2' ' F' ' 13' ' ' GLU . 4.4 m -66.65 -4.57 9.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.738 0.304 . . . . 0.0 111.725 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' H' H ' 10' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -122.45 -15.0 7.71 Favored 'General case' 0 CA--C 1.514 -0.412 0 C-N-CA 120.98 -0.288 . . . . 0.0 111.683 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 11' ' ' LEU . . . . . 0.86 HD21 ' H3 ' ' G' ' 22' ' ' IPH . 28.4 mt -72.78 -17.99 61.53 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 177.796 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' H' H ' 12' ' ' VAL . . . . . 0.641 HG22 HG22 ' F' ' 12' ' ' VAL . 6.6 m -66.32 -39.37 84.02 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.403 0 CA-C-N 114.612 -1.177 . . . . 0.0 110.337 178.193 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' H' H ' 13' ' ' GLU . . . . . 0.481 ' HG2' ' HB3' ' F' ' 9' ' ' SER . 25.8 mt-10 -60.56 -35.07 75.15 Favored 'General case' 0 CA--C 1.519 -0.215 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 179.694 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' H' H ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.71 -51.09 66.56 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.274 -0.875 . . . . 0.0 110.042 178.299 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 15' ' ' LEU . . . . . 0.555 HD22 ' HB3' ' G' ' 16' ' ' LEU . 45.0 mt -60.87 -43.55 98.24 Favored 'General case' 0 C--O 1.226 -0.156 0 CA-C-O 121.708 0.766 . . . . 0.0 109.63 178.581 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' H' H ' 16' ' ' TYR . . . . . 0.562 ' CD2' ' HE2' ' H' ' 24' ' ' PHE . 0.6 OUTLIER -57.67 -47.62 81.78 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.386 -1.279 . . . . 0.0 111.702 -179.174 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' H' H ' 17' ' ' LEU . . . . . 0.541 ' HA ' ' CE1' ' F' ' 5' ' ' HIS . 1.9 mm? -59.43 -42.27 91.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.017 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . 0.409 HG12 HD22 ' G' ' 13' ' ' LEU . 44.0 t -75.52 -33.67 27.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.394 -179.809 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' H' H ' 19' ' ' CYS . . . . . 0.425 ' HB2' ' O ' ' H' ' 15' ' ' LEU . 0.1 OUTLIER -84.49 4.24 32.71 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 112.597 0.591 . . . . 0.0 112.597 -178.469 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' H' H ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.72 -115.05 6.95 Favored Glycine 0 CA--C 1.52 0.377 0 C-N-CA 120.978 -0.63 . . . . 0.0 112.874 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 21' ' ' GLU . . . . . . . . . . . . . 83.4 mt-10 -124.67 23.42 8.04 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.04 0.448 . . . . 0.0 110.443 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 22' ' ' ARG . . . . . . . . . . . . . 36.1 ttm105 -81.31 -43.16 19.52 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.238 0.542 . . . . 0.0 110.69 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 23' ' ' GLY . . . . . . . . . . . . . . . 109.91 171.0 20.15 Favored Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -178.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 24' ' ' PHE . . . . . 0.612 ' HZ ' ' HB ' ' H' ' 12' ' ' VAL . 51.1 p90 -154.35 -177.76 6.67 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.284 0.564 . . . . 0.0 110.922 -179.419 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' H' H ' 25' ' ' PHE . . . . . . . . . . . . . 7.3 p90 -123.6 140.23 53.21 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 178.259 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 26' ' ' TYR . . . . . 0.674 ' HE1' HD12 ' G' ' 2' ' ' ILE . 17.8 t80 -133.43 85.96 2.25 Favored 'General case' 0 N--CA 1.446 -0.639 0 C-N-CA 119.711 -0.796 . . . . 0.0 112.031 -178.706 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' H' H ' 27' ' ' THR . . . . . . . . . . . . . 11.4 m -114.67 84.58 10.27 Favored Pre-proline 0 C--N 1.318 -0.788 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 177.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 28' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -79.81 -3.28 12.72 Favored 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 122.659 2.24 . . . . 0.0 112.953 -177.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 29' ' ' LYS . . . . . . . . . . . . . 55.6 tttm -62.23 105.19 0.57 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.257 179.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 30' ' ' THR . . . . . . . . . . . . . 8.8 m . . . . . 0 C--O 1.256 1.413 0 CA-C-O 118.632 -0.699 . . . . 0.0 109.682 -179.553 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' I' I ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.745 0 N-CA-C 112.177 -0.369 . . . . 0.0 112.177 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' I' I ' 2' ' ' ILE . . . . . 0.659 HD12 ' HE1' ' J' ' 26' ' ' TYR . 11.6 tt -166.58 -26.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-O 120.88 0.371 . . . . 0.0 111.115 179.52 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' I' I ' 3' ' ' VAL . . . . . 0.818 HG23 ' HG3' ' J' ' 4' ' ' GLN . 38.3 t -59.01 -76.27 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.224 -0.26 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.214 -179.6 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' I' I ' 4' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -57.77 -33.96 69.08 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.372 0.606 . . . . 0.0 111.201 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 5' ' ' GLN . . . . . 0.421 ' HG2' ' SG ' ' I' ' 11' ' ' CYS . 33.0 tt0 -62.18 -47.15 85.75 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.414 -0.812 . . . . 0.0 113.01 -179.55 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' I' I ' 6' ' ' CYS . . . . . . . . . . . . . 81.5 m -101.55 -26.73 13.44 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 113.603 0.964 . . . . 0.0 113.603 -177.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 7' ' ' CYS . . . . . . . . . . . . . 11.4 t -78.47 -2.26 37.66 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 122.085 -0.385 . . . . 0.0 111.154 -179.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 8' ' ' THR . . . . . . . . . . . . . 13.3 t -82.95 -43.53 16.35 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 122.382 -0.199 . . . . 0.0 111.081 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 9' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' B' ' 2' ' ' VAL . 23.1 p -164.01 26.14 0.07 Allowed 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 111.608 0.225 . . . . 0.0 111.608 -179.723 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' I' I ' 10' ' ' ILE . . . . . 0.706 HD12 ' HB3' ' B' ' 3' ' ' ASN . 1.7 mp 70.63 136.24 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.574 0 CA-C-O 121.987 0.898 . . . . 0.0 112.869 179.007 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' I' I ' 11' ' ' CYS . . . . . 0.581 ' HB3' ' HG2' ' I' ' 15' ' ' GLN . 97.1 m -95.06 157.5 15.87 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.026 -0.988 . . . . 0.0 109.51 178.649 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' I' I ' 12' ' ' SER . . . . . . . . . . . . . 50.7 m -72.55 166.82 21.93 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.882 0.372 . . . . 0.0 111.027 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 13' ' ' LEU . . . . . . . . . . . . . 8.5 tt -55.16 -53.05 60.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.92 -178.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -63.97 -24.59 67.78 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.642 0.238 . . . . 0.0 111.642 -179.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 15' ' ' GLN . . . . . 0.581 ' HG2' ' HB3' ' I' ' 11' ' ' CYS . 3.8 tp-100 -67.12 -38.05 84.94 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.17 0.509 . . . . 0.0 109.941 179.208 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' I' I ' 16' ' ' LEU . . . . . 0.578 ' HB3' HD22 ' J' ' 15' ' ' LEU . 65.7 mt -72.7 -29.57 63.5 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.432 -179.679 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' I' I ' 17' ' ' GLU . . . . . . . . . . . . . 77.4 tt0 -61.05 -21.84 64.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.779 0.323 . . . . 0.0 111.322 -179.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 18' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -67.36 -13.58 62.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.749 0.309 . . . . 0.0 111.279 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 19' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -108.72 13.98 24.7 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.119 0.485 . . . . 0.0 110.745 -179.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 20' ' ' CYS . . . . . . . . . . . . . 1.1 m -86.89 157.43 19.53 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.306 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.247 0.925 0 CA-C-O 118.379 -0.82 . . . . 0.0 109.465 179.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' J' J ' 1' ' ' PHE . . . . . 0.5 ' O ' HG21 ' J' ' 2' ' ' VAL . 55.7 t80 . . . . . 0 N--CA 1.482 1.146 0 CA-C-O 120.378 0.132 . . . . 0.0 110.665 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' J' J ' 2' ' ' VAL . . . . . 0.5 HG21 ' O ' ' J' ' 1' ' ' PHE . 33.9 m 47.08 -139.33 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 C-N-CA 124.12 0.968 . . . . 0.0 112.484 -178.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' J' J ' 3' ' ' ASN . . . . . 0.703 ' HB3' HD12 ' E' ' 10' ' ' ILE . 14.0 t-20 -161.71 168.67 22.87 Favored 'General case' 0 C--O 1.237 0.419 0 O-C-N 122.236 -0.29 . . . . 0.0 110.734 -177.373 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' J' J ' 4' ' ' GLN . . . . . 0.818 ' HG3' HG23 ' I' ' 3' ' ' VAL . 4.7 tt0 -45.59 -36.54 4.78 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 124.604 1.161 . . . . 0.0 111.092 177.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' J' J ' 5' ' ' HIS . . . . . 0.583 ' CE1' ' HA ' ' L' ' 17' ' ' LEU . 80.7 t60 -58.5 -17.5 21.74 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 114.796 -1.093 . . . . 0.0 112.861 -179.224 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' J' J ' 6' ' ' LEU . . . . . 0.618 HD22 ' H4 ' ' E' ' 22' ' ' IPH . 12.9 mt -116.92 -47.69 2.68 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' J' J ' 7' ' ' CYS . . . . . . . . . . . . . 47.9 t -62.41 -43.73 98.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.581 0.229 . . . . 0.0 110.872 -178.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' J' J ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.58 -29.48 73.74 Favored Glycine 0 C--N 1.33 0.234 0 C-N-CA 120.993 -0.623 . . . . 0.0 112.512 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' J' J ' 9' ' ' SER . . . . . 0.462 ' HB3' ' HG2' ' L' ' 13' ' ' GLU . 4.7 m -66.55 -4.39 8.42 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 122.362 0.265 . . . . 0.0 111.679 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' J' J ' 10' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -122.72 -15.0 7.6 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 121.036 -0.266 . . . . 0.0 111.662 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' J' J ' 11' ' ' LEU . . . . . 0.891 HD21 ' H3 ' ' I' ' 22' ' ' IPH . 27.4 mt -72.8 -17.74 61.54 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 177.816 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' J' J ' 12' ' ' VAL . . . . . 0.635 ' HB ' ' HZ ' ' J' ' 24' ' ' PHE . 6.4 m -66.71 -38.78 82.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 CA-C-N 114.481 -1.236 . . . . 0.0 110.372 178.262 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' J' J ' 13' ' ' GLU . . . . . 0.475 ' HG2' ' HB3' ' L' ' 9' ' ' SER . 25.7 mt-10 -61.45 -34.42 75.39 Favored 'General case' 0 CA--C 1.52 -0.21 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 179.732 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' J' J ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.42 -50.47 67.43 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.984 178.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' J' J ' 15' ' ' LEU . . . . . 0.578 HD22 ' HB3' ' I' ' 16' ' ' LEU . 47.1 mt -61.2 -43.74 98.4 Favored 'General case' 0 C--O 1.225 -0.23 0 CA-C-O 121.817 0.818 . . . . 0.0 109.651 178.473 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' J' J ' 16' ' ' TYR . . . . . 0.557 ' CD2' ' HE2' ' J' ' 24' ' ' PHE . 0.7 OUTLIER -56.91 -48.19 78.82 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.209 -1.36 . . . . 0.0 111.811 -179.264 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' J' J ' 17' ' ' LEU . . . . . 0.559 ' HA ' ' CE1' ' L' ' 5' ' ' HIS . 1.9 mm? -59.69 -41.29 90.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.932 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 48.0 t -76.41 -33.61 23.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.344 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' J' J ' 19' ' ' CYS . . . . . 0.412 ' HB2' ' O ' ' J' ' 15' ' ' LEU . 0.1 OUTLIER -84.22 4.22 31.76 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 -178.649 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' J' J ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.84 -114.19 6.08 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.949 -0.644 . . . . 0.0 112.862 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' J' J ' 21' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -126.27 25.39 6.64 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.203 0.525 . . . . 0.0 110.358 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' J' J ' 22' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' J' ' 22' ' ' ARG . 34.4 ttm105 -83.36 -41.68 17.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.475 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' J' J ' 23' ' ' GLY . . . . . . . . . . . . . . . 108.94 171.04 20.88 Favored Glycine 0 N--CA 1.447 -0.602 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 -178.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' J' J ' 24' ' ' PHE . . . . . 0.635 ' HZ ' ' HB ' ' J' ' 12' ' ' VAL . 51.2 p90 -154.24 -177.6 6.55 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.203 0.525 . . . . 0.0 110.897 -179.6 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' J' J ' 25' ' ' PHE . . . . . . . . . . . . . 7.5 p90 -123.88 139.9 53.51 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 178.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' J' J ' 26' ' ' TYR . . . . . 0.659 ' HE1' HD12 ' I' ' 2' ' ' ILE . 17.1 t80 -133.12 86.47 2.31 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 119.683 -0.807 . . . . 0.0 112.084 -178.719 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' J' J ' 27' ' ' THR . . . . . . . . . . . . . 11.3 m -115.62 84.19 12.15 Favored Pre-proline 0 C--N 1.317 -0.846 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 177.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' J' J ' 28' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_endo -79.43 -3.28 12.89 Favored 'Trans proline' 0 C--O 1.236 0.376 0 C-N-CA 122.902 2.402 . . . . 0.0 112.884 -177.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' J' J ' 29' ' ' LYS . . . . . . . . . . . . . 53.9 tttm -62.65 102.65 0.35 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.265 0.555 . . . . 0.0 110.168 179.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' J' J ' 30' ' ' THR . . . . . . . . . . . . . 7.6 m . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.481 -0.771 . . . . 0.0 109.705 -179.718 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.474 0 N-CA-C 111.78 -0.528 . . . . 0.0 111.78 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' K' K ' 2' ' ' ILE . . . . . 0.689 HD12 ' HE1' ' L' ' 26' ' ' TYR . 11.6 tt -167.18 -26.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 O-C-N 122.495 -0.415 . . . . 0.0 110.938 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' K' K ' 3' ' ' VAL . . . . . 0.816 HG23 ' HG3' ' L' ' 4' ' ' GLN . 40.8 t -59.0 -76.59 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.032 -179.677 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' K' K ' 4' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -57.76 -34.37 69.48 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.032 0.444 . . . . 0.0 110.849 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' K' K ' 5' ' ' GLN . . . . . 0.416 ' HG2' ' SG ' ' K' ' 11' ' ' CYS . 32.4 tt0 -61.67 -47.54 84.89 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 -179.374 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' K' K ' 6' ' ' CYS . . . . . . . . . . . . . 82.1 m -101.32 -26.98 13.43 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 113.548 0.944 . . . . 0.0 113.548 -177.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' K' K ' 7' ' ' CYS . . . . . . . . . . . . . 11.7 t -78.39 -1.73 34.88 Favored 'General case' 0 C--N 1.321 -0.664 0 O-C-N 121.879 -0.513 . . . . 0.0 111.274 -178.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' K' K ' 8' ' ' THR . . . . . . . . . . . . . 13.5 t -83.0 -44.44 15.24 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.631 -0.259 . . . . 0.0 110.979 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' K' K ' 9' ' ' SER . . . . . . . . . . . . . 11.9 p -163.3 26.18 0.09 Allowed 'General case' 0 C--O 1.232 0.173 0 CA-C-O 120.555 0.217 . . . . 0.0 111.509 -179.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' K' K ' 10' ' ' ILE . . . . . 0.699 HD12 ' HB3' ' H' ' 3' ' ' ASN . 1.7 mp 70.56 136.24 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 CA-C-O 121.86 0.838 . . . . 0.0 112.871 179.132 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' K' K ' 11' ' ' CYS . . . . . 0.58 ' HB3' ' HG2' ' K' ' 15' ' ' GLN . 98.4 m -94.69 157.58 15.89 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.087 -0.961 . . . . 0.0 109.592 178.452 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' K' K ' 12' ' ' SER . . . . . . . . . . . . . 46.9 m -71.89 168.01 18.83 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.72 0.295 . . . . 0.0 111.236 179.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' K' K ' 13' ' ' LEU . . . . . 0.424 HD22 HG12 ' L' ' 18' ' ' VAL . 8.5 tt -56.61 -52.92 63.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.851 -178.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -63.95 -25.08 67.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.647 0.26 . . . . 0.0 111.686 -179.279 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' K' K ' 15' ' ' GLN . . . . . 0.58 ' HG2' ' HB3' ' K' ' 11' ' ' CYS . 3.7 tp-100 -66.83 -38.13 85.84 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.217 0.532 . . . . 0.0 109.819 179.584 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' K' K ' 16' ' ' LEU . . . . . 0.565 ' HB3' HD22 ' L' ' 15' ' ' LEU . 67.5 mt -72.57 -29.55 63.63 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.363 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' K' K ' 17' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -61.21 -21.52 63.91 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 121.014 0.435 . . . . 0.0 111.542 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' K' K ' 18' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -67.47 -14.65 63.12 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.939 0.4 . . . . 0.0 111.207 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' K' K ' 19' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -107.42 13.42 26.97 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.025 0.44 . . . . 0.0 110.984 -179.099 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' K' K ' 20' ' ' CYS . . . . . . . . . . . . . 1.1 m -85.6 158.71 20.04 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.323 179.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' K' K ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.247 0.958 0 CA-C-O 118.224 -0.893 . . . . 0.0 109.345 179.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' L' L ' 1' ' ' PHE . . . . . 0.492 ' O ' HG21 ' L' ' 2' ' ' VAL . 57.2 t80 . . . . . 0 N--CA 1.483 1.191 0 CA-C-O 120.301 0.096 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' L' L ' 2' ' ' VAL . . . . . 0.492 HG21 ' O ' ' L' ' 1' ' ' PHE . 33.6 m 46.51 -139.6 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 C-N-CA 123.92 0.888 . . . . 0.0 112.536 -179.027 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' L' L ' 3' ' ' ASN . . . . . 0.659 ' HB3' HD12 ' C' ' 10' ' ' ILE . 16.2 t-20 -161.3 168.53 23.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 122.259 -0.275 . . . . 0.0 110.942 -177.388 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' L' L ' 4' ' ' GLN . . . . . 0.816 ' HG3' HG23 ' K' ' 3' ' ' VAL . 4.8 tt0 -45.26 -36.49 4.01 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 124.407 1.083 . . . . 0.0 111.082 178.02 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' L' L ' 5' ' ' HIS . . . . . 0.559 ' CE1' ' HA ' ' J' ' 17' ' ' LEU . 80.6 t60 -58.08 -17.92 21.3 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 114.817 -1.083 . . . . 0.0 112.991 -179.507 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' L' L ' 6' ' ' LEU . . . . . 0.629 HD22 ' H4 ' ' C' ' 22' ' ' IPH . 13.0 mt -116.74 -48.12 2.68 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.038 0.384 . . . . 0.0 112.038 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' L' L ' 7' ' ' CYS . . . . . . . . . . . . . 46.8 t -61.81 -44.17 97.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.643 0.258 . . . . 0.0 110.876 -179.071 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' L' L ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.0 -29.2 71.94 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.617 179.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' L' L ' 9' ' ' SER . . . . . 0.475 ' HB3' ' HG2' ' J' ' 13' ' ' GLU . 5.3 m -66.77 -4.57 9.41 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 122.392 0.277 . . . . 0.0 111.656 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' L' L ' 10' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -122.75 -14.54 7.68 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.651 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' L' L ' 11' ' ' LEU . . . . . 0.887 HD21 ' H3 ' ' K' ' 22' ' ' IPH . 26.5 mt -73.51 -17.49 61.21 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 177.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' L' L ' 12' ' ' VAL . . . . . 0.635 ' HB ' ' HZ ' ' L' ' 24' ' ' PHE . 6.2 m -66.77 -38.9 82.45 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 CA-C-N 114.682 -1.145 . . . . 0.0 110.342 178.313 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' L' L ' 13' ' ' GLU . . . . . 0.462 ' HG2' ' HB3' ' J' ' 9' ' ' SER . 25.7 mt-10 -61.01 -34.74 75.29 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 179.698 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' L' L ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.27 -50.55 67.49 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.058 178.412 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' L' L ' 15' ' ' LEU . . . . . 0.565 HD22 ' HB3' ' K' ' 16' ' ' LEU . 44.7 mt -61.28 -43.73 98.4 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-O 121.776 0.798 . . . . 0.0 109.555 178.493 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' L' L ' 16' ' ' TYR . . . . . 0.566 ' CD2' ' HE2' ' L' ' 24' ' ' PHE . 0.6 OUTLIER -57.02 -47.86 79.87 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.418 -1.264 . . . . 0.0 111.841 -179.265 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' L' L ' 17' ' ' LEU . . . . . 0.583 ' HA ' ' CE1' ' J' ' 5' ' ' HIS . 1.9 mm? -59.54 -41.93 91.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.933 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' L' L ' 18' ' ' VAL . . . . . 0.424 HG12 HD22 ' K' ' 13' ' ' LEU . 45.7 t -76.24 -32.71 22.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.467 -179.769 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' L' L ' 19' ' ' CYS . . . . . 0.426 ' HB2' ' O ' ' L' ' 15' ' ' LEU . 0.1 OUTLIER -85.33 4.39 35.37 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -178.64 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' L' L ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.57 -114.76 6.59 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.971 -0.633 . . . . 0.0 112.776 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' L' L ' 21' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -125.18 24.54 7.42 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.023 0.44 . . . . 0.0 110.407 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' L' L ' 22' ' ' ARG . . . . . . . . . . . . . 34.4 ttm105 -82.0 -42.33 19.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.343 0.592 . . . . 0.0 110.453 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' L' L ' 23' ' ' GLY . . . . . . . . . . . . . . . 109.22 170.83 20.65 Favored Glycine 0 N--CA 1.443 -0.841 0 N-CA-C 110.596 -1.001 . . . . 0.0 110.596 -178.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' L' L ' 24' ' ' PHE . . . . . 0.635 ' HZ ' ' HB ' ' L' ' 12' ' ' VAL . 51.2 p90 -153.96 -177.38 6.36 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.325 0.583 . . . . 0.0 110.997 -179.628 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' L' L ' 25' ' ' PHE . . . . . . . . . . . . . 7.4 p90 -123.93 140.08 53.33 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 178.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' L' L ' 26' ' ' TYR . . . . . 0.689 ' HE1' HD12 ' K' ' 2' ' ' ILE . 17.6 t80 -133.38 85.94 2.25 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 119.674 -0.81 . . . . 0.0 112.066 -178.537 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' L' L ' 27' ' ' THR . . . . . . . . . . . . . 10.0 m -114.81 84.81 10.81 Favored Pre-proline 0 C--N 1.316 -0.857 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 177.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' L' L ' 28' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -80.34 -2.15 11.8 Favored 'Trans proline' 0 N--CA 1.461 -0.426 0 C-N-CA 122.872 2.382 . . . . 0.0 112.803 -177.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' L' L ' 29' ' ' LYS . . . . . . . . . . . . . 55.1 tttm -64.0 103.19 0.56 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.399 0.619 . . . . 0.0 110.335 179.412 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' L' L ' 30' ' ' THR . . . . . . . . . . . . . 7.0 m . . . . . 0 C--O 1.249 1.051 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.477 -179.742 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' IPH . . . . . 0.856 ' H3 ' HD21 ' B' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 22' ' ' IPH . . . . . 0.882 ' H3 ' HD21 ' D' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 22' ' ' IPH . . . . . 0.882 ' H3 ' HD21 ' F' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 22' ' ' IPH . . . . . 0.86 ' H3 ' HD21 ' H' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 22' ' ' IPH . . . . . 0.891 ' H3 ' HD21 ' J' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' K' K ' 22' ' ' IPH . . . . . 0.887 ' H3 ' HD21 ' L' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.96 0 N-CA-C 111.631 -0.588 . . . . 0.0 111.631 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.428 HG21 ' N ' ' A' ' 3' ' ' VAL . 13.6 tt -67.72 -37.57 78.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.649 0.261 . . . . 0.0 110.732 -179.299 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.572 ' O ' ' HB3' ' A' ' 7' ' ' CYS . 87.5 t -73.06 -45.09 55.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.928 0.87 . . . . 0.0 109.24 178.55 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -59.67 -29.49 68.11 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 114.57 -1.195 . . . . 0.0 111.544 179.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.55 ' NE2' ' HH ' ' A' ' 19' ' ' TYR . 36.1 tt0 -101.35 -46.86 4.88 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 -177.596 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.501 ' HB3' ' HB2' ' A' ' 11' ' ' CYS . 39.6 m -108.05 8.41 28.22 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 -175.604 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.79 ' HB2' HD12 ' B' ' 11' ' ' LEU . 8.6 t -111.22 -13.56 13.97 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 121.514 0.673 . . . . 0.0 110.042 178.496 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.1 t -75.05 -14.99 60.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.317 0.58 . . . . 0.0 109.673 178.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.0 t 179.57 169.8 1.09 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 107.068 -1.456 . . . . 0.0 107.068 179.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.546 ' N ' HD11 ' A' ' 10' ' ' ILE . 1.6 mp -62.66 120.36 8.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.861 0.838 . . . . 0.0 110.866 -179.29 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.501 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 2.8 t -80.59 160.77 25.02 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.257 -1.338 . . . . 0.0 110.596 -178.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.528 ' HB2' ' HB2' ' A' ' 15' ' ' GLN . 7.3 m -72.49 141.27 48.56 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.112 179.523 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.433 ' HG ' HG23 ' B' ' 18' ' ' VAL . 10.3 tt -58.21 -47.55 83.13 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 123.419 0.449 . . . . 0.0 110.99 -179.397 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -69.12 -25.18 64.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.435 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.528 ' HB2' ' HB2' ' A' ' 12' ' ' SER . 5.4 tt0 -72.61 -37.34 68.11 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.162 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.491 HD22 ' SG ' ' A' ' 6' ' ' CYS . 75.6 mt -73.63 -25.35 60.26 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.087 178.742 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -65.96 -25.04 66.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.632 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -78.11 -4.07 45.55 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.888 179.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.55 ' HH ' ' NE2' ' A' ' 5' ' ' GLN . 8.5 m-30 -89.59 -97.17 0.1 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.437 179.563 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.454 ' HB3' ' H ' ' A' ' 21' ' ' ASN . 52.3 m 55.44 -138.06 1.09 Allowed 'General case' 0 C--O 1.233 0.205 0 O-C-N 123.241 0.338 . . . . 0.0 110.879 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.722 ' HB2' ' HA ' ' B' ' 24' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--O 1.248 1.003 0 CA-C-O 117.921 -1.038 . . . . 0.0 109.268 179.411 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 5.6 p90 . . . . . 0 N--CA 1.481 1.117 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . 0.749 HG13 HD13 ' B' ' 6' ' ' LEU . 33.1 m -118.59 -156.2 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.8 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . 0.4 ' CG ' ' H ' ' B' ' 4' ' ' GLN . 28.1 t30 -143.74 -177.27 5.33 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.998 0.428 . . . . 0.0 111.137 -178.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . 0.4 ' H ' ' CG ' ' B' ' 3' ' ' ASN . 22.9 tt0 -43.13 -39.9 3.01 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 114.562 -1.199 . . . . 0.0 112.61 179.301 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . 0.468 ' HB2' ' OE2' ' D' ' 21' ' ' GLU . 10.6 t60 -49.69 -47.26 50.41 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -179.509 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.749 HD13 HG13 ' B' ' 2' ' ' VAL . 43.2 mt -86.6 -24.68 25.29 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.412 -178.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 43.7 t -68.26 -46.34 70.69 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 177.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . 0.516 ' HA3' ' HH ' ' B' ' 26' ' ' TYR . . . -67.62 -20.33 71.89 Favored Glycine 0 N--CA 1.449 -0.462 0 CA-C-N 115.42 -0.809 . . . . 0.0 112.728 179.253 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' SER . . . . . 0.456 ' HB3' ' O ' ' B' ' 6' ' ' LEU . 2.0 t -60.98 -19.11 60.74 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.466 0.651 . . . . 0.0 109.729 178.463 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . 0.689 ' HB3' HD23 ' F' ' 6' ' ' LEU . 88.9 m-70 -109.99 -20.69 12.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.851 179.807 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.983 ' HA ' ' H3 ' ' A' ' 22' ' ' IPH . 73.4 mt -66.35 -30.86 71.34 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 178.708 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.648 HG22 HG22 ' D' ' 12' ' ' VAL . 20.4 m -67.35 -33.27 61.53 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.121 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.334 178.805 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 74.4 mt-10 -57.3 -53.94 52.41 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-O 121.408 0.623 . . . . 0.0 110.167 179.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.05 -56.12 24.68 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.879 -1.055 . . . . 0.0 111.878 -179.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 89.7 mt -55.17 -46.33 75.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.158 0.504 . . . . 0.0 111.637 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . 0.56 ' HE2' ' HE2' ' D' ' 26' ' ' TYR . 0.2 OUTLIER -62.15 -54.19 44.65 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.995 -178.745 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.411 ' N ' HD21 ' B' ' 17' ' ' LEU . 4.3 mm? -60.97 -46.12 92.02 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 -178.809 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.433 HG23 ' HG ' ' A' ' 13' ' ' LEU . 99.1 t -66.12 -40.23 86.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 -179.238 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -76.29 -23.57 54.38 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.759 -179.182 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.11 -132.49 11.12 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.425 179.424 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.509 ' OE2' ' HB2' ' D' ' 5' ' ' HIS . 26.9 mm-40 -88.34 49.55 1.81 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.441 0.639 . . . . 0.0 109.702 179.331 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -125.3 -177.2 3.8 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.457 179.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . 0.773 ' CA ' ' HD2' ' D' ' 28' ' ' PRO . . . -113.27 175.69 16.77 Favored Glycine 0 N--CA 1.44 -1.045 0 C-N-CA 120.324 -0.941 . . . . 0.0 112.52 179.622 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . 0.722 ' HA ' ' HB2' ' A' ' 21' ' ' ASN . 5.7 p90 -151.34 141.54 22.28 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-O 121.488 0.661 . . . . 0.0 111.017 179.22 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . 0.426 ' HA ' ' HA ' ' D' ' 25' ' ' PHE . 11.0 p90 -99.12 101.32 12.63 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 106.926 -1.509 . . . . 0.0 106.926 177.432 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.567 ' HE2' ' HE2' ' D' ' 16' ' ' TYR . 12.0 t80 -107.14 102.96 12.25 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.45 -177.406 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' THR . . . . . 0.664 ' HA ' ' HA3' ' D' ' 23' ' ' GLY . 0.5 OUTLIER -114.34 82.29 7.35 Favored Pre-proline 0 C--N 1.321 -0.662 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.441 -179.029 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . 0.772 ' HD2' ' HA2' ' D' ' 23' ' ' GLY . 48.9 Cg_endo -70.48 82.3 0.91 Allowed 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.522 2.148 . . . . 0.0 110.452 178.638 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -134.05 149.21 51.15 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.597 -178.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 22.5 m . . . . . 0 C--O 1.254 1.29 0 CA-C-O 118.22 -0.895 . . . . 0.0 108.974 178.856 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.736 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 2' ' ' ILE . . . . . 0.456 HG21 ' N ' ' C' ' 3' ' ' VAL . 14.5 tt -63.89 -39.96 87.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.838 0.319 . . . . 0.0 111.09 -179.512 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 3' ' ' VAL . . . . . 0.574 ' O ' ' HB3' ' C' ' 7' ' ' CYS . 94.2 t -71.16 -44.63 73.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.722 0.772 . . . . 0.0 109.436 178.602 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -59.72 -30.19 68.64 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 114.644 -1.162 . . . . 0.0 111.688 179.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 5' ' ' GLN . . . . . 0.556 ' NE2' ' HH ' ' C' ' 19' ' ' TYR . 35.6 tt0 -100.82 -46.86 5.0 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 -177.613 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 6' ' ' CYS . . . . . 0.501 ' HB3' ' HB2' ' C' ' 11' ' ' CYS . 40.5 m -107.65 8.6 29.16 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 115.017 1.488 . . . . 0.0 115.017 -175.63 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 7' ' ' CYS . . . . . 0.768 ' HB2' HD12 ' D' ' 11' ' ' LEU . 8.6 t -111.28 -13.91 13.88 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 118.737 0.699 . . . . 0.0 110.139 178.693 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 10.3 t -75.4 -13.43 60.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.308 0.575 . . . . 0.0 109.78 178.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 25.9 t 178.29 169.28 0.79 Allowed 'General case' 0 CA--C 1.513 -0.47 0 N-CA-C 107.165 -1.42 . . . . 0.0 107.165 179.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . 0.577 ' N ' HD11 ' C' ' 10' ' ' ILE . 1.6 mp -62.25 121.5 10.92 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.715 0 CA-C-O 121.965 0.888 . . . . 0.0 110.644 -179.399 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 11' ' ' CYS . . . . . 0.501 ' HB2' ' HB3' ' C' ' 6' ' ' CYS . 2.7 t -82.12 159.99 23.23 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 114.349 -1.296 . . . . 0.0 110.535 -178.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 12' ' ' SER . . . . . 0.548 ' HB2' ' HB2' ' C' ' 15' ' ' GLN . 6.8 m -71.37 140.9 50.34 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.304 179.595 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 13' ' ' LEU . . . . . 0.427 ' HG ' HG23 ' D' ' 18' ' ' VAL . 10.3 tt -57.78 -47.37 82.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.991 -179.698 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -68.68 -26.12 65.14 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.481 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . 0.548 ' HB2' ' HB2' ' C' ' 12' ' ' SER . 5.5 tt0 -71.14 -39.5 71.93 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 179.048 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 16' ' ' LEU . . . . . 0.487 HD22 ' SG ' ' C' ' 6' ' ' CYS . 73.8 mt -71.61 -25.66 62.26 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.092 178.625 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -66.44 -22.81 66.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.588 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -81.31 -0.65 41.92 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.786 179.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 19' ' ' TYR . . . . . 0.556 ' HH ' ' NE2' ' C' ' 5' ' ' GLN . 8.3 m-85 -92.85 -96.68 0.14 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.286 179.382 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 53.1 m 55.08 -138.42 1.08 Allowed 'General case' 0 N--CA 1.465 0.308 0 O-C-N 123.18 0.3 . . . . 0.0 111.127 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 21' ' ' ASN . . . . . 0.697 ' HB2' ' HA ' ' D' ' 24' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--O 1.251 1.134 0 CA-C-O 118.48 -0.771 . . . . 0.0 109.14 179.327 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 5.7 p90 . . . . . 0 N--CA 1.48 1.072 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 2' ' ' VAL . . . . . 0.694 HG13 HD13 ' D' ' 6' ' ' LEU . 32.7 m -119.28 -156.94 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.835 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 3' ' ' ASN . . . . . 0.421 ' H ' HD12 ' G' ' 10' ' ' ILE . 25.7 t30 -142.53 -177.14 5.14 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.842 0.353 . . . . 0.0 111.228 -178.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -43.17 -40.25 3.23 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 124.552 1.141 . . . . 0.0 112.301 179.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 5' ' ' HIS . . . . . 0.509 ' HB2' ' OE2' ' B' ' 21' ' ' GLU . 10.5 t60 -49.05 -47.68 44.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 112.028 -179.394 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 6' ' ' LEU . . . . . 0.703 HD23 ' HB3' ' H' ' 10' ' ' HIS . 47.3 mt -86.53 -24.62 25.44 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.504 -178.761 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 7' ' ' CYS . . . . . . . . . . . . . 41.6 t -68.32 -45.94 71.56 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 177.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 8' ' ' GLY . . . . . 0.549 ' HA3' ' HH ' ' D' ' 26' ' ' TYR . . . -67.86 -20.72 72.73 Favored Glycine 0 N--CA 1.448 -0.523 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.65 179.237 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 9' ' ' SER . . . . . 0.464 ' HB3' ' O ' ' D' ' 6' ' ' LEU . 2.1 t -60.5 -19.23 56.26 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.368 0.604 . . . . 0.0 109.82 178.351 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 10' ' ' HIS . . . . . 0.676 ' HB3' HD23 ' L' ' 6' ' ' LEU . 88.8 m-70 -110.0 -20.52 12.7 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.831 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 11' ' ' LEU . . . . . 1.026 ' HA ' ' H3 ' ' C' ' 22' ' ' IPH . 71.7 mt -66.54 -30.63 70.99 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 178.638 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . 0.648 HG22 HG22 ' B' ' 12' ' ' VAL . 20.8 m -67.48 -33.11 60.28 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.104 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.223 178.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -57.54 -54.21 49.4 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-O 121.36 0.6 . . . . 0.0 110.079 179.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.46 -56.94 14.38 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.998 -1.001 . . . . 0.0 111.752 -179.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 89.7 mt -54.79 -46.62 74.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.722 -179.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 16' ' ' TYR . . . . . 0.567 ' HE2' ' HE2' ' B' ' 26' ' ' TYR . 0.2 OUTLIER -61.69 -53.53 54.83 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.9 -178.833 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . 0.411 ' N ' HD21 ' D' ' 17' ' ' LEU . 4.3 mm? -61.46 -46.9 88.08 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -178.732 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . 0.427 HG23 ' HG ' ' C' ' 13' ' ' LEU . 97.0 t -65.67 -38.82 83.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -179.296 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -77.33 -24.75 50.74 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 122.146 -0.346 . . . . 0.0 111.565 -179.177 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.08 -132.33 11.01 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.223 179.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 21' ' ' GLU . . . . . 0.468 ' OE2' ' HB2' ' B' ' 5' ' ' HIS . 28.0 mm-40 -88.3 50.16 1.92 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.601 0.715 . . . . 0.0 109.75 179.33 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 22' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -125.21 -176.0 3.46 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.278 -0.874 . . . . 0.0 109.44 179.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 23' ' ' GLY . . . . . 0.772 ' HA2' ' HD2' ' B' ' 28' ' ' PRO . . . -113.9 176.11 16.88 Favored Glycine 0 N--CA 1.443 -0.891 0 C-N-CA 120.383 -0.913 . . . . 0.0 112.609 179.637 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 24' ' ' PHE . . . . . 0.697 ' HA ' ' HB2' ' C' ' 21' ' ' ASN . 5.6 p90 -152.22 140.95 20.92 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-O 121.361 0.601 . . . . 0.0 111.077 179.187 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 25' ' ' PHE . . . . . 0.426 ' HA ' ' HA ' ' B' ' 25' ' ' PHE . 11.9 p90 -98.92 100.52 11.71 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 106.927 -1.509 . . . . 0.0 106.927 177.635 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 26' ' ' TYR . . . . . 0.56 ' HE2' ' HE2' ' B' ' 16' ' ' TYR . 11.8 t80 -106.41 103.43 12.89 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.528 -177.402 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 27' ' ' THR . . . . . 0.68 ' HA ' ' HA3' ' B' ' 23' ' ' GLY . 0.4 OUTLIER -114.73 81.88 7.62 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.65 -178.727 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' D' D ' 28' ' ' PRO . . . . . 0.773 ' HD2' ' CA ' ' B' ' 23' ' ' GLY . 55.5 Cg_endo -70.58 82.92 0.88 Allowed 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 122.332 2.021 . . . . 0.0 110.592 178.663 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 56.9 tttp -134.47 149.29 50.71 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.519 -178.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 21.2 m . . . . . 0 C--O 1.252 1.221 0 CA-C-O 117.891 -1.052 . . . . 0.0 108.734 178.829 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.852 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' E' E ' 2' ' ' ILE . . . . . 0.431 HG21 ' N ' ' E' ' 3' ' ' VAL . 13.8 tt -64.45 -37.79 80.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.81 0.305 . . . . 0.0 111.281 -179.053 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 3' ' ' VAL . . . . . 0.571 ' O ' ' HB3' ' E' ' 7' ' ' CYS . 90.1 t -73.31 -44.26 55.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.674 0.75 . . . . 0.0 109.21 178.407 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 4' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -59.86 -29.66 68.45 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 114.806 -1.088 . . . . 0.0 111.635 179.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 5' ' ' GLN . . . . . 0.53 ' NE2' ' HH ' ' E' ' 19' ' ' TYR . 35.6 tt0 -101.72 -46.74 4.84 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 114.011 1.115 . . . . 0.0 114.011 -177.632 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 6' ' ' CYS . . . . . 0.484 ' SG ' HD22 ' E' ' 16' ' ' LEU . 45.5 m -107.96 8.92 28.67 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 115.065 1.505 . . . . 0.0 115.065 -175.561 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 7' ' ' CYS . . . . . 0.776 ' HB2' HD12 ' F' ' 11' ' ' LEU . 8.6 t -111.59 -13.21 13.83 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 121.638 -0.664 . . . . 0.0 110.199 178.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 9.2 t -76.22 -12.73 60.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.697 178.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 9' ' ' SER . . . . . . . . . . . . . 19.4 t 177.0 168.15 0.54 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.158 -1.423 . . . . 0.0 107.158 179.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 10' ' ' ILE . . . . . 0.567 ' N ' HD11 ' E' ' 10' ' ' ILE . 1.6 mp -61.43 121.78 10.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 121.649 0.738 . . . . 0.0 110.548 -179.293 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 11' ' ' CYS . . . . . 0.454 ' HB2' ' HB3' ' E' ' 6' ' ' CYS . 2.9 t -83.13 159.65 22.03 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 114.152 -1.385 . . . . 0.0 110.63 -178.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 12' ' ' SER . . . . . 0.576 ' HB2' ' HB2' ' E' ' 15' ' ' GLN . 6.0 m -70.1 142.27 52.64 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.458 179.601 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 13' ' ' LEU . . . . . 0.43 ' HG ' HG23 ' F' ' 18' ' ' VAL . 10.3 tt -59.93 -46.39 89.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.954 0.407 . . . . 0.0 110.779 -179.62 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -69.94 -25.4 63.64 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.526 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . 0.576 ' HB2' ' HB2' ' E' ' 12' ' ' SER . 5.5 tt0 -72.2 -38.32 69.05 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 178.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 16' ' ' LEU . . . . . 0.484 HD22 ' SG ' ' E' ' 6' ' ' CYS . 77.1 mt -72.84 -25.04 60.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.092 178.693 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 17' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -66.77 -23.86 66.13 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.72 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 18' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -78.83 -4.34 49.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.955 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 19' ' ' TYR . . . . . 0.53 ' HH ' ' NE2' ' E' ' 5' ' ' GLN . 9.0 m-85 -89.49 -97.87 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.443 179.663 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 20' ' ' CYS . . . . . 0.465 ' HB3' ' H ' ' E' ' 21' ' ' ASN . 44.5 m 56.1 -138.23 1.03 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.048 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 21' ' ' ASN . . . . . 0.736 ' HB2' ' HA ' ' F' ' 24' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.163 -0.922 . . . . 0.0 109.238 179.664 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' F' F ' 1' ' ' PHE . . . . . . . . . . . . . 5.4 p90 . . . . . 0 N--CA 1.481 1.11 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' F' F ' 2' ' ' VAL . . . . . 0.716 HG13 HD13 ' F' ' 6' ' ' LEU . 32.8 m -118.53 -156.47 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.709 179.642 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' F' F ' 3' ' ' ASN . . . . . 0.407 ' CG ' ' H ' ' F' ' 4' ' ' GLN . 28.9 t30 -143.52 -177.48 5.41 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 120.821 0.343 . . . . 0.0 111.256 -178.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' F' F ' 4' ' ' GLN . . . . . 0.43 ' CD ' ' HB2' ' F' ' 28' ' ' PRO . 23.8 tt0 -42.74 -40.71 2.91 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 124.488 1.115 . . . . 0.0 112.423 179.296 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' F' F ' 5' ' ' HIS . . . . . 0.474 ' HB2' ' OE2' ' H' ' 21' ' ' GLU . 11.1 t60 -48.89 -47.62 43.01 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -179.414 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' F' F ' 6' ' ' LEU . . . . . 0.716 HD13 HG13 ' F' ' 2' ' ' VAL . 42.9 mt -86.28 -24.69 25.86 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.484 -178.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' F' F ' 7' ' ' CYS . . . . . . . . . . . . . 42.2 t -68.32 -46.01 71.38 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 177.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 8' ' ' GLY . . . . . 0.545 ' HA3' ' HH ' ' F' ' 26' ' ' TYR . . . -67.98 -20.42 72.69 Favored Glycine 0 N--CA 1.447 -0.571 0 CA-C-N 115.361 -0.836 . . . . 0.0 112.619 179.394 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' F' F ' 9' ' ' SER . . . . . 0.462 ' HB3' ' O ' ' F' ' 6' ' ' LEU . 2.0 t -60.88 -19.0 59.48 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.405 0.621 . . . . 0.0 109.684 178.509 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' F' F ' 10' ' ' HIS . . . . . 0.678 ' HB3' HD23 ' J' ' 6' ' ' LEU . 88.8 m-70 -110.09 -20.83 12.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.819 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' F' F ' 11' ' ' LEU . . . . . 0.966 ' HA ' ' H3 ' ' E' ' 22' ' ' IPH . 69.8 mt -66.32 -30.88 71.38 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 178.621 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' F' F ' 12' ' ' VAL . . . . . 0.648 HG22 HG22 ' H' ' 12' ' ' VAL . 21.0 m -67.14 -33.27 62.03 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.081 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.486 178.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' F' F ' 13' ' ' GLU . . . . . . . . . . . . . 74.5 mt-10 -57.47 -54.36 47.72 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 121.305 0.574 . . . . 0.0 110.032 179.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.59 -56.51 19.43 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.892 -1.049 . . . . 0.0 111.678 -179.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 15' ' ' LEU . . . . . . . . . . . . . 92.8 mt -54.89 -46.26 74.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.731 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 16' ' ' TYR . . . . . 0.546 ' HE2' ' HE2' ' H' ' 26' ' ' TYR . 0.2 OUTLIER -62.58 -53.78 49.57 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.976 -178.604 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' F' F ' 17' ' ' LEU . . . . . 0.429 HD11 ' HA ' ' F' ' 17' ' ' LEU . 4.3 mm? -61.09 -46.2 91.62 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -178.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . 0.43 HG23 ' HG ' ' E' ' 13' ' ' LEU . 96.4 t -66.24 -40.35 86.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -179.111 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' F' F ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -75.01 -26.98 59.93 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.673 -179.189 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' F' F ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.32 -131.6 10.62 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.234 179.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 21' ' ' GLU . . . . . 0.459 ' OE2' ' HB2' ' H' ' 5' ' ' HIS . 33.3 mm-40 -88.9 48.19 1.6 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.563 0.697 . . . . 0.0 109.748 179.351 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' F' F ' 22' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -123.71 -177.26 3.68 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.606 179.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 23' ' ' GLY . . . . . 0.775 ' CA ' ' HD2' ' H' ' 28' ' ' PRO . . . -113.64 175.17 16.22 Favored Glycine 0 N--CA 1.442 -0.965 0 C-N-CA 120.367 -0.921 . . . . 0.0 112.54 179.74 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' F' F ' 24' ' ' PHE . . . . . 0.736 ' HA ' ' HB2' ' E' ' 21' ' ' ASN . 5.7 p90 -150.9 141.6 22.72 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.478 0.656 . . . . 0.0 111.116 179.491 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' F' F ' 25' ' ' PHE . . . . . 0.437 ' HA ' ' HA ' ' H' ' 25' ' ' PHE . 11.2 p90 -99.05 100.57 11.74 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 106.839 -1.541 . . . . 0.0 106.839 177.7 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' F' F ' 26' ' ' TYR . . . . . 0.561 ' HE2' ' HE2' ' H' ' 16' ' ' TYR . 12.1 t80 -106.77 103.01 12.35 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.649 -177.256 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' F' F ' 27' ' ' THR . . . . . 0.669 ' HA ' ' HA3' ' H' ' 23' ' ' GLY . 0.3 OUTLIER -114.26 82.05 7.02 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.816 -178.92 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' F' F ' 28' ' ' PRO . . . . . 0.791 ' HD2' ' HA2' ' H' ' 23' ' ' GLY . 55.5 Cg_endo -70.24 82.43 0.85 Allowed 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.268 1.979 . . . . 0.0 110.555 178.536 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' F' F ' 29' ' ' LYS . . . . . . . . . . . . . 56.3 tttp -134.48 147.85 50.45 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.564 -178.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 30' ' ' THR . . . . . . . . . . . . . 18.9 m . . . . . 0 C--O 1.252 1.184 0 CA-C-O 117.64 -1.172 . . . . 0.0 108.5 178.622 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' G' G ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.411 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' G' G ' 2' ' ' ILE . . . . . 0.444 HG21 ' N ' ' G' ' 3' ' ' VAL . 14.2 tt -64.65 -38.8 83.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.881 0.341 . . . . 0.0 110.958 -179.365 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' G' G ' 3' ' ' VAL . . . . . 0.562 ' O ' ' HB3' ' G' ' 7' ' ' CYS . 90.5 t -72.32 -43.87 64.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.923 0.868 . . . . 0.0 109.523 178.737 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' G' G ' 4' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -60.02 -32.29 70.74 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 114.998 -1.001 . . . . 0.0 111.54 179.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 5' ' ' GLN . . . . . 0.558 ' NE2' ' HH ' ' G' ' 19' ' ' TYR . 35.9 tt0 -98.5 -46.54 5.71 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 -177.471 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' G' G ' 6' ' ' CYS . . . . . 0.494 ' SG ' HD22 ' G' ' 16' ' ' LEU . 44.4 m -108.03 8.16 28.15 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 115.129 1.529 . . . . 0.0 115.129 -175.65 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' G' G ' 7' ' ' CYS . . . . . 0.788 ' HB2' HD12 ' H' ' 11' ' ' LEU . 7.6 t -111.1 -12.74 14.13 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 118.67 0.668 . . . . 0.0 110.184 178.694 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' G' G ' 8' ' ' THR . . . . . . . . . . . . . 9.7 t -75.9 -13.83 60.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.352 0.596 . . . . 0.0 109.607 178.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 9' ' ' SER . . . . . . . . . . . . . 14.3 t 178.01 168.77 0.74 Allowed 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 106.977 -1.49 . . . . 0.0 106.977 179.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 10' ' ' ILE . . . . . 0.56 ' N ' HD11 ' G' ' 10' ' ' ILE . 1.6 mp -61.46 122.77 12.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-O 121.736 0.779 . . . . 0.0 110.5 -179.449 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' G' G ' 11' ' ' CYS . . . . . 0.47 ' HB2' ' HB3' ' G' ' 6' ' ' CYS . 2.5 t -83.75 160.97 21.15 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 114.142 -1.39 . . . . 0.0 110.41 -178.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' G' G ' 12' ' ' SER . . . . . 0.565 ' HB2' ' HB2' ' G' ' 15' ' ' GLN . 6.6 m -72.06 140.65 49.08 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.494 179.691 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' G' G ' 13' ' ' LEU . . . . . 0.429 ' HG ' HG23 ' H' ' 18' ' ' VAL . 10.2 tt -57.75 -47.53 82.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.854 -179.534 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -69.86 -23.99 63.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.524 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 15' ' ' GLN . . . . . 0.565 ' HB2' ' HB2' ' G' ' 12' ' ' SER . 5.4 tt0 -73.45 -37.69 65.73 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.995 -0.742 . . . . 0.0 108.995 179.004 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' G' G ' 16' ' ' LEU . . . . . 0.494 HD22 ' SG ' ' G' ' 6' ' ' CYS . 71.2 mt -73.37 -24.65 60.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.012 178.533 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' G' G ' 17' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -67.08 -22.91 65.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.573 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 18' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -81.03 -1.12 42.72 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 121.082 0.468 . . . . 0.0 110.825 179.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 19' ' ' TYR . . . . . 0.558 ' HH ' ' NE2' ' G' ' 5' ' ' GLN . 8.4 m-85 -92.17 -97.77 0.13 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.122 179.353 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' G' G ' 20' ' ' CYS . . . . . 0.436 ' HB3' ' H ' ' G' ' 21' ' ' ASN . 51.7 m 55.81 -138.49 1.03 Allowed 'General case' 0 C--O 1.233 0.188 0 O-C-N 123.203 0.315 . . . . 0.0 111.074 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' G' G ' 21' ' ' ASN . . . . . 0.726 ' HB2' ' HA ' ' H' ' 24' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--O 1.247 0.951 0 CA-C-O 117.964 -1.017 . . . . 0.0 109.012 179.449 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' H' H ' 1' ' ' PHE . . . . . . . . . . . . . 5.3 p90 . . . . . 0 N--CA 1.483 1.212 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' H' H ' 2' ' ' VAL . . . . . 0.764 HG13 HD13 ' H' ' 6' ' ' LEU . 32.7 m -118.5 -157.69 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 C-N-CA 121.257 -0.177 . . . . 0.0 110.604 179.62 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' H' H ' 3' ' ' ASN . . . . . 0.427 ' CG ' ' H ' ' H' ' 4' ' ' GLN . 32.7 t30 -142.67 -176.75 4.99 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 120.843 0.354 . . . . 0.0 111.323 -178.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' H' H ' 4' ' ' GLN . . . . . 0.427 ' H ' ' CG ' ' H' ' 3' ' ' ASN . 24.2 tt0 -42.34 -41.1 2.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 114.632 -1.167 . . . . 0.0 112.53 179.366 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' H' H ' 5' ' ' HIS . . . . . 0.459 ' HB2' ' OE2' ' F' ' 21' ' ' GLU . 10.1 t60 -48.72 -47.94 40.83 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 112.019 0.377 . . . . 0.0 112.019 -179.395 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' H' H ' 6' ' ' LEU . . . . . 0.764 HD13 HG13 ' H' ' 2' ' ' VAL . 39.2 mt -85.86 -24.72 26.58 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.596 -178.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' H' H ' 7' ' ' CYS . . . . . . . . . . . . . 43.0 t -68.54 -45.87 71.04 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 177.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' H' H ' 8' ' ' GLY . . . . . 0.51 ' HA2' ' HG ' ' H' ' 11' ' ' LEU . . . -67.77 -21.22 72.94 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.443 -0.799 . . . . 0.0 112.626 179.423 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' H' H ' 9' ' ' SER . . . . . 0.454 ' HB3' ' O ' ' H' ' 6' ' ' LEU . 2.1 t -60.18 -19.43 54.0 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.401 0.62 . . . . 0.0 109.829 178.47 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' H' H ' 10' ' ' HIS . . . . . 0.703 ' HB3' HD23 ' D' ' 6' ' ' LEU . 88.9 m-70 -109.73 -20.81 12.68 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.843 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' H' H ' 11' ' ' LEU . . . . . 1.017 ' HA ' ' H3 ' ' G' ' 22' ' ' IPH . 69.3 mt -66.47 -30.75 71.16 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 178.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' H' H ' 12' ' ' VAL . . . . . 0.648 HG22 HG22 ' F' ' 12' ' ' VAL . 20.8 m -67.24 -33.53 63.43 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.114 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.261 178.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' H' H ' 13' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -57.18 -54.73 43.52 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-O 121.358 0.599 . . . . 0.0 109.93 179.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' H' H ' 14' ' ' ALA . . . . . 0.4 ' HA ' HD13 ' B' ' 17' ' ' LEU . . . -55.3 -56.8 15.88 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.831 -1.077 . . . . 0.0 111.811 -179.66 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' H' H ' 15' ' ' LEU . . . . . . . . . . . . . 95.6 mt -54.35 -47.24 72.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.066 0.46 . . . . 0.0 111.737 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' H' H ' 16' ' ' TYR . . . . . 0.561 ' HE2' ' HE2' ' F' ' 26' ' ' TYR . 0.2 OUTLIER -61.39 -53.81 51.81 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.038 -178.816 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' H' H ' 17' ' ' LEU . . . . . 0.419 ' HA ' HD11 ' H' ' 17' ' ' LEU . 4.3 mm? -61.25 -45.91 92.57 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -178.817 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . 0.429 HG23 ' HG ' ' G' ' 13' ' ' LEU . 95.0 t -66.78 -38.31 81.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 112.257 0.465 . . . . 0.0 112.257 -179.135 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' H' H ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -77.6 -25.79 50.17 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.93 -0.308 . . . . 0.0 111.453 -178.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' H' H ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.33 -132.69 11.26 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.285 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' H' H ' 21' ' ' GLU . . . . . 0.474 ' OE2' ' HB2' ' F' ' 5' ' ' HIS . 30.1 mm-40 -87.54 46.41 1.38 Allowed 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.546 0.689 . . . . 0.0 110.148 179.543 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' H' H ' 22' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -121.63 -175.93 3.2 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.916 179.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' H' H ' 23' ' ' GLY . . . . . 0.791 ' HA2' ' HD2' ' F' ' 28' ' ' PRO . . . -114.31 175.79 16.49 Favored Glycine 0 N--CA 1.443 -0.835 0 C-N-CA 120.436 -0.888 . . . . 0.0 112.633 179.67 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' H' H ' 24' ' ' PHE . . . . . 0.726 ' HA ' ' HB2' ' G' ' 21' ' ' ASN . 5.6 p90 -151.87 140.77 21.04 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-O 121.255 0.55 . . . . 0.0 111.246 179.304 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' H' H ' 25' ' ' PHE . . . . . 0.437 ' HA ' ' HA ' ' F' ' 25' ' ' PHE . 11.2 p90 -98.42 101.03 12.36 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 106.891 -1.522 . . . . 0.0 106.891 177.542 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' H' H ' 26' ' ' TYR . . . . . 0.546 ' HE2' ' HE2' ' F' ' 16' ' ' TYR . 11.7 t80 -106.84 103.29 12.69 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.446 -177.292 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' H' H ' 27' ' ' THR . . . . . 0.678 ' HA ' ' HA3' ' F' ' 23' ' ' GLY . 0.6 OUTLIER -114.72 82.47 8.13 Favored Pre-proline 0 C--N 1.319 -0.718 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.569 -178.851 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' H' H ' 28' ' ' PRO . . . . . 0.775 ' HD2' ' CA ' ' F' ' 23' ' ' GLY . 51.2 Cg_endo -70.41 83.07 0.83 Allowed 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.314 2.009 . . . . 0.0 110.502 178.527 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' H' H ' 29' ' ' LYS . . . . . . . . . . . . . 56.7 tttp -134.98 148.28 49.95 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.738 -178.31 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' H' H ' 30' ' ' THR . . . . . . . . . . . . . 20.0 m . . . . . 0 C--O 1.253 1.284 0 CA-C-O 117.935 -1.031 . . . . 0.0 108.839 178.96 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' I' I ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.684 0 N-CA-C 111.577 -0.609 . . . . 0.0 111.577 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' I' I ' 2' ' ' ILE . . . . . 0.444 HG21 ' N ' ' I' ' 3' ' ' VAL . 14.1 tt -64.77 -37.52 80.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.61 0.243 . . . . 0.0 111.329 -178.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' I' I ' 3' ' ' VAL . . . . . 0.562 ' O ' ' HB3' ' I' ' 7' ' ' CYS . 93.4 t -74.14 -42.81 51.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.931 0.872 . . . . 0.0 109.192 178.792 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' I' I ' 4' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -61.21 -30.59 70.52 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 114.632 -1.167 . . . . 0.0 111.43 179.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' I' I ' 5' ' ' GLN . . . . . 0.571 ' NE2' ' HH ' ' I' ' 19' ' ' TYR . 35.1 tt0 -100.23 -46.42 5.29 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 114.404 1.261 . . . . 0.0 114.404 -177.568 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' I' I ' 6' ' ' CYS . . . . . 0.502 ' HB3' ' HB2' ' I' ' 11' ' ' CYS . 48.8 m -108.11 7.71 27.76 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 114.87 1.433 . . . . 0.0 114.87 -175.568 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' I' I ' 7' ' ' CYS . . . . . 0.79 ' HB2' HD12 ' J' ' 11' ' ' LEU . 8.5 t -110.61 -13.1 14.27 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 118.695 0.679 . . . . 0.0 110.151 178.609 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' I' I ' 8' ' ' THR . . . . . . . . . . . . . 10.0 t -75.59 -13.59 60.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.32 0.581 . . . . 0.0 109.792 178.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' I' I ' 9' ' ' SER . . . . . . . . . . . . . 22.8 t 178.21 168.96 0.78 Allowed 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 106.953 -1.499 . . . . 0.0 106.953 179.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' I' I ' 10' ' ' ILE . . . . . 0.568 ' N ' HD11 ' I' ' 10' ' ' ILE . 1.6 mp -61.96 122.94 13.77 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.715 0 CA-C-O 121.664 0.745 . . . . 0.0 110.451 -179.453 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' I' I ' 11' ' ' CYS . . . . . 0.502 ' HB2' ' HB3' ' I' ' 6' ' ' CYS . 2.9 t -84.08 159.97 21.03 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 114.269 -1.332 . . . . 0.0 110.576 -178.588 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' I' I ' 12' ' ' SER . . . . . 0.575 ' HB2' ' HB2' ' I' ' 15' ' ' GLN . 3.6 m -69.6 142.32 53.55 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.228 179.517 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' I' I ' 13' ' ' LEU . . . . . 0.437 ' HG ' HG23 ' J' ' 18' ' ' VAL . 10.3 tt -59.77 -47.54 85.27 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.87 0.367 . . . . 0.0 110.537 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -68.93 -25.78 64.74 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.558 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' I' I ' 15' ' ' GLN . . . . . 0.575 ' HB2' ' HB2' ' I' ' 12' ' ' SER . 5.6 tt0 -72.48 -37.41 68.46 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 179.105 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' I' I ' 16' ' ' LEU . . . . . 0.481 HD22 ' SG ' ' I' ' 6' ' ' CYS . 65.5 mt -73.48 -24.51 60.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.06 178.558 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' I' I ' 17' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -67.58 -22.55 65.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.545 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' I' I ' 18' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -81.44 -0.43 41.56 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 121.072 0.463 . . . . 0.0 110.667 179.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' I' I ' 19' ' ' TYR . . . . . 0.571 ' HH ' ' NE2' ' I' ' 5' ' ' GLN . 8.8 m-30 -93.0 -96.95 0.14 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.188 179.407 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' I' I ' 20' ' ' CYS . . . . . . . . . . . . . 51.0 m 55.09 -137.89 1.13 Allowed 'General case' 0 N--CA 1.466 0.355 0 O-C-N 123.236 0.335 . . . . 0.0 111.087 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' I' I ' 21' ' ' ASN . . . . . 0.722 ' HB2' ' HA ' ' J' ' 24' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.044 0 CA-C-O 117.987 -1.006 . . . . 0.0 108.962 179.473 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' J' J ' 1' ' ' PHE . . . . . . . . . . . . . 5.7 p90 . . . . . 0 N--CA 1.48 1.036 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' J' J ' 2' ' ' VAL . . . . . 0.704 HG13 HD13 ' J' ' 6' ' ' LEU . 31.7 m -117.38 -155.23 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.059 179.755 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' J' J ' 3' ' ' ASN . . . . . . . . . . . . . 24.4 t30 -144.34 -177.5 5.5 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.854 0.359 . . . . 0.0 111.069 -178.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' J' J ' 4' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -43.04 -40.99 3.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 114.809 -1.087 . . . . 0.0 112.354 179.293 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' J' J ' 5' ' ' HIS . . . . . 0.469 ' HB2' ' OE2' ' L' ' 21' ' ' GLU . 10.1 t60 -48.32 -48.18 36.32 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -179.476 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' J' J ' 6' ' ' LEU . . . . . 0.704 HD13 HG13 ' J' ' 2' ' ' VAL . 46.6 mt -85.94 -24.28 26.61 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.653 -178.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' J' J ' 7' ' ' CYS . . . . . . . . . . . . . 41.5 t -68.77 -46.06 69.74 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 177.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' J' J ' 8' ' ' GLY . . . . . 0.544 ' HA3' ' HH ' ' J' ' 26' ' ' TYR . . . -67.46 -20.79 72.0 Favored Glycine 0 N--CA 1.449 -0.441 0 CA-C-N 115.332 -0.849 . . . . 0.0 112.593 179.235 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' J' J ' 9' ' ' SER . . . . . 0.463 ' HB3' ' O ' ' J' ' 6' ' ' LEU . 2.0 t -60.51 -19.76 57.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.468 0.652 . . . . 0.0 109.878 178.581 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' J' J ' 10' ' ' HIS . . . . . 0.7 ' HB3' HD23 ' B' ' 6' ' ' LEU . 89.1 m-70 -109.52 -20.61 12.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.814 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' J' J ' 11' ' ' LEU . . . . . 1.054 ' HA ' ' H3 ' ' I' ' 22' ' ' IPH . 72.3 mt -66.65 -30.6 70.9 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 178.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' J' J ' 12' ' ' VAL . . . . . 0.643 HG22 HG22 ' L' ' 12' ' ' VAL . 22.0 m -67.23 -33.37 62.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.475 178.729 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' J' J ' 13' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -57.35 -54.28 48.64 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.401 0.619 . . . . 0.0 110.092 179.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' J' J ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.77 -56.64 18.06 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.994 -1.003 . . . . 0.0 111.762 -179.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' J' J ' 15' ' ' LEU . . . . . . . . . . . . . 93.2 mt -54.64 -46.37 73.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.683 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' J' J ' 16' ' ' TYR . . . . . 0.561 ' HE2' ' HE2' ' L' ' 26' ' ' TYR . 0.2 OUTLIER -62.2 -53.96 47.8 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.003 -178.754 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' J' J ' 17' ' ' LEU . . . . . 0.435 HD21 ' N ' ' J' ' 17' ' ' LEU . 4.4 mm? -61.26 -45.7 93.42 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -178.764 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' J' J ' 18' ' ' VAL . . . . . 0.437 HG23 ' HG ' ' I' ' 13' ' ' LEU . 99.1 t -66.85 -38.79 82.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 -179.239 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' J' J ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -77.12 -26.3 53.07 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.434 -178.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' J' J ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.83 -132.4 11.09 Favored Glycine 0 C--N 1.329 0.147 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.267 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' J' J ' 21' ' ' GLU . . . . . 0.483 ' OE2' ' HB2' ' L' ' 5' ' ' HIS . 27.1 mm-40 -87.82 46.84 1.42 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.415 0.626 . . . . 0.0 109.92 179.517 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' J' J ' 22' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -122.23 -176.17 3.29 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.93 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' J' J ' 23' ' ' GLY . . . . . 0.794 ' HA2' ' HD2' ' L' ' 28' ' ' PRO . . . -114.27 175.1 15.97 Favored Glycine 0 N--CA 1.443 -0.878 0 C-N-CA 120.363 -0.922 . . . . 0.0 112.445 179.727 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' J' J ' 24' ' ' PHE . . . . . 0.722 ' HA ' ' HB2' ' I' ' 21' ' ' ASN . 5.7 p90 -151.2 141.39 22.25 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.488 0.661 . . . . 0.0 111.207 179.328 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' J' J ' 25' ' ' PHE . . . . . 0.421 ' HA ' ' HA ' ' L' ' 25' ' ' PHE . 12.2 p90 -99.25 100.63 11.75 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 106.839 -1.541 . . . . 0.0 106.839 177.665 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' J' J ' 26' ' ' TYR . . . . . 0.556 ' HE2' ' HE2' ' L' ' 16' ' ' TYR . 11.8 t80 -106.55 102.73 12.09 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.57 -177.341 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' J' J ' 27' ' ' THR . . . . . 0.673 ' HA ' ' HA3' ' L' ' 23' ' ' GLY . 0.4 OUTLIER -113.98 82.1 6.62 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.775 -179.17 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' J' J ' 28' ' ' PRO . . . . . 0.785 ' HD2' ' HA2' ' L' ' 23' ' ' GLY . 54.7 Cg_endo -70.41 81.82 0.94 Allowed 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.433 2.089 . . . . 0.0 110.651 178.69 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' J' J ' 29' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -133.66 148.98 51.55 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.546 -178.371 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' J' J ' 30' ' ' THR . . . . . . . . . . . . . 14.8 m . . . . . 0 C--O 1.25 1.116 0 CA-C-O 117.969 -1.015 . . . . 0.0 109.46 179.182 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.821 0 N-CA-C 111.638 -0.585 . . . . 0.0 111.638 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' K' K ' 2' ' ' ILE . . . . . 0.445 HG21 ' N ' ' K' ' 3' ' ' VAL . 13.1 tt -67.18 -37.55 79.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 120.633 0.254 . . . . 0.0 110.816 -179.087 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' K' K ' 3' ' ' VAL . . . . . 0.583 ' O ' ' HB3' ' K' ' 7' ' ' CYS . 86.4 t -73.21 -43.88 56.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.897 0.856 . . . . 0.0 109.229 178.682 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' K' K ' 4' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -59.78 -31.3 69.55 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 114.663 -1.153 . . . . 0.0 111.552 179.348 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' K' K ' 5' ' ' GLN . . . . . 0.54 ' NE2' ' HH ' ' K' ' 19' ' ' TYR . 35.8 tt0 -100.09 -46.07 5.44 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 114.444 1.275 . . . . 0.0 114.444 -177.562 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' K' K ' 6' ' ' CYS . . . . . 0.537 ' HB3' ' HB2' ' K' ' 11' ' ' CYS . 45.0 m -108.52 8.03 27.07 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 115.02 1.489 . . . . 0.0 115.02 -175.651 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' K' K ' 7' ' ' CYS . . . . . 0.802 ' HB2' HD12 ' L' ' 11' ' ' LEU . 8.2 t -111.0 -12.96 14.17 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 118.643 0.656 . . . . 0.0 110.216 178.592 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' K' K ' 8' ' ' THR . . . . . . . . . . . . . 10.3 t -75.85 -13.61 60.28 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.386 0.613 . . . . 0.0 109.618 178.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' K' K ' 9' ' ' SER . . . . . . . . . . . . . 20.8 t 178.77 169.9 0.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.062 -1.458 . . . . 0.0 107.062 179.176 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' K' K ' 10' ' ' ILE . . . . . 0.564 ' N ' HD11 ' K' ' 10' ' ' ILE . 1.6 mp -63.05 121.47 12.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 121.856 0.836 . . . . 0.0 110.532 -179.34 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' K' K ' 11' ' ' CYS . . . . . 0.537 ' HB2' ' HB3' ' K' ' 6' ' ' CYS . 2.9 t -82.1 160.31 23.19 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.488 -1.233 . . . . 0.0 110.654 -178.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' K' K ' 12' ' ' SER . . . . . 0.553 ' HB2' ' HB2' ' K' ' 15' ' ' GLN . 6.1 m -71.29 141.37 50.52 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.27 179.653 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' K' K ' 13' ' ' LEU . . . . . 0.435 ' HG ' HG23 ' L' ' 18' ' ' VAL . 10.3 tt -58.71 -47.03 85.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.766 -179.503 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -69.59 -24.42 63.68 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.584 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' K' K ' 15' ' ' GLN . . . . . 0.553 ' HB2' ' HB2' ' K' ' 12' ' ' SER . 5.5 tt0 -73.53 -37.32 65.65 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 179.1 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' K' K ' 16' ' ' LEU . . . . . 0.481 HD22 ' SG ' ' K' ' 6' ' ' CYS . 71.4 mt -73.44 -25.41 60.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.071 178.669 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' K' K ' 17' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -67.11 -22.51 65.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.632 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' K' K ' 18' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -80.26 -3.53 49.6 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.727 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' K' K ' 19' ' ' TYR . . . . . 0.54 ' HH ' ' NE2' ' K' ' 5' ' ' GLN . 8.6 m-85 -90.2 -96.81 0.11 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.472 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' K' K ' 20' ' ' CYS . . . . . . . . . . . . . 53.4 m 54.84 -137.87 1.14 Allowed 'General case' 0 N--CA 1.463 0.215 0 O-C-N 123.207 0.317 . . . . 0.0 110.853 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' K' K ' 21' ' ' ASN . . . . . 0.716 ' HB2' ' HA ' ' L' ' 24' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--O 1.247 0.93 0 CA-C-O 118.511 -0.757 . . . . 0.0 109.335 179.323 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' L' L ' 1' ' ' PHE . . . . . . . . . . . . . 5.9 p90 . . . . . 0 N--CA 1.48 1.041 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' L' L ' 2' ' ' VAL . . . . . 0.737 HG13 HD13 ' L' ' 6' ' ' LEU . 32.9 m -117.25 -153.84 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.97 -179.814 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' L' L ' 3' ' ' ASN . . . . . 0.409 ' CG ' ' H ' ' L' ' 4' ' ' GLN . 29.6 t30 -145.64 -177.49 5.6 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.872 0.368 . . . . 0.0 111.068 -179.092 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' L' L ' 4' ' ' GLN . . . . . 0.409 ' H ' ' CG ' ' L' ' 3' ' ' ASN . 22.1 tt0 -42.99 -40.6 3.07 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 114.661 -1.154 . . . . 0.0 112.318 179.304 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' L' L ' 5' ' ' HIS . . . . . 0.483 ' HB2' ' OE2' ' J' ' 21' ' ' GLU . 10.3 t60 -48.8 -47.87 41.85 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.041 0.386 . . . . 0.0 112.041 -179.497 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' L' L ' 6' ' ' LEU . . . . . 0.737 HD13 HG13 ' L' ' 2' ' ' VAL . 43.8 mt -86.19 -24.31 26.17 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.562 -178.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' L' L ' 7' ' ' CYS . . . . . . . . . . . . . 41.9 t -68.64 -46.21 69.8 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 177.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' L' L ' 8' ' ' GLY . . . . . 0.518 ' HA3' ' HH ' ' L' ' 26' ' ' TYR . . . -67.51 -20.81 72.12 Favored Glycine 0 N--CA 1.448 -0.536 0 CA-C-N 115.379 -0.828 . . . . 0.0 112.596 179.268 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' L' L ' 9' ' ' SER . . . . . 0.448 ' HB3' ' O ' ' L' ' 6' ' ' LEU . 2.1 t -60.59 -19.27 57.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.326 0.584 . . . . 0.0 109.782 178.487 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' L' L ' 10' ' ' HIS . . . . . 0.685 ' HB3' HD23 ' H' ' 6' ' ' LEU . 89.1 m-70 -110.04 -20.42 12.72 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.76 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' L' L ' 11' ' ' LEU . . . . . 1.028 ' HA ' ' H3 ' ' K' ' 22' ' ' IPH . 73.1 mt -66.29 -30.93 71.45 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 178.657 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' L' L ' 12' ' ' VAL . . . . . 0.643 HG22 HG22 ' J' ' 12' ' ' VAL . 21.9 m -67.22 -33.37 62.47 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.143 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.324 178.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' L' L ' 13' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -57.37 -54.41 47.12 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-O 121.346 0.594 . . . . 0.0 109.957 179.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' L' L ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.7 -56.04 25.12 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.861 -179.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' L' L ' 15' ' ' LEU . . . . . . . . . . . . . 94.0 mt -55.21 -46.34 75.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.701 -179.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' L' L ' 16' ' ' TYR . . . . . 0.556 ' HE2' ' HE2' ' J' ' 26' ' ' TYR . 0.2 OUTLIER -62.23 -53.5 54.34 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.627 -0.715 . . . . 0.0 112.034 -178.791 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' L' L ' 17' ' ' LEU . . . . . 0.43 HD11 ' HE2' ' J' ' 5' ' ' HIS . 4.4 mm? -61.65 -45.79 92.52 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -178.732 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' L' L ' 18' ' ' VAL . . . . . 0.435 HG23 ' HG ' ' K' ' 13' ' ' LEU . 90.4 t -66.6 -38.34 81.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 -179.308 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' L' L ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -78.17 -24.18 47.33 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.787 -0.365 . . . . 0.0 111.465 -178.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' L' L ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.5 -132.66 11.25 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.327 179.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' L' L ' 21' ' ' GLU . . . . . 0.469 ' OE2' ' HB2' ' J' ' 5' ' ' HIS . 27.8 mm-40 -87.72 48.67 1.68 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.489 0.662 . . . . 0.0 109.864 179.594 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' L' L ' 22' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -124.6 -178.18 4.05 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.593 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' L' L ' 23' ' ' GLY . . . . . 0.785 ' HA2' ' HD2' ' J' ' 28' ' ' PRO . . . -112.11 175.11 16.9 Favored Glycine 0 N--CA 1.441 -0.994 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.853 179.591 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' L' L ' 24' ' ' PHE . . . . . 0.716 ' HA ' ' HB2' ' K' ' 21' ' ' ASN . 5.7 p90 -151.34 141.52 22.26 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 121.406 0.622 . . . . 0.0 111.025 179.409 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' L' L ' 25' ' ' PHE . . . . . 0.421 ' HA ' ' HA ' ' J' ' 25' ' ' PHE . 10.7 p90 -99.33 100.75 11.86 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 106.891 -1.522 . . . . 0.0 106.891 177.637 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' L' L ' 26' ' ' TYR . . . . . 0.561 ' HE2' ' HE2' ' J' ' 16' ' ' TYR . 12.1 t80 -106.56 103.04 12.4 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.833 -177.324 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' L' L ' 27' ' ' THR . . . . . 0.636 ' HA ' ' HA3' ' J' ' 23' ' ' GLY . 0.2 OUTLIER -114.2 82.12 6.98 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.632 -178.662 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' L' L ' 28' ' ' PRO . . . . . 0.794 ' HD2' ' HA2' ' J' ' 23' ' ' GLY . 51.7 Cg_endo -70.57 80.62 1.09 Allowed 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.366 2.044 . . . . 0.0 110.773 178.678 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' L' L ' 29' ' ' LYS . . . . . . . . . . . . . 58.6 tttp -131.84 149.91 52.31 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.84 -178.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' L' L ' 30' ' ' THR . . . . . . . . . . . . . 19.9 m . . . . . 0 C--O 1.253 1.269 0 CA-C-O 117.832 -1.08 . . . . 0.0 108.716 178.957 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' IPH . . . . . 0.983 ' H3 ' ' HA ' ' B' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 22' ' ' IPH . . . . . 1.026 ' H3 ' ' HA ' ' D' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 22' ' ' IPH . . . . . 0.966 ' H3 ' ' HA ' ' F' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 22' ' ' IPH . . . . . 1.017 ' H3 ' ' HA ' ' H' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' I' I ' 22' ' ' IPH . . . . . 1.054 ' H3 ' ' HA ' ' J' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' K' K ' 22' ' ' IPH . . . . . 1.028 ' H3 ' ' HA ' ' L' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.599 0 N-CA-C 111.781 -0.528 . . . . 0.0 111.781 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.438 HD11 HG22 ' A' ' 2' ' ' ILE . 14.0 tt -65.15 -33.04 60.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 111.788 0.292 . . . . 0.0 111.788 -178.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.727 HG12 ' HG3' ' B' ' 4' ' ' GLN . 53.8 t -68.05 -56.68 11.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.619 -179.749 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.443 ' O ' HG22 ' A' ' 8' ' ' THR . 96.0 mt-10 -67.65 -15.82 63.84 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -179.561 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -88.05 -35.37 17.57 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.592 -0.443 . . . . 0.0 111.41 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 70.9 m -103.14 -26.85 12.86 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 -178.029 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.9 t -97.45 40.9 1.14 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.287 0.565 . . . . 0.0 111.337 -179.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.443 HG22 ' O ' ' A' ' 4' ' ' GLU . 0.2 OUTLIER -122.09 -48.44 2.11 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 178.251 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.9 m -149.14 17.71 0.96 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.769 178.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.471 HD13 HG22 ' F' ' 2' ' ' VAL . 2.1 mp 70.39 132.87 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.979 179.759 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 44.7 m -82.02 153.84 25.97 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.206 -0.907 . . . . 0.0 111.542 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.9 t -78.68 162.47 26.18 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.643 178.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 39.4 tp -54.82 -40.38 69.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.088 0.471 . . . . 0.0 110.895 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 59.6 m-85 -74.46 -15.67 60.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.838 -0.619 . . . . 0.0 112.412 -179.087 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.441 ' HA ' ' ND2' ' A' ' 18' ' ' ASN . 82.1 mt-30 -85.61 -40.64 16.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.856 0.36 . . . . 0.0 110.755 179.21 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.598 HD21 HD22 ' B' ' 15' ' ' LEU . 60.2 mt -67.05 -33.6 75.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.447 -179.681 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 61.0 tt0 -67.14 -15.18 63.56 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.222 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.441 ' ND2' ' HA ' ' A' ' 15' ' ' GLN . 83.8 m-20 -70.76 -19.26 62.74 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.018 0.437 . . . . 0.0 110.641 179.2 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -101.5 -1.18 33.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.129 0.49 . . . . 0.0 110.308 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 11.1 t -83.6 156.75 22.57 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.805 -179.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.2 m120 . . . . . 0 C--O 1.246 0.906 0 CA-C-O 118.689 -0.672 . . . . 0.0 110.135 179.735 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 3.3 p90 . . . . . 0 N--CA 1.481 1.102 0 CA-C-O 121.742 0.782 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . 0.502 HG22 HD13 ' I' ' 10' ' ' ILE . 6.0 p -123.0 90.87 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-O 121.928 0.87 . . . . 0.0 110.687 -179.571 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -169.43 -57.74 0.02 OUTLIER 'General case' 0 C--O 1.216 -0.666 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.282 -179.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . 0.727 ' HG3' HG12 ' A' ' 3' ' ' VAL . 42.8 tt0 -51.64 -37.97 52.65 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.993 0.425 . . . . 0.0 111.921 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . 0.578 ' CE1' ' HA ' ' D' ' 17' ' ' LEU . 27.2 t60 -83.03 -5.96 59.3 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 -177.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 13.7 mt -118.52 -40.46 2.91 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.572 0.701 . . . . 0.0 110.382 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . 0.417 ' O ' ' HG ' ' B' ' 11' ' ' LEU . 18.3 t -69.22 -40.29 78.06 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.888 -1.051 . . . . 0.0 110.63 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . 0.409 ' HA2' ' CD1' ' B' ' 11' ' ' LEU . . . -52.36 -34.76 41.99 Favored Glycine 0 C--N 1.338 0.641 0 CA-C-N 116.032 -0.531 . . . . 0.0 112.997 179.655 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' SER . . . . . 0.678 ' HB2' ' HG3' ' D' ' 13' ' ' GLU . 0.0 OUTLIER -58.29 -29.27 65.72 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 122.978 0.511 . . . . 0.0 111.894 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -94.57 -21.88 18.56 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 120.951 -0.3 . . . . 0.0 111.004 -179.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.558 HD21 ' H3 ' ' A' ' 22' ' ' IPH . 9.0 mt -70.75 -38.83 73.53 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 177.503 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 1.004 HG22 HG22 ' D' ' 12' ' ' VAL . 14.1 m -73.83 -34.43 40.19 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.788 179.356 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.672 ' HG3' ' HB2' ' D' ' 9' ' ' SER . 32.6 tt0 -61.44 -36.78 81.34 Favored 'General case' 0 C--N 1.34 0.166 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 179.187 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.81 -32.86 57.9 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.703 178.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.598 HD22 HD21 ' A' ' 16' ' ' LEU . 26.9 mt -58.05 -60.8 3.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 112.224 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . 0.914 ' HB3' ' HE2' ' B' ' 24' ' ' PHE . 7.9 p90 -72.26 -9.54 58.61 Favored 'General case' 0 C--N 1.333 -0.121 0 C-N-CA 120.006 -0.678 . . . . 0.0 110.484 -179.473 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.652 HD13 ' H5 ' ' G' ' 22' ' ' IPH . 9.9 tt -73.51 -39.48 64.78 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.234 -1.025 . . . . 0.0 108.234 178.025 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 70.9 t -76.16 -42.97 37.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.699 178.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . 0.69 ' HB3' ' HB2' ' B' ' 22' ' ' ARG . 71.1 m -67.06 -41.13 86.97 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.722 -179.514 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.57 -95.28 0.61 Allowed Glycine 0 CA--C 1.507 -0.413 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.071 -179.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -92.0 -10.76 38.09 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.474 0.654 . . . . 0.0 109.491 179.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . 0.69 ' HB2' ' HB3' ' B' ' 19' ' ' CYS . 71.8 mtp180 -85.26 160.01 19.95 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.697 179.197 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . 0.653 ' HA2' ' HD2' ' D' ' 28' ' ' PRO . . . -108.1 -169.99 21.47 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.677 -0.773 . . . . 0.0 111.32 178.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . 0.914 ' HE2' ' HB3' ' B' ' 16' ' ' TYR . 29.1 p90 -161.36 159.5 28.44 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.169 0.509 . . . . 0.0 111.122 179.563 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 15.3 m-30 -104.06 110.6 22.83 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 178.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -110.18 99.74 8.75 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.243 0.544 . . . . 0.0 111.48 -178.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' THR . . . . . 0.608 ' HA ' ' HA3' ' D' ' 23' ' ' GLY . 5.1 m -119.18 99.26 50.7 Favored Pre-proline 0 C--N 1.315 -0.912 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 177.777 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . 0.652 ' HD2' ' HA2' ' D' ' 23' ' ' GLY . 30.0 Cg_endo -64.55 -114.82 0.0 OUTLIER 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.899 2.399 . . . . 0.0 112.356 -178.158 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.495 ' H ' ' HB2' ' B' ' 28' ' ' PRO . 76.4 tttt 72.83 -39.68 0.45 Allowed 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 122.996 0.518 . . . . 0.0 110.947 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' THR . . . . . 0.441 ' H ' ' C ' ' B' ' 28' ' ' PRO . 45.2 m . . . . . 0 C--O 1.251 1.136 0 CA-C-O 117.994 -1.003 . . . . 0.0 108.834 178.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.816 0 N-CA-C 111.444 -0.663 . . . . 0.0 111.444 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 2' ' ' ILE . . . . . 0.437 HD11 HG22 ' C' ' 2' ' ' ILE . 13.4 tt -68.13 -32.41 55.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.817 0.341 . . . . 0.0 111.376 -179.6 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 3' ' ' VAL . . . . . 0.745 HG12 ' HG3' ' D' ' 4' ' ' GLN . 52.9 t -68.21 -57.14 10.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.586 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 4' ' ' GLU . . . . . 0.466 ' O ' HG22 ' C' ' 8' ' ' THR . 93.5 mt-10 -68.51 -12.85 61.82 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -179.326 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -90.43 -37.25 14.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 122.048 -0.407 . . . . 0.0 111.07 179.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 70.7 m -100.72 -28.38 12.86 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 113.007 0.743 . . . . 0.0 113.007 -178.039 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 7' ' ' CYS . . . . . . . . . . . . . 8.4 t -96.27 41.17 1.11 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.368 0.604 . . . . 0.0 111.44 -179.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 8' ' ' THR . . . . . 0.466 HG22 ' O ' ' C' ' 4' ' ' GLU . 0.5 OUTLIER -122.19 -49.84 2.04 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 177.886 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 73.1 m -147.98 17.97 1.11 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.642 178.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . 0.473 HD13 HG22 ' L' ' 2' ' ' VAL . 2.1 mp 70.45 133.64 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 CA-C-N 115.175 -0.921 . . . . 0.0 111.818 179.613 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 46.4 m -82.87 153.76 24.96 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.45 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 33.1 t -78.36 163.0 26.05 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.507 178.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 39.6 tp -56.22 -38.01 70.46 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.174 0.511 . . . . 0.0 110.949 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -76.73 -14.93 59.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.028 -179.244 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . 0.414 ' HA ' ' ND2' ' C' ' 18' ' ' ASN . 83.2 mt-30 -86.3 -40.11 15.82 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.077 0.465 . . . . 0.0 110.487 179.334 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 16' ' ' LEU . . . . . 0.572 HD21 HD22 ' D' ' 15' ' ' LEU . 59.5 mt -67.41 -33.92 76.17 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.535 -179.696 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 64.3 tt0 -67.44 -14.59 63.07 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.147 -179.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 18' ' ' ASN . . . . . 0.414 ' ND2' ' HA ' ' C' ' 15' ' ' GLN . 82.3 m-20 -71.5 -18.79 62.26 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.89 0.376 . . . . 0.0 110.473 179.317 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -101.29 -1.85 32.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.107 0.479 . . . . 0.0 110.351 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 10.7 t -82.58 158.5 23.05 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.147 -179.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 5.5 m120 . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.773 -0.632 . . . . 0.0 110.172 179.741 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 3.2 p90 . . . . . 0 N--CA 1.482 1.143 0 CA-C-O 121.767 0.794 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 2' ' ' VAL . . . . . 0.477 HG22 HD13 ' G' ' 10' ' ' ILE . 5.9 p -122.68 89.98 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.853 0.835 . . . . 0.0 110.78 -179.404 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 3' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -168.38 -57.93 0.02 OUTLIER 'General case' 0 C--O 1.215 -0.715 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.348 -179.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 4' ' ' GLN . . . . . 0.745 ' HG3' HG12 ' C' ' 3' ' ' VAL . 46.4 tt0 -51.21 -38.89 54.95 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.919 0.39 . . . . 0.0 111.941 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 5' ' ' HIS . . . . . 0.567 ' CE1' ' HA ' ' B' ' 17' ' ' LEU . 26.7 t60 -81.9 -6.43 59.1 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 -177.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 13.2 mt -118.39 -40.59 2.91 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 121.671 0.748 . . . . 0.0 110.473 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 7' ' ' CYS . . . . . 0.424 ' O ' ' HG ' ' D' ' 11' ' ' LEU . 16.2 t -69.18 -39.95 78.39 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 114.802 -1.09 . . . . 0.0 110.693 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 8' ' ' GLY . . . . . 0.419 ' HA2' ' CD1' ' D' ' 11' ' ' LEU . . . -52.78 -34.44 44.6 Favored Glycine 0 C--N 1.334 0.446 0 CA-C-N 115.974 -0.557 . . . . 0.0 112.897 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 9' ' ' SER . . . . . 0.672 ' HB2' ' HG3' ' B' ' 13' ' ' GLU . 0.0 OUTLIER -58.61 -29.16 66.27 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 122.88 0.472 . . . . 0.0 111.887 -179.89 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' D' D ' 10' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -94.64 -21.81 18.56 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.836 -0.346 . . . . 0.0 111.114 -179.496 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 11' ' ' LEU . . . . . 0.567 HD21 ' H3 ' ' C' ' 22' ' ' IPH . 9.1 mt -70.71 -39.05 73.64 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 177.559 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . 1.004 HG22 HG22 ' B' ' 12' ' ' VAL . 15.2 m -73.72 -34.17 40.2 Favored 'Isoleucine or valine' 0 C--O 1.232 0.158 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.802 179.415 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 13' ' ' GLU . . . . . 0.678 ' HG3' ' HB2' ' B' ' 9' ' ' SER . 33.2 tt0 -61.69 -36.49 81.03 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 179.268 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.97 -33.18 57.66 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.582 178.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 15' ' ' LEU . . . . . 0.572 HD22 HD21 ' C' ' 16' ' ' LEU . 25.8 mt -57.75 -60.91 2.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.091 -179.658 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 16' ' ' TYR . . . . . 0.929 ' HB3' ' HE2' ' D' ' 24' ' ' PHE . 8.0 p90 -72.19 -9.55 58.59 Favored 'General case' 0 C--N 1.334 -0.108 0 C-N-CA 120.057 -0.657 . . . . 0.0 110.607 -179.51 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . 0.651 HD13 ' H5 ' ' I' ' 22' ' ' IPH . 9.5 tt -73.36 -40.25 64.53 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.223 -1.028 . . . . 0.0 108.223 177.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 67.2 t -75.55 -42.67 42.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.899 178.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 19' ' ' CYS . . . . . 0.713 ' HB3' ' HB2' ' D' ' 22' ' ' ARG . 71.2 m -67.77 -40.3 84.02 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.293 -0.867 . . . . 0.0 111.679 -179.508 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.17 -96.27 0.61 Allowed Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.901 -0.666 . . . . 0.0 111.866 -179.463 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -89.44 -15.49 33.03 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.453 0.644 . . . . 0.0 109.589 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 22' ' ' ARG . . . . . 0.713 ' HB2' ' HB3' ' D' ' 19' ' ' CYS . 69.8 mtp180 -80.75 161.21 24.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.14 179.415 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 23' ' ' GLY . . . . . 0.652 ' HA2' ' HD2' ' B' ' 28' ' ' PRO . . . -109.65 -170.25 20.27 Favored Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 178.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 24' ' ' PHE . . . . . 0.929 ' HE2' ' HB3' ' D' ' 16' ' ' TYR . 29.8 p90 -160.91 159.26 29.45 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.208 0.527 . . . . 0.0 111.081 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 25' ' ' PHE . . . . . . . . . . . . . 15.5 m-30 -104.16 109.02 20.66 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.717 -0.845 . . . . 0.0 108.717 178.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 26' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -108.73 98.76 8.21 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.143 0.497 . . . . 0.0 111.872 -178.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 27' ' ' THR . . . . . 0.603 ' HA ' ' HA3' ' B' ' 23' ' ' GLY . 5.7 m -118.26 99.9 51.7 Favored Pre-proline 0 C--N 1.312 -1.05 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 177.678 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 28' ' ' PRO . . . . . 0.653 ' HD2' ' HA2' ' B' ' 23' ' ' GLY . 30.1 Cg_endo -65.21 -113.78 0.0 OUTLIER 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 123.003 2.468 . . . . 0.0 112.292 -178.028 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 29' ' ' LYS . . . . . 0.481 ' H ' ' HB2' ' D' ' 28' ' ' PRO . 77.9 tttt 72.17 -39.49 0.45 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.093 0.557 . . . . 0.0 110.911 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 30' ' ' THR . . . . . 0.457 ' H ' ' C ' ' D' ' 28' ' ' PRO . 60.0 m . . . . . 0 C--O 1.25 1.117 0 CA-C-O 117.921 -1.038 . . . . 0.0 108.82 178.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.198 0 N-CA-C 111.821 -0.511 . . . . 0.0 111.821 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' E' E ' 2' ' ' ILE . . . . . 0.432 HD11 HG22 ' E' ' 2' ' ' ILE . 13.9 tt -67.0 -32.57 58.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 -179.353 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 3' ' ' VAL . . . . . 0.774 HG12 ' HG3' ' F' ' 4' ' ' GLN . 55.5 t -68.0 -57.22 10.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.583 -179.655 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 4' ' ' GLU . . . . . 0.43 ' O ' HG22 ' E' ' 8' ' ' THR . 93.5 mt-10 -68.59 -12.63 61.56 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -179.1 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -90.86 -37.18 13.75 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.843 0.354 . . . . 0.0 110.668 179.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 6' ' ' CYS . . . . . . . . . . . . . 71.3 m -101.35 -27.09 13.36 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.18 0.807 . . . . 0.0 113.18 -177.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 7' ' ' CYS . . . . . . . . . . . . . 8.3 t -96.84 40.07 1.15 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.291 0.567 . . . . 0.0 111.214 -179.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 8' ' ' THR . . . . . 0.43 HG22 ' O ' ' E' ' 4' ' ' GLU . 0.2 OUTLIER -120.93 -50.14 2.18 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 178.012 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' E' E ' 9' ' ' SER . . . . . . . . . . . . . 73.7 m -147.68 18.75 1.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.639 178.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 10' ' ' ILE . . . . . 0.496 HD13 HG22 ' J' ' 2' ' ' VAL . 2.1 mp 70.37 134.83 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 CA-C-N 115.223 -0.899 . . . . 0.0 111.792 179.788 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 11' ' ' CYS . . . . . . . . . . . . . 38.2 m -83.95 155.35 22.87 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.355 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 12' ' ' SER . . . . . . . . . . . . . 30.6 t -79.87 162.4 25.05 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.621 178.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 40.2 tp -55.91 -37.39 68.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.194 0.521 . . . . 0.0 111.042 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -77.92 -14.04 59.68 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.76 -0.655 . . . . 0.0 112.216 -179.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . 0.431 ' HA ' ' ND2' ' E' ' 18' ' ' ASN . 83.3 mt-30 -87.01 -40.65 14.54 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.075 0.464 . . . . 0.0 110.224 179.337 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 16' ' ' LEU . . . . . 0.604 HD21 HD22 ' F' ' 15' ' ' LEU . 59.8 mt -66.38 -33.83 76.59 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.625 -179.735 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 17' ' ' GLU . . . . . . . . . . . . . 62.1 tt0 -67.05 -16.41 64.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.82 0.343 . . . . 0.0 111.09 -179.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 18' ' ' ASN . . . . . 0.431 ' ND2' ' HA ' ' E' ' 15' ' ' GLN . 83.0 m-20 -68.94 -20.83 64.22 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.789 0.328 . . . . 0.0 110.491 179.02 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 19' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -99.93 -1.43 37.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.073 0.463 . . . . 0.0 110.739 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 20' ' ' CYS . . . . . . . . . . . . . 11.2 t -83.82 157.19 22.13 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.062 -179.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 21' ' ' ASN . . . . . . . . . . . . . 5.3 m120 . . . . . 0 C--O 1.246 0.87 0 CA-C-O 118.8 -0.619 . . . . 0.0 109.932 179.627 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' F' F ' 1' ' ' PHE . . . . . . . . . . . . . 3.9 p90 . . . . . 0 N--CA 1.48 1.065 0 CA-C-O 121.751 0.786 . . . . 0.0 110.816 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' F' F ' 2' ' ' VAL . . . . . 0.471 HG22 HD13 ' A' ' 10' ' ' ILE . 5.5 p -125.96 87.61 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 121.81 0.814 . . . . 0.0 110.744 -179.472 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' F' F ' 3' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -166.46 -57.39 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.203 -179.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 4' ' ' GLN . . . . . 0.774 ' HG3' HG12 ' E' ' 3' ' ' VAL . 43.8 tt0 -51.47 -37.67 50.07 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' F' F ' 5' ' ' HIS . . . . . 0.569 ' CE1' ' HA ' ' H' ' 17' ' ' LEU . 26.9 t60 -82.86 -6.67 59.55 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 113.239 0.829 . . . . 0.0 113.239 -177.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' F' F ' 6' ' ' LEU . . . . . . . . . . . . . 13.9 mt -117.97 -41.22 2.91 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 121.703 0.763 . . . . 0.0 110.426 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 7' ' ' CYS . . . . . . . . . . . . . 15.9 t -68.51 -40.6 80.78 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.773 -1.103 . . . . 0.0 110.508 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 8' ' ' GLY . . . . . 0.405 ' HA2' ' CD1' ' F' ' 11' ' ' LEU . . . -52.13 -34.86 40.42 Favored Glycine 0 C--N 1.337 0.635 0 CA-C-N 116.023 -0.535 . . . . 0.0 113.099 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' F' F ' 9' ' ' SER . . . . . 0.662 ' HB2' ' HG3' ' H' ' 13' ' ' GLU . 0.0 OUTLIER -58.33 -28.93 65.53 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 122.838 0.455 . . . . 0.0 111.996 -179.755 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' F' F ' 10' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -94.74 -21.85 18.48 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.953 -179.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 11' ' ' LEU . . . . . 0.568 HD21 ' H3 ' ' E' ' 22' ' ' IPH . 9.0 mt -70.78 -39.13 73.35 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 177.534 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' F' F ' 12' ' ' VAL . . . . . 1.041 HG22 HG22 ' H' ' 12' ' ' VAL . 14.4 m -73.68 -34.34 40.98 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.786 179.388 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' F' F ' 13' ' ' GLU . . . . . 0.65 ' HG3' ' HB2' ' H' ' 9' ' ' SER . 32.6 tt0 -61.35 -36.88 81.42 Favored 'General case' 0 N--CA 1.462 0.159 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 179.252 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' F' F ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.92 -32.76 57.6 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.488 178.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 15' ' ' LEU . . . . . 0.604 HD22 HD21 ' E' ' 16' ' ' LEU . 26.3 mt -58.06 -60.7 3.33 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' F' F ' 16' ' ' TYR . . . . . 0.924 ' HB3' ' HE2' ' F' ' 24' ' ' PHE . 8.0 p90 -72.46 -9.34 58.41 Favored 'General case' 0 N--CA 1.463 0.198 0 C-N-CA 119.94 -0.704 . . . . 0.0 110.389 -179.48 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' F' F ' 17' ' ' LEU . . . . . 0.66 HD13 ' H5 ' ' K' ' 22' ' ' IPH . 9.4 tt -73.58 -40.85 63.59 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 177.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 76.7 t -74.51 -42.94 49.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.869 178.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 19' ' ' CYS . . . . . 0.714 ' HB3' ' HB2' ' F' ' 22' ' ' ARG . 71.3 m -67.57 -41.55 83.98 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.199 -0.91 . . . . 0.0 111.71 -179.522 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' F' F ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.24 -97.18 0.75 Allowed Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.847 -0.692 . . . . 0.0 111.817 -179.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 21' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -89.04 -14.44 36.41 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.46 0.648 . . . . 0.0 109.56 179.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 22' ' ' ARG . . . . . 0.714 ' HB2' ' HB3' ' F' ' 19' ' ' CYS . 71.5 mtp180 -81.4 160.53 24.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.122 179.272 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' F' F ' 23' ' ' GLY . . . . . 0.668 ' HA2' ' HD2' ' H' ' 28' ' ' PRO . . . -109.23 -170.47 20.61 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.588 -0.815 . . . . 0.0 111.53 179.064 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' F' F ' 24' ' ' PHE . . . . . 0.924 ' HE2' ' HB3' ' F' ' 16' ' ' TYR . 29.7 p90 -160.87 159.41 29.74 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 117.307 0.554 . . . . 0.0 111.247 179.628 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' F' F ' 25' ' ' PHE . . . . . . . . . . . . . 15.5 m-30 -104.49 107.73 18.81 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 179.062 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 26' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -107.55 99.67 9.15 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.265 0.555 . . . . 0.0 111.971 -178.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 27' ' ' THR . . . . . 0.591 ' HA ' ' HA3' ' H' ' 23' ' ' GLY . 4.5 m -118.73 99.3 51.3 Favored Pre-proline 0 C--N 1.315 -0.899 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 177.698 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' F' F ' 28' ' ' PRO . . . . . 0.66 ' HD2' ' HA2' ' H' ' 23' ' ' GLY . 32.1 Cg_endo -64.59 -113.79 0.0 OUTLIER 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.833 2.355 . . . . 0.0 112.638 -178.35 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' F' F ' 29' ' ' LYS . . . . . 0.449 ' H ' ' HB2' ' F' ' 28' ' ' PRO . 76.8 tttt 72.25 -41.04 0.49 Allowed 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 123.175 0.59 . . . . 0.0 110.861 -179.722 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' F' F ' 30' ' ' THR . . . . . 0.462 ' H ' ' C ' ' F' ' 28' ' ' PRO . 41.0 m . . . . . 0 C--O 1.253 1.273 0 CA-C-O 117.846 -1.073 . . . . 0.0 108.456 178.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.106 0 N-CA-C 111.589 -0.604 . . . . 0.0 111.589 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' G' G ' 2' ' ' ILE . . . . . . . . . . . . . 13.5 tt -66.48 -32.26 57.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 -179.197 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 3' ' ' VAL . . . . . 0.761 HG12 ' HG3' ' H' ' 4' ' ' GLN . 56.6 t -68.63 -56.25 13.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 C-N-CA 121.166 -0.214 . . . . 0.0 111.522 -179.698 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' G' G ' 4' ' ' GLU . . . . . 0.418 ' O ' HG22 ' G' ' 8' ' ' THR . 96.5 mt-10 -69.06 -13.27 62.35 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -179.402 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' G' G ' 5' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -90.1 -37.9 13.92 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.901 179.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 6' ' ' CYS . . . . . . . . . . . . . 71.3 m -100.31 -27.47 13.46 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 -177.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 7' ' ' CYS . . . . . . . . . . . . . 8.6 t -96.71 40.59 1.13 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.337 0.589 . . . . 0.0 111.186 -179.348 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 8' ' ' THR . . . . . 0.418 HG22 ' O ' ' G' ' 4' ' ' GLU . 0.2 OUTLIER -121.72 -50.04 2.09 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 178.161 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' G' G ' 9' ' ' SER . . . . . . . . . . . . . 57.9 m -146.95 16.67 1.22 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.754 178.354 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 10' ' ' ILE . . . . . 0.477 HD13 HG22 ' D' ' 2' ' ' VAL . 2.1 mp 71.67 131.83 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.25 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.795 179.791 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' G' G ' 11' ' ' CYS . . . . . . . . . . . . . 48.2 m -80.5 153.97 27.83 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.64 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 12' ' ' SER . . . . . . . . . . . . . 40.7 t -78.72 162.86 25.87 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.485 178.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 13' ' ' LEU . . . . . . . . . . . . . 40.1 tp -56.16 -38.82 71.41 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.093 0.473 . . . . 0.0 110.865 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -75.92 -14.38 60.25 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.166 -179.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 15' ' ' GLN . . . . . 0.433 ' HA ' ' ND2' ' G' ' 18' ' ' ASN . 83.3 mt-30 -86.87 -40.49 14.84 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.997 0.427 . . . . 0.0 110.49 179.343 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' G' G ' 16' ' ' LEU . . . . . 0.64 HD21 HD22 ' H' ' 15' ' ' LEU . 56.1 mt -66.94 -33.69 76.14 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.504 -179.623 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' G' G ' 17' ' ' GLU . . . . . . . . . . . . . 65.2 tt0 -67.05 -16.21 64.2 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.198 -179.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 18' ' ' ASN . . . . . 0.433 ' ND2' ' HA ' ' G' ' 15' ' ' GLN . 82.4 m-20 -69.4 -20.48 63.81 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.772 0.32 . . . . 0.0 110.626 179.212 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' G' G ' 19' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -100.12 -1.54 36.47 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.486 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 20' ' ' CYS . . . . . . . . . . . . . 11.3 t -83.92 156.64 22.26 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.017 -179.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 21' ' ' ASN . . . . . . . . . . . . . 6.1 m120 . . . . . 0 C--O 1.246 0.911 0 CA-C-O 118.702 -0.666 . . . . 0.0 110.112 179.76 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' H' H ' 1' ' ' PHE . . . . . . . . . . . . . 3.5 p90 . . . . . 0 N--CA 1.48 1.049 0 CA-C-O 121.786 0.803 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' H' H ' 2' ' ' VAL . . . . . 0.464 HG22 HD13 ' K' ' 10' ' ' ILE . 5.7 p -123.18 90.19 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.723 0.773 . . . . 0.0 110.607 -179.632 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' H' H ' 3' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -168.76 -58.11 0.02 OUTLIER 'General case' 0 C--O 1.217 -0.622 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.145 -179.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' H' H ' 4' ' ' GLN . . . . . 0.761 ' HG3' HG12 ' G' ' 3' ' ' VAL . 43.8 tt0 -51.22 -37.71 48.44 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' H' H ' 5' ' ' HIS . . . . . 0.578 ' CE1' ' HA ' ' F' ' 17' ' ' LEU . 27.5 t60 -83.11 -6.3 59.43 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 -177.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' H' H ' 6' ' ' LEU . . . . . . . . . . . . . 13.2 mt -118.33 -40.85 2.89 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 121.591 0.71 . . . . 0.0 110.389 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' H' H ' 7' ' ' CYS . . . . . 0.408 ' O ' ' HG ' ' H' ' 11' ' ' LEU . 16.3 t -68.92 -40.27 79.18 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 114.81 -1.086 . . . . 0.0 110.621 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' H' H ' 8' ' ' GLY . . . . . . . . . . . . . . . -52.65 -34.0 42.77 Favored Glycine 0 C--N 1.337 0.591 0 CA-C-N 116.012 -0.54 . . . . 0.0 113.094 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' H' H ' 9' ' ' SER . . . . . 0.65 ' HB2' ' HG3' ' F' ' 13' ' ' GLU . 0.0 OUTLIER -58.66 -28.99 66.24 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 122.884 0.474 . . . . 0.0 111.837 -179.912 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' H' H ' 10' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -95.01 -21.81 18.35 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.885 -179.476 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' H' H ' 11' ' ' LEU . . . . . 0.541 HD21 ' H3 ' ' G' ' 22' ' ' IPH . 9.0 mt -70.63 -39.07 73.93 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 107.537 -1.283 . . . . 0.0 107.537 177.433 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' H' H ' 12' ' ' VAL . . . . . 1.041 HG22 HG22 ' F' ' 12' ' ' VAL . 14.9 m -73.72 -34.0 39.74 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.921 179.399 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' H' H ' 13' ' ' GLU . . . . . 0.662 ' HG3' ' HB2' ' F' ' 9' ' ' SER . 33.4 tt0 -61.86 -36.65 81.87 Favored 'General case' 0 C--N 1.34 0.196 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 179.248 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' H' H ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.89 -32.74 57.65 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.602 178.105 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' H' H ' 15' ' ' LEU . . . . . 0.64 HD22 HD21 ' G' ' 16' ' ' LEU . 25.0 mt -58.19 -60.56 3.57 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -179.671 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' H' H ' 16' ' ' TYR . . . . . 0.937 ' HB3' ' HE2' ' H' ' 24' ' ' PHE . 8.2 p90 -72.52 -9.5 58.63 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.03 -0.668 . . . . 0.0 110.511 -179.488 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' H' H ' 17' ' ' LEU . . . . . 0.659 HD13 ' H5 ' ' A' ' 22' ' ' IPH . 9.7 tt -73.42 -39.82 64.74 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 177.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 66.9 t -76.08 -43.25 38.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.364 -0.834 . . . . 0.0 109.665 178.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' H' H ' 19' ' ' CYS . . . . . 0.692 ' HB3' ' HB2' ' H' ' 22' ' ' ARG . 71.0 m -66.19 -42.25 89.09 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.441 -0.799 . . . . 0.0 111.475 -179.684 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' H' H ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.93 -96.12 0.76 Allowed Glycine 0 CA--C 1.505 -0.572 0 C-N-CA 120.769 -0.729 . . . . 0.0 111.924 -179.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' H' H ' 21' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -90.31 -14.52 33.03 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-O 121.414 0.626 . . . . 0.0 109.505 179.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' H' H ' 22' ' ' ARG . . . . . 0.692 ' HB2' ' HB3' ' H' ' 19' ' ' CYS . 70.0 mtp180 -81.62 161.42 23.48 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.228 -0.897 . . . . 0.0 110.003 179.504 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' H' H ' 23' ' ' GLY . . . . . 0.66 ' HA2' ' HD2' ' F' ' 28' ' ' PRO . . . -109.75 -170.3 20.2 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.665 -0.779 . . . . 0.0 111.298 178.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' H' H ' 24' ' ' PHE . . . . . 0.937 ' HE2' ' HB3' ' H' ' 16' ' ' TYR . 29.6 p90 -161.02 158.88 28.63 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 117.367 0.583 . . . . 0.0 111.39 179.738 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' H' H ' 25' ' ' PHE . . . . . . . . . . . . . 15.5 m-30 -103.68 109.62 21.39 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 178.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' H' H ' 26' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -109.38 98.72 8.08 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.051 0.453 . . . . 0.0 111.814 -178.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' H' H ' 27' ' ' THR . . . . . 0.613 ' HA ' ' HA3' ' F' ' 23' ' ' GLY . 6.2 m -118.04 99.46 51.94 Favored Pre-proline 0 C--N 1.315 -0.928 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 177.813 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' H' H ' 28' ' ' PRO . . . . . 0.668 ' HD2' ' HA2' ' F' ' 23' ' ' GLY . 29.4 Cg_endo -64.06 -113.62 0.0 OUTLIER 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 123.065 2.51 . . . . 0.0 112.726 -178.241 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' H' H ' 29' ' ' LYS . . . . . 0.495 ' H ' ' HB2' ' H' ' 28' ' ' PRO . 75.4 tttt 71.98 -42.71 0.54 Allowed 'General case' 0 N--CA 1.467 0.375 0 C-N-CA 123.019 0.528 . . . . 0.0 110.761 -179.683 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' H' H ' 30' ' ' THR . . . . . 0.418 ' H ' ' C ' ' H' ' 28' ' ' PRO . 59.8 m . . . . . 0 C--O 1.251 1.179 0 CA-C-O 117.915 -1.04 . . . . 0.0 108.787 178.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.571 0 N-CA-C 111.447 -0.661 . . . . 0.0 111.447 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' I' I ' 2' ' ' ILE . . . . . 0.448 HD11 HG22 ' I' ' 2' ' ' ILE . 13.4 tt -67.35 -32.49 57.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 116.795 0.297 . . . . 0.0 111.8 -178.789 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' I' I ' 3' ' ' VAL . . . . . 0.731 HG12 ' HG3' ' J' ' 4' ' ' GLN . 54.8 t -68.05 -57.49 9.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.64 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' I' I ' 4' ' ' GLU . . . . . 0.444 ' O ' HG22 ' I' ' 8' ' ' THR . 93.0 mt-10 -68.42 -13.72 62.49 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -179.313 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' I' I ' 5' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -89.14 -38.03 14.62 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.944 179.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 6' ' ' CYS . . . . . . . . . . . . . 71.6 m -100.82 -26.65 13.69 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.404 0.89 . . . . 0.0 113.404 -177.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 7' ' ' CYS . . . . . . . . . . . . . 8.5 t -97.17 40.26 1.15 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.465 0.65 . . . . 0.0 111.261 -179.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 8' ' ' THR . . . . . 0.444 HG22 ' O ' ' I' ' 4' ' ' GLU . 0.2 OUTLIER -121.45 -48.68 2.18 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.327 178.312 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' I' I ' 9' ' ' SER . . . . . . . . . . . . . 74.8 m -148.34 15.86 1.02 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.627 178.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 10' ' ' ILE . . . . . 0.502 HD13 HG22 ' B' ' 2' ' ' VAL . 2.1 mp 72.12 132.51 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.828 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' I' I ' 11' ' ' CYS . . . . . . . . . . . . . 38.9 m -81.14 155.15 26.37 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.558 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 12' ' ' SER . . . . . . . . . . . . . 43.7 t -79.6 163.29 24.73 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.49 178.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 13' ' ' LEU . . . . . . . . . . . . . 38.3 tp -56.43 -38.46 71.62 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.137 0.494 . . . . 0.0 110.96 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -75.64 -17.39 60.01 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.838 -0.619 . . . . 0.0 112.058 -179.358 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 15' ' ' GLN . . . . . 0.417 ' HA ' ' ND2' ' I' ' 18' ' ' ASN . 85.2 mt-30 -83.54 -41.08 18.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.89 0.376 . . . . 0.0 110.684 179.198 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' I' I ' 16' ' ' LEU . . . . . 0.591 HD21 HD22 ' J' ' 15' ' ' LEU . 55.6 mt -66.34 -34.07 77.14 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.601 -179.485 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' I' I ' 17' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -66.81 -15.72 63.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.185 -179.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 18' ' ' ASN . . . . . 0.417 ' ND2' ' HA ' ' I' ' 15' ' ' GLN . 83.6 m-20 -70.16 -18.97 63.22 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.838 0.352 . . . . 0.0 110.698 179.278 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' I' I ' 19' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -101.36 -2.59 30.59 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.239 0.543 . . . . 0.0 110.178 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 20' ' ' CYS . . . . . . . . . . . . . 11.3 t -82.77 155.18 24.38 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.112 -179.233 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 21' ' ' ASN . . . . . . . . . . . . . 5.0 m120 . . . . . 0 C--O 1.246 0.879 0 CA-C-O 118.427 -0.797 . . . . 0.0 110.59 179.798 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' J' J ' 1' ' ' PHE . . . . . . . . . . . . . 3.8 p90 . . . . . 0 N--CA 1.483 1.181 0 CA-C-O 121.681 0.753 . . . . 0.0 111.256 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' J' J ' 2' ' ' VAL . . . . . 0.496 HG22 HD13 ' E' ' 10' ' ' ILE . 5.6 p -124.94 88.38 1.27 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 CA-C-O 121.945 0.879 . . . . 0.0 111.069 -179.758 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' J' J ' 3' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -167.09 -57.44 0.03 OUTLIER 'General case' 0 C--O 1.215 -0.728 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.267 -179.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' J' J ' 4' ' ' GLN . . . . . 0.731 ' HG3' HG12 ' I' ' 3' ' ' VAL . 43.7 tt0 -51.89 -36.61 49.33 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.942 0.401 . . . . 0.0 112.009 -179.633 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' J' J ' 5' ' ' HIS . . . . . 0.567 ' CE1' ' HA ' ' L' ' 17' ' ' LEU . 27.4 t60 -84.13 -5.65 59.28 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 -178.034 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' J' J ' 6' ' ' LEU . . . . . . . . . . . . . 13.5 mt -118.56 -42.05 2.78 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.703 0.763 . . . . 0.0 110.356 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' J' J ' 7' ' ' CYS . . . . . 0.411 ' O ' ' HG ' ' J' ' 11' ' ' LEU . 15.6 t -67.95 -40.24 83.27 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.753 -1.112 . . . . 0.0 110.689 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' J' J ' 8' ' ' GLY . . . . . 0.403 ' HA2' ' CD1' ' J' ' 11' ' ' LEU . . . -52.53 -34.71 43.27 Favored Glycine 0 C--N 1.336 0.545 0 CA-C-N 115.946 -0.57 . . . . 0.0 113.001 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' J' J ' 9' ' ' SER . . . . . 0.652 ' HB2' ' HG3' ' L' ' 13' ' ' GLU . 0.0 OUTLIER -58.3 -29.37 65.81 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 122.895 0.478 . . . . 0.0 111.852 179.922 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' J' J ' 10' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -94.41 -21.96 18.6 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.666 -0.414 . . . . 0.0 111.013 -179.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' J' J ' 11' ' ' LEU . . . . . 0.557 HD21 ' H3 ' ' I' ' 22' ' ' IPH . 9.2 mt -70.47 -39.26 74.34 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 177.509 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' J' J ' 12' ' ' VAL . . . . . 0.972 HG22 HG22 ' L' ' 12' ' ' VAL . 14.4 m -73.75 -33.73 38.75 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.12 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.775 179.468 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' J' J ' 13' ' ' GLU . . . . . 0.654 ' HG3' ' HB2' ' L' ' 9' ' ' SER . 33.0 tt0 -61.99 -36.97 83.1 Favored 'General case' 0 C--N 1.34 0.166 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 179.119 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' J' J ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.56 -32.8 58.41 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.705 178.24 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' J' J ' 15' ' ' LEU . . . . . 0.591 HD22 HD21 ' I' ' 16' ' ' LEU . 25.9 mt -58.21 -60.59 3.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.973 -179.717 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' J' J ' 16' ' ' TYR . . . . . 0.92 ' HB3' ' HE2' ' J' ' 24' ' ' PHE . 7.8 p90 -72.48 -9.08 58.11 Favored 'General case' 0 N--CA 1.462 0.149 0 C-N-CA 119.903 -0.719 . . . . 0.0 110.539 -179.522 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' J' J ' 17' ' ' LEU . . . . . 0.634 HD13 ' H5 ' ' C' ' 22' ' ' IPH . 9.7 tt -73.73 -39.91 63.94 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 177.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 67.6 t -75.71 -43.67 40.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.177 -0.92 . . . . 0.0 109.799 178.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' J' J ' 19' ' ' CYS . . . . . 0.681 ' HB3' ' HB2' ' J' ' 22' ' ' ARG . 71.9 m -66.57 -40.5 89.0 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.911 -179.6 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' J' J ' 20' ' ' GLY . . . . . . . . . . . . . . . 70.96 -97.12 0.63 Allowed Glycine 0 CA--C 1.508 -0.401 0 C-N-CA 120.862 -0.685 . . . . 0.0 111.83 -179.479 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' J' J ' 21' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -89.1 -13.93 37.42 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 121.438 0.637 . . . . 0.0 109.629 179.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' J' J ' 22' ' ' ARG . . . . . 0.681 ' HB2' ' HB3' ' J' ' 19' ' ' CYS . 71.4 mtp180 -82.19 160.73 22.97 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.97 179.4 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' J' J ' 23' ' ' GLY . . . . . 0.657 ' HA2' ' HD2' ' L' ' 28' ' ' PRO . . . -109.01 -170.84 20.81 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.739 -0.743 . . . . 0.0 111.257 179.027 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' J' J ' 24' ' ' PHE . . . . . 0.92 ' HE2' ' HB3' ' J' ' 16' ' ' TYR . 29.3 p90 -160.65 159.54 30.49 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 117.287 0.543 . . . . 0.0 111.118 179.681 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' J' J ' 25' ' ' PHE . . . . . . . . . . . . . 15.3 m-30 -104.09 110.74 23.03 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 178.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' J' J ' 26' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -110.28 98.85 8.0 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.11 0.481 . . . . 0.0 111.721 -178.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' J' J ' 27' ' ' THR . . . . . 0.597 ' HA ' ' HA3' ' L' ' 23' ' ' GLY . 5.6 m -118.31 99.44 51.68 Favored Pre-proline 0 C--N 1.315 -0.918 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 177.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' J' J ' 28' ' ' PRO . . . . . 0.67 ' HD2' ' HA2' ' L' ' 23' ' ' GLY . 30.0 Cg_endo -64.52 -114.14 0.0 OUTLIER 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.938 2.425 . . . . 0.0 112.549 -178.403 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' J' J ' 29' ' ' LYS . . . . . 0.453 ' H ' ' HB2' ' J' ' 28' ' ' PRO . 76.2 tttt 72.14 -42.17 0.53 Allowed 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 122.989 0.516 . . . . 0.0 110.845 -179.549 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' J' J ' 30' ' ' THR . . . . . 0.441 ' H ' ' C ' ' J' ' 28' ' ' PRO . 29.7 m . . . . . 0 C--O 1.251 1.182 0 CA-C-O 117.95 -1.024 . . . . 0.0 108.792 178.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.573 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' K' K ' 2' ' ' ILE . . . . . 0.407 HD11 HG22 ' K' ' 2' ' ' ILE . 14.2 tt -66.74 -32.4 57.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 111.714 0.264 . . . . 0.0 111.714 -179.492 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' K' K ' 3' ' ' VAL . . . . . 0.747 HG12 ' HG3' ' L' ' 4' ' ' GLN . 52.5 t -68.38 -56.65 11.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 C-N-CA 120.999 -0.28 . . . . 0.0 111.634 -179.778 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' K' K ' 4' ' ' GLU . . . . . 0.443 ' O ' HG22 ' K' ' 8' ' ' THR . 93.6 mt-10 -68.99 -12.45 61.69 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -179.323 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' K' K ' 5' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -90.32 -38.66 13.22 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.929 0.395 . . . . 0.0 110.797 179.555 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' K' K ' 6' ' ' CYS . . . . . . . . . . . . . 71.2 m -99.57 -28.46 13.2 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 113.38 0.882 . . . . 0.0 113.38 -178.111 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' K' K ' 7' ' ' CYS . . . . . . . . . . . . . 8.4 t -95.95 40.24 1.12 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.382 0.61 . . . . 0.0 111.395 -179.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' K' K ' 8' ' ' THR . . . . . 0.443 HG22 ' O ' ' K' ' 4' ' ' GLU . 0.3 OUTLIER -121.54 -49.65 2.13 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 178.083 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' K' K ' 9' ' ' SER . . . . . . . . . . . . . 75.1 m -147.61 17.33 1.15 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.734 178.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' K' K ' 10' ' ' ILE . . . . . 0.464 HD13 HG22 ' H' ' 2' ' ' VAL . 2.0 mp 71.08 132.89 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 CA-C-N 115.07 -0.968 . . . . 0.0 111.776 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' K' K ' 11' ' ' CYS . . . . . . . . . . . . . 41.2 m -81.73 154.37 26.06 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.551 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' K' K ' 12' ' ' SER . . . . . . . . . . . . . 34.8 t -79.48 161.98 25.72 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.56 178.505 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' K' K ' 13' ' ' LEU . . . . . . . . . . . . . 42.1 tp -55.41 -37.64 67.88 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.099 0.476 . . . . 0.0 111.135 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -76.74 -16.8 59.39 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.856 -179.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' K' K ' 15' ' ' GLN . . . . . 0.402 ' HA ' ' ND2' ' K' ' 18' ' ' ASN . 83.7 mt-30 -84.25 -41.21 17.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.993 0.425 . . . . 0.0 110.502 179.397 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' K' K ' 16' ' ' LEU . . . . . 0.621 HD21 HD22 ' L' ' 15' ' ' LEU . 59.4 mt -66.16 -34.16 77.42 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.722 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' K' K ' 17' ' ' GLU . . . . . . . . . . . . . 63.0 tt0 -67.39 -15.78 63.87 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.949 -0.3 . . . . 0.0 111.158 -179.305 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' K' K ' 18' ' ' ASN . . . . . 0.402 ' ND2' ' HA ' ' K' ' 15' ' ' GLN . 83.4 m-20 -69.66 -20.09 63.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.812 0.339 . . . . 0.0 110.735 179.016 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' K' K ' 19' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -100.38 -1.13 36.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.033 0.444 . . . . 0.0 110.358 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' K' K ' 20' ' ' CYS . . . . . . . . . . . . . 11.5 t -84.03 156.86 22.03 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.041 -179.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' K' K ' 21' ' ' ASN . . . . . . . . . . . . . 5.3 m120 . . . . . 0 C--O 1.248 0.975 0 CA-C-O 118.726 -0.654 . . . . 0.0 109.871 179.461 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' L' L ' 1' ' ' PHE . . . . . . . . . . . . . 3.2 p90 . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 121.885 0.85 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' L' L ' 2' ' ' VAL . . . . . 0.473 HG22 HD13 ' C' ' 10' ' ' ILE . 6.0 p -121.74 91.05 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.882 0.848 . . . . 0.0 110.806 -179.625 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' L' L ' 3' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -169.35 -58.07 0.02 OUTLIER 'General case' 0 C--O 1.216 -0.681 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.215 -179.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' L' L ' 4' ' ' GLN . . . . . 0.747 ' HG3' HG12 ' K' ' 3' ' ' VAL . 45.3 tt0 -51.48 -37.15 47.52 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.97 0.414 . . . . 0.0 112.083 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' L' L ' 5' ' ' HIS . . . . . 0.544 ' CE1' ' HA ' ' J' ' 17' ' ' LEU . 26.4 t60 -83.66 -5.89 59.3 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 113.214 0.82 . . . . 0.0 113.214 -177.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' L' L ' 6' ' ' LEU . . . . . . . . . . . . . 14.1 mt -119.04 -40.33 2.85 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-O 121.707 0.765 . . . . 0.0 110.33 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' L' L ' 7' ' ' CYS . . . . . 0.406 ' O ' ' HG ' ' L' ' 11' ' ' LEU . 17.1 t -69.37 -40.26 77.54 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.805 -1.089 . . . . 0.0 110.61 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' L' L ' 8' ' ' GLY . . . . . 0.405 ' HA2' ' CD1' ' L' ' 11' ' ' LEU . . . -52.68 -34.27 43.48 Favored Glycine 0 C--N 1.334 0.469 0 CA-C-N 115.923 -0.58 . . . . 0.0 113.049 179.775 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' L' L ' 9' ' ' SER . . . . . 0.654 ' HB2' ' HG3' ' J' ' 13' ' ' GLU . 0.0 OUTLIER -58.64 -29.26 66.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.072 0.463 . . . . 0.0 111.879 -179.936 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' L' L ' 10' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -94.22 -22.6 18.31 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.085 -179.553 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' L' L ' 11' ' ' LEU . . . . . 0.567 HD21 ' H3 ' ' K' ' 22' ' ' IPH . 8.9 mt -70.06 -39.15 75.85 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 107.602 -1.258 . . . . 0.0 107.602 177.598 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' L' L ' 12' ' ' VAL . . . . . 0.972 HG22 HG22 ' J' ' 12' ' ' VAL . 15.1 m -73.48 -34.31 42.24 Favored 'Isoleucine or valine' 0 C--O 1.232 0.184 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.963 179.402 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' L' L ' 13' ' ' GLU . . . . . 0.652 ' HG3' ' HB2' ' J' ' 9' ' ' SER . 33.0 tt0 -61.54 -36.74 81.46 Favored 'General case' 0 C--N 1.34 0.166 0 N-CA-C 108.582 -0.895 . . . . 0.0 108.582 179.278 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' L' L ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.87 -33.39 57.86 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.502 178.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' L' L ' 15' ' ' LEU . . . . . 0.621 HD22 HD21 ' K' ' 16' ' ' LEU . 27.9 mt -57.25 -60.77 3.13 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' L' L ' 16' ' ' TYR . . . . . 0.917 ' HB3' ' HE2' ' L' ' 24' ' ' PHE . 8.2 p90 -72.45 -9.34 58.41 Favored 'General case' 0 C--N 1.333 -0.114 0 C-N-CA 120.078 -0.649 . . . . 0.0 110.627 -179.434 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' L' L ' 17' ' ' LEU . . . . . 0.665 HD13 ' H5 ' ' E' ' 22' ' ' IPH . 9.8 tt -74.08 -38.39 63.93 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 177.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 73.5 t -77.4 -42.23 30.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.362 -0.836 . . . . 0.0 109.646 178.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' L' L ' 19' ' ' CYS . . . . . 0.699 ' HB3' ' HB2' ' L' ' 22' ' ' ARG . 70.9 m -68.06 -40.2 82.84 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.708 -179.5 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' L' L ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.13 -96.06 0.6 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.009 -179.351 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' L' L ' 21' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -90.12 -14.43 33.69 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-O 121.46 0.648 . . . . 0.0 109.553 179.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' L' L ' 22' ' ' ARG . . . . . 0.699 ' HB2' ' HB3' ' L' ' 19' ' ' CYS . 70.9 mtp180 -81.74 160.62 23.58 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.026 179.35 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' L' L ' 23' ' ' GLY . . . . . 0.67 ' HA2' ' HD2' ' J' ' 28' ' ' PRO . . . -108.75 -169.97 20.95 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.725 -0.75 . . . . 0.0 111.259 179.052 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' L' L ' 24' ' ' PHE . . . . . 0.917 ' HE2' ' HB3' ' L' ' 16' ' ' TYR . 28.8 p90 -161.3 159.27 28.31 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 117.351 0.575 . . . . 0.0 111.005 179.572 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' L' L ' 25' ' ' PHE . . . . . . . . . . . . . 15.6 m-30 -104.27 108.13 19.37 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 179.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' L' L ' 26' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -107.8 99.53 8.99 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.305 0.574 . . . . 0.0 111.93 -178.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' L' L ' 27' ' ' THR . . . . . 0.591 ' HA ' ' HA3' ' J' ' 23' ' ' GLY . 4.7 m -118.6 99.8 51.33 Favored Pre-proline 0 C--N 1.315 -0.908 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 177.705 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' L' L ' 28' ' ' PRO . . . . . 0.657 ' HD2' ' HA2' ' J' ' 23' ' ' GLY . 32.0 Cg_endo -65.33 -114.74 0.0 OUTLIER 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.939 2.426 . . . . 0.0 112.407 -178.178 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' L' L ' 29' ' ' LYS . . . . . 0.474 ' H ' ' HB2' ' L' ' 28' ' ' PRO . 76.7 tttt 72.63 -40.36 0.47 Allowed 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 123.002 0.521 . . . . 0.0 110.784 -179.709 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' L' L ' 30' ' ' THR . . . . . 0.45 ' H ' ' C ' ' L' ' 28' ' ' PRO . 39.8 m . . . . . 0 C--O 1.251 1.164 0 CA-C-O 117.844 -1.074 . . . . 0.0 108.325 178.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' IPH . . . . . 0.659 ' H5 ' HD13 ' H' ' 17' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 22' ' ' IPH . . . . . 0.634 ' H5 ' HD13 ' J' ' 17' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 22' ' ' IPH . . . . . 0.665 ' H5 ' HD13 ' L' ' 17' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 22' ' ' IPH . . . . . 0.652 ' H5 ' HD13 ' B' ' 17' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 22' ' ' IPH . . . . . 0.651 ' H5 ' HD13 ' D' ' 17' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' K' K ' 22' ' ' IPH . . . . . 0.66 ' H5 ' HD13 ' F' ' 17' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.773 0 N-CA-C 111.613 -0.595 . . . . 0.0 111.613 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.444 HG21 ' H ' ' A' ' 3' ' ' VAL . 7.2 tt -59.08 -40.9 81.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.8 0.333 . . . . 0.0 111.531 -179.379 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.446 HG12 ' HB3' ' B' ' 28' ' ' PRO . 40.8 t -62.1 -28.69 44.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.221 -179.68 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -76.14 -73.18 0.28 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.874 0.369 . . . . 0.0 111.225 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -50.76 -46.14 59.29 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 113.215 0.82 . . . . 0.0 113.215 -178.368 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 84.6 m -71.11 -24.92 62.38 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 -178.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.9 t -107.69 18.64 21.16 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.454 -0.498 . . . . 0.0 111.192 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.4 t -120.65 -43.54 2.48 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.35 178.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.459 ' O ' ' HB ' ' A' ' 10' ' ' ILE . 58.1 m -143.87 19.35 1.8 Allowed 'General case' 0 CA--C 1.529 0.173 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 179.247 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.74 HG13 HG13 ' F' ' 2' ' ' VAL . 57.6 mt 72.12 141.6 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 CA-C-O 121.269 0.557 . . . . 0.0 111.98 178.504 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 96.8 m -106.2 149.65 26.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.454 179.174 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 28.8 t -77.4 157.85 30.36 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 178.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.464 ' O ' ' HG3' ' A' ' 17' ' ' GLU . 58.8 tp -52.49 -46.66 66.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.329 -179.744 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -63.61 -33.1 74.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.581 -179.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.529 ' O ' ' HB3' ' A' ' 18' ' ' ASN . 87.8 mt-30 -70.72 -37.02 73.47 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 179.097 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.631 HD23 HD22 ' B' ' 15' ' ' LEU . 87.8 mt -69.34 -39.67 78.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.619 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.464 ' HG3' ' O ' ' A' ' 13' ' ' LEU . 33.6 mt-10 -61.98 -27.07 68.59 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.144 0.497 . . . . 0.0 110.268 179.272 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.529 ' HB3' ' O ' ' A' ' 15' ' ' GLN . 10.9 t30 -61.32 -27.59 68.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.783 179.34 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.413 ' CE1' ' HB ' ' A' ' 2' ' ' ILE . 82.7 m-85 -95.88 -86.32 0.31 Allowed 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 178.788 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 16.0 t 54.4 -114.06 0.84 Allowed 'General case' 0 CA--C 1.532 0.281 0 O-C-N 123.847 0.717 . . . . 0.0 110.681 179.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.636 ' HB2' ' HA ' ' B' ' 24' ' ' PHE . 13.3 t30 . . . . . 0 C--O 1.245 0.827 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 179.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 2.7 p90 . . . . . 0 N--CA 1.48 1.072 0 CA-C-O 121.623 0.725 . . . . 0.0 111.447 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . 0.715 HG13 HG13 ' I' ' 10' ' ' ILE . 16.3 m -130.53 97.51 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.701 0.763 . . . . 0.0 110.352 179.532 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . 0.543 ' O ' ' HB3' ' B' ' 7' ' ' CYS . 42.0 t30 -157.01 -52.81 0.08 Allowed 'General case' 0 C--O 1.217 -0.651 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.05 -179.409 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -58.78 -39.01 79.77 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.257 179.02 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . 0.707 ' HA ' ' HE1' ' D' ' 16' ' ' TYR . 7.9 t60 -77.23 -27.03 53.24 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.452 -179.388 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.729 HD12 ' HB2' ' J' ' 7' ' ' CYS . 36.5 mt -89.23 -60.5 1.93 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.694 0.759 . . . . 0.0 110.552 -179.076 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . 0.734 ' HB2' HD12 ' F' ' 6' ' ' LEU . 0.0 OUTLIER -61.8 -48.03 82.45 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 114.534 -1.212 . . . . 0.0 110.948 179.752 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . 0.713 ' HA2' ' HG ' ' B' ' 11' ' ' LEU . . . -59.41 -30.27 67.8 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 121.169 -0.539 . . . . 0.0 112.612 179.733 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' SER . . . . . 0.941 ' HG ' ' HG3' ' D' ' 13' ' ' GLU . 0.3 OUTLIER -69.39 -10.23 57.05 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.941 0.401 . . . . 0.0 110.749 179.61 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -117.5 -9.15 10.89 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-O 120.766 0.317 . . . . 0.0 111.242 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.713 ' HG ' ' HA2' ' B' ' 8' ' ' GLY . 35.4 mt -69.23 -30.4 68.54 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 107.09 -1.448 . . . . 0.0 107.09 177.059 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.621 ' HB ' ' CZ ' ' B' ' 24' ' ' PHE . 10.7 m -68.19 -32.63 56.72 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 CA-C-N 114.596 -1.183 . . . . 0.0 109.89 177.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.941 ' HG3' ' HG ' ' D' ' 9' ' ' SER . 30.0 tt0 -64.45 -33.81 76.73 Favored 'General case' 0 C--O 1.231 0.101 0 N-CA-C 108.949 -0.759 . . . . 0.0 108.949 179.2 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . 0.638 ' HB3' ' HG ' ' H' ' 17' ' ' LEU . . . -72.5 -48.82 37.47 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.656 177.711 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.631 HD22 HD23 ' A' ' 16' ' ' LEU . 95.9 mt -59.16 -35.77 74.11 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.496 0.665 . . . . 0.0 110.014 178.768 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . 0.714 ' HE1' ' HA ' ' D' ' 5' ' ' HIS . 2.1 t80 -56.56 -40.49 75.26 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.63 -1.168 . . . . 0.0 110.241 179.702 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.637 ' HG ' ' HB3' ' H' ' 14' ' ' ALA . 4.0 mm? -73.67 -43.93 58.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.524 179.219 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 56.9 t -60.55 -47.15 94.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.174 -179.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . 0.483 ' HB3' ' HB3' ' B' ' 22' ' ' ARG . 78.7 m -80.64 -30.62 36.62 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.66 -179.35 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . 0.432 ' HA2' ' HE1' ' D' ' 5' ' ' HIS . . . 73.09 -136.78 23.04 Favored Glycine 0 N--CA 1.447 -0.567 0 N-CA-C 110.329 -1.108 . . . . 0.0 110.329 -178.338 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.406 ' HG3' ' HG1' ' D' ' 30' ' ' THR . 20.6 mm-40 -85.86 57.25 4.37 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.725 0.774 . . . . 0.0 108.961 178.461 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . 0.483 ' HB3' ' HB3' ' B' ' 19' ' ' CYS . 33.4 ttt180 -118.95 -49.33 2.42 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.988 -1.005 . . . . 0.0 110.303 -178.581 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . 0.891 ' HA2' ' HD2' ' D' ' 28' ' ' PRO . . . 111.84 178.36 20.08 Favored Glycine 0 N--CA 1.445 -0.721 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.067 -178.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . 0.636 ' HA ' ' HB2' ' A' ' 21' ' ' ASN . 1.5 p90 -166.04 165.47 17.87 Favored 'General case' 0 C--O 1.24 0.562 0 CA-C-O 121.054 0.454 . . . . 0.0 110.948 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 12.3 p90 -122.67 126.8 48.33 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 177.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.451 ' CD2' ' HD3' ' B' ' 28' ' ' PRO . 24.6 t80 -129.35 122.69 30.02 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.929 -0.308 . . . . 0.0 110.363 -178.37 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' THR . . . . . 0.42 ' HA ' ' HA3' ' D' ' 23' ' ' GLY . 1.1 p -128.08 78.94 74.67 Favored Pre-proline 0 C--N 1.325 -0.457 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 -178.487 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . 0.861 ' HD2' ' HA2' ' D' ' 23' ' ' GLY . 89.0 Cg_endo -81.64 135.88 9.35 Favored 'Trans proline' 0 N--CA 1.461 -0.438 0 C-N-CA 122.539 2.159 . . . . 0.0 110.231 177.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -154.13 125.41 7.4 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 119.863 -0.735 . . . . 0.0 112.344 -178.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' THR . . . . . 0.408 ' HG1' ' HG3' ' D' ' 21' ' ' GLU . 1.4 p . . . . . 0 C--O 1.246 0.876 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 177.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.98 0 N-CA-C 112.161 -0.376 . . . . 0.0 112.161 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 2' ' ' ILE . . . . . 0.451 HG21 ' H ' ' C' ' 3' ' ' VAL . 7.3 tt -58.05 -41.67 81.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.048 0.451 . . . . 0.0 111.643 -179.61 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 3' ' ' VAL . . . . . 0.454 HG12 ' HB3' ' D' ' 28' ' ' PRO . 39.8 t -60.62 -31.07 48.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.273 -179.837 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -74.66 -72.82 0.27 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.389 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 5' ' ' GLN . . . . . 0.419 ' HA ' HG23 ' C' ' 8' ' ' THR . 15.9 pt20 -51.58 -43.04 62.33 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 113.475 0.917 . . . . 0.0 113.475 -178.045 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 82.0 m -74.13 -24.54 59.44 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -178.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 7' ' ' CYS . . . . . . . . . . . . . 9.5 t -107.87 18.71 20.97 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.954 -179.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 8' ' ' THR . . . . . 0.419 HG23 ' HA ' ' C' ' 5' ' ' GLN . 12.3 t -120.3 -43.6 2.51 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.353 178.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 9' ' ' SER . . . . . 0.427 ' O ' ' HB ' ' C' ' 10' ' ' ILE . 63.7 m -144.85 21.13 1.63 Allowed 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 179.162 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . 0.714 HG13 HG13 ' L' ' 2' ' ' VAL . 57.0 mt 70.96 141.7 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 CA-C-O 121.352 0.596 . . . . 0.0 112.409 178.342 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 99.4 m -106.62 149.38 27.26 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.08 0.467 . . . . 0.0 110.476 179.011 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 40.9 t -77.21 157.18 31.01 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.507 178.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 13' ' ' LEU . . . . . 0.462 ' O ' ' HG3' ' C' ' 17' ' ' GLU . 58.1 tp -52.01 -46.75 65.08 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.505 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -64.14 -32.58 74.2 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.64 -179.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . 0.491 ' O ' ' HB3' ' C' ' 18' ' ' ASN . 88.4 mt-30 -70.65 -37.23 73.7 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.11 0.481 . . . . 0.0 109.862 179.145 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 16' ' ' LEU . . . . . 0.629 HD23 HD22 ' D' ' 15' ' ' LEU . 87.9 mt -69.27 -39.41 78.41 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.789 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 17' ' ' GLU . . . . . 0.462 ' HG3' ' O ' ' C' ' 13' ' ' LEU . 40.6 mt-10 -61.78 -28.39 69.42 Favored 'General case' 0 N--CA 1.461 0.095 0 CA-C-O 120.961 0.41 . . . . 0.0 110.337 179.328 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 18' ' ' ASN . . . . . 0.491 ' HB3' ' O ' ' C' ' 15' ' ' GLN . 10.5 t30 -59.97 -28.96 68.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.778 179.699 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 19' ' ' TYR . . . . . 0.427 ' CE1' ' HB ' ' C' ' 2' ' ' ILE . 80.6 m-85 -94.27 -86.15 0.28 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.304 -0.407 . . . . 0.0 109.906 178.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 15.9 t 54.12 -113.33 0.77 Allowed 'General case' 0 CA--C 1.533 0.314 0 O-C-N 123.742 0.651 . . . . 0.0 110.541 179.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 21' ' ' ASN . . . . . 0.652 ' HB2' ' HA ' ' D' ' 24' ' ' PHE . 14.1 t30 . . . . . 0 C--O 1.243 0.739 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 179.14 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 2.8 p90 . . . . . 0 N--CA 1.481 1.093 0 CA-C-O 121.395 0.616 . . . . 0.0 111.523 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 2' ' ' VAL . . . . . 0.701 HG13 HG13 ' G' ' 10' ' ' ILE . 16.1 m -131.23 97.35 2.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.681 0.753 . . . . 0.0 110.35 179.336 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 3' ' ' ASN . . . . . 0.538 ' O ' ' HB3' ' D' ' 7' ' ' CYS . 42.4 t30 -156.77 -52.81 0.08 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.129 -179.688 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -58.4 -38.91 78.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.171 179.007 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 5' ' ' HIS . . . . . 0.714 ' HA ' ' HE1' ' B' ' 16' ' ' TYR . 8.6 t60 -77.4 -27.18 52.32 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.585 -179.282 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 6' ' ' LEU . . . . . 0.752 HD12 ' HB2' ' H' ' 7' ' ' CYS . 33.9 mt -89.36 -59.24 2.27 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.61 0.719 . . . . 0.0 110.631 -179.008 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 7' ' ' CYS . . . . . 0.736 ' HB2' HD12 ' L' ' 6' ' ' LEU . 0.0 OUTLIER -63.22 -47.88 80.66 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 114.685 -1.143 . . . . 0.0 110.784 179.916 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' D' D ' 8' ' ' GLY . . . . . 0.716 ' HA2' ' HG ' ' D' ' 11' ' ' LEU . . . -59.6 -29.75 67.44 Favored Glycine 0 C--N 1.331 0.302 0 C-N-CA 121.063 -0.589 . . . . 0.0 112.627 179.676 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 9' ' ' SER . . . . . 0.941 ' HG ' ' HG3' ' B' ' 13' ' ' GLU . 0.3 OUTLIER -69.57 -9.94 56.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.891 0.377 . . . . 0.0 110.776 179.474 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' D' D ' 10' ' ' HIS . . . . . . . . . . . . . 87.5 m-70 -118.07 -9.11 10.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.738 0.304 . . . . 0.0 111.148 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 11' ' ' LEU . . . . . 0.716 ' HG ' ' HA2' ' D' ' 8' ' ' GLY . 36.3 mt -69.24 -30.26 68.35 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 107.117 -1.438 . . . . 0.0 107.117 177.039 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . 0.619 ' HB ' ' CZ ' ' D' ' 24' ' ' PHE . 10.7 m -68.47 -32.47 55.51 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 CA-C-N 114.525 -1.216 . . . . 0.0 109.832 177.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 13' ' ' GLU . . . . . 0.941 ' HG3' ' HG ' ' B' ' 9' ' ' SER . 29.5 tt0 -64.4 -33.89 76.9 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 179.132 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 14' ' ' ALA . . . . . 0.648 ' HB3' ' HG ' ' J' ' 17' ' ' LEU . . . -72.5 -48.84 37.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.696 177.771 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 15' ' ' LEU . . . . . 0.629 HD22 HD23 ' C' ' 16' ' ' LEU . 94.7 mt -59.13 -35.78 74.07 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.429 0.633 . . . . 0.0 109.925 178.689 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 16' ' ' TYR . . . . . 0.707 ' HE1' ' HA ' ' B' ' 5' ' ' HIS . 2.0 t80 -56.28 -40.7 74.69 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.727 -1.124 . . . . 0.0 110.269 179.538 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . 0.641 ' HG ' ' HB3' ' J' ' 14' ' ' ALA . 4.1 mm? -73.71 -43.61 58.75 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.098 0.475 . . . . 0.0 110.645 179.122 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 55.5 t -61.02 -45.54 98.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.351 -179.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 19' ' ' CYS . . . . . 0.453 ' HB3' ' HB3' ' D' ' 22' ' ' ARG . 77.2 m -82.88 -28.66 29.87 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.729 -179.352 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 20' ' ' GLY . . . . . 0.449 ' HA2' ' HE1' ' B' ' 5' ' ' HIS . . . 71.24 -136.3 24.96 Favored Glycine 0 N--CA 1.447 -0.591 0 N-CA-C 110.691 -0.963 . . . . 0.0 110.691 -178.607 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 21' ' ' GLU . . . . . 0.408 ' HG3' ' HG1' ' B' ' 30' ' ' THR . 22.5 mm-40 -86.31 57.54 4.54 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 178.45 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 22' ' ' ARG . . . . . 0.453 ' HB3' ' HB3' ' D' ' 19' ' ' CYS . 30.8 ttt180 -119.39 -49.65 2.36 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.143 -178.648 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 23' ' ' GLY . . . . . 0.861 ' HA2' ' HD2' ' B' ' 28' ' ' PRO . . . 112.17 178.13 19.94 Favored Glycine 0 N--CA 1.444 -0.785 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.141 -179.144 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 24' ' ' PHE . . . . . 0.652 ' HA ' ' HB2' ' C' ' 21' ' ' ASN . 1.5 p90 -165.99 164.99 18.29 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-O 121.168 0.509 . . . . 0.0 110.93 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 25' ' ' PHE . . . . . . . . . . . . . 12.0 p90 -121.95 128.22 51.25 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 177.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 26' ' ' TYR . . . . . 0.471 ' CD2' ' HD3' ' D' ' 28' ' ' PRO . 25.3 t80 -130.75 122.28 26.94 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 -178.247 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 27' ' ' THR . . . . . 0.429 ' HA ' ' HA3' ' B' ' 23' ' ' GLY . 1.7 p -127.42 78.39 74.69 Favored Pre-proline 0 C--N 1.326 -0.425 0 N-CA-C 113.451 0.908 . . . . 0.0 113.451 -178.604 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 28' ' ' PRO . . . . . 0.891 ' HD2' ' HA2' ' B' ' 23' ' ' GLY . 86.3 Cg_endo -81.11 135.58 9.82 Favored 'Trans proline' 0 N--CA 1.461 -0.441 0 C-N-CA 122.428 2.085 . . . . 0.0 110.418 177.755 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -153.43 127.05 8.74 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.122 -0.631 . . . . 0.0 112.458 -178.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 30' ' ' THR . . . . . 0.406 ' HG1' ' HG3' ' B' ' 21' ' ' GLU . 1.2 p . . . . . 0 C--O 1.246 0.91 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.165 178.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.724 0 N-CA-C 111.902 -0.479 . . . . 0.0 111.902 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' E' E ' 2' ' ' ILE . . . . . 0.467 HG21 ' H ' ' E' ' 3' ' ' VAL . 7.4 tt -59.49 -41.55 85.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.959 0.409 . . . . 0.0 111.358 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 3' ' ' VAL . . . . . 0.47 HG12 ' HB3' ' F' ' 28' ' ' PRO . 37.2 t -60.9 -29.66 45.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.057 0.456 . . . . 0.0 111.119 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 4' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -74.94 -73.9 0.22 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.853 0.359 . . . . 0.0 111.071 179.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -51.16 -43.85 61.35 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 -178.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 6' ' ' CYS . . . . . . . . . . . . . 80.1 m -73.58 -24.78 60.12 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 -178.256 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 7' ' ' CYS . . . . . . . . . . . . . 9.1 t -107.38 18.65 21.31 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.463 -0.495 . . . . 0.0 111.161 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 11.8 t -120.46 -43.45 2.5 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.237 178.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 9' ' ' SER . . . . . 0.437 ' O ' ' HB ' ' E' ' 10' ' ' ILE . 47.6 m -145.1 21.65 1.57 Allowed 'General case' 0 C--O 1.233 0.232 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 179.178 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 10' ' ' ILE . . . . . 0.714 HG13 HG13 ' J' ' 2' ' ' VAL . 57.9 mt 70.58 141.2 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 CA-C-O 121.365 0.602 . . . . 0.0 112.407 178.156 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 11' ' ' CYS . . . . . . . . . . . . . 93.5 m -105.37 151.07 24.64 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.382 178.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 12' ' ' SER . . . . . . . . . . . . . 37.0 t -78.93 157.55 28.2 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 178.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 13' ' ' LEU . . . . . 0.452 ' O ' ' HG3' ' E' ' 17' ' ' GLU . 57.9 tp -52.31 -46.77 66.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.876 0.37 . . . . 0.0 111.278 -179.546 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -63.85 -31.98 73.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.775 -179.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . 0.512 ' O ' ' HB3' ' E' ' 18' ' ' ASN . 88.7 mt-30 -71.56 -37.25 71.09 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.021 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 16' ' ' LEU . . . . . 0.629 HD21 HD22 ' F' ' 15' ' ' LEU . 87.0 mt -69.0 -40.14 78.89 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.762 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 17' ' ' GLU . . . . . 0.452 ' HG3' ' O ' ' E' ' 13' ' ' LEU . 38.8 mt-10 -61.31 -28.35 69.14 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.036 0.446 . . . . 0.0 110.312 179.273 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 18' ' ' ASN . . . . . 0.512 ' HB3' ' O ' ' E' ' 15' ' ' GLN . 10.8 t30 -59.13 -30.11 67.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.894 179.23 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 19' ' ' TYR . . . . . 0.413 ' CE1' ' HB ' ' E' ' 2' ' ' ILE . 78.2 m-85 -93.57 -87.14 0.25 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.309 -0.405 . . . . 0.0 109.978 178.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 20' ' ' CYS . . . . . . . . . . . . . 17.6 t 54.98 -113.57 0.8 Allowed 'General case' 0 CA--C 1.532 0.275 0 O-C-N 123.706 0.629 . . . . 0.0 110.521 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 21' ' ' ASN . . . . . 0.623 ' HB2' ' HA ' ' F' ' 24' ' ' PHE . 14.9 t30 . . . . . 0 C--O 1.248 0.977 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 179.308 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 1' ' ' PHE . . . . . . . . . . . . . 2.5 p90 . . . . . 0 N--CA 1.481 1.097 0 CA-C-O 121.426 0.631 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' F' F ' 2' ' ' VAL . . . . . 0.74 HG13 HG13 ' A' ' 10' ' ' ILE . 16.1 m -131.04 97.79 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.888 0.852 . . . . 0.0 110.261 179.596 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' F' F ' 3' ' ' ASN . . . . . 0.553 ' O ' ' HB3' ' F' ' 7' ' ' CYS . 43.2 t30 -157.36 -52.55 0.07 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.272 -0.877 . . . . 0.0 109.111 -179.492 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' F' F ' 4' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -58.88 -38.87 79.79 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.856 0.36 . . . . 0.0 111.201 179.076 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 5' ' ' HIS . . . . . 0.711 ' HA ' ' HE1' ' H' ' 16' ' ' TYR . 8.1 t60 -77.26 -27.61 53.24 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.519 -179.252 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' F' F ' 6' ' ' LEU . . . . . 0.734 HD12 ' HB2' ' B' ' 7' ' ' CYS . 35.6 mt -88.75 -59.69 2.16 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.678 0.751 . . . . 0.0 110.631 -179.084 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' F' F ' 7' ' ' CYS . . . . . 0.745 ' HB2' HD12 ' J' ' 6' ' ' LEU . 0.0 OUTLIER -62.63 -48.23 80.3 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 114.561 -1.2 . . . . 0.0 110.956 179.717 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' F' F ' 8' ' ' GLY . . . . . 0.697 ' HA2' ' HG ' ' F' ' 11' ' ' LEU . . . -59.28 -30.03 66.96 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 121.054 -0.593 . . . . 0.0 112.621 179.687 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' F' F ' 9' ' ' SER . . . . . 0.974 ' HG ' ' HG3' ' H' ' 13' ' ' GLU . 0.3 OUTLIER -69.58 -9.64 54.87 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.975 0.416 . . . . 0.0 110.655 179.605 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' F' F ' 10' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -118.24 -8.94 10.54 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 120.754 0.311 . . . . 0.0 111.128 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 11' ' ' LEU . . . . . 0.697 ' HG ' ' HA2' ' F' ' 8' ' ' GLY . 35.7 mt -69.66 -30.27 67.92 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 107.048 -1.464 . . . . 0.0 107.048 177.051 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' F' F ' 12' ' ' VAL . . . . . 0.618 ' HB ' ' CZ ' ' F' ' 24' ' ' PHE . 10.6 m -68.42 -32.39 55.29 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.321 0 CA-C-N 114.667 -1.151 . . . . 0.0 109.756 177.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' F' F ' 13' ' ' GLU . . . . . 0.936 ' HG3' ' HG ' ' H' ' 9' ' ' SER . 29.9 tt0 -64.42 -33.55 76.12 Favored 'General case' 0 C--N 1.334 -0.092 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 179.136 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' F' F ' 14' ' ' ALA . . . . . 0.644 ' HB3' ' HG ' ' L' ' 17' ' ' LEU . . . -72.69 -49.06 33.91 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.594 177.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' F' F ' 15' ' ' LEU . . . . . 0.629 HD22 HD21 ' E' ' 16' ' ' LEU . 93.8 mt -58.99 -35.64 73.56 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.949 178.672 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' F' F ' 16' ' ' TYR . . . . . 0.711 ' HE1' ' HA ' ' H' ' 5' ' ' HIS . 2.0 t80 -56.72 -40.03 74.96 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 114.861 -1.063 . . . . 0.0 110.22 179.645 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' F' F ' 17' ' ' LEU . . . . . 0.634 ' HG ' ' HB3' ' L' ' 14' ' ' ALA . 4.0 mm? -74.36 -43.57 55.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.49 179.203 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 60.7 t -60.29 -47.44 92.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.319 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 19' ' ' CYS . . . . . 0.464 ' HB3' ' HB3' ' F' ' 22' ' ' ARG . 77.1 m -80.66 -30.2 36.57 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.571 -179.268 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' F' F ' 20' ' ' GLY . . . . . 0.462 ' HA2' ' HE1' ' H' ' 5' ' ' HIS . . . 72.99 -135.79 21.87 Favored Glycine 0 N--CA 1.446 -0.692 0 N-CA-C 110.535 -1.026 . . . . 0.0 110.535 -178.582 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' F' F ' 21' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -87.04 57.89 4.75 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 178.285 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 22' ' ' ARG . . . . . 0.464 ' HB3' ' HB3' ' F' ' 19' ' ' CYS . 31.7 ttt180 -119.97 -49.27 2.31 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.124 -178.63 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' F' F ' 23' ' ' GLY . . . . . 0.889 ' HA2' ' HD2' ' H' ' 28' ' ' PRO . . . 111.69 178.33 20.14 Favored Glycine 0 N--CA 1.444 -0.823 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.084 -179.137 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' F' F ' 24' ' ' PHE . . . . . 0.623 ' HA ' ' HB2' ' E' ' 21' ' ' ASN . 1.6 p90 -166.07 165.2 17.99 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-O 121.179 0.514 . . . . 0.0 110.913 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' F' F ' 25' ' ' PHE . . . . . 0.401 ' CE1' ' HA ' ' E' ' 21' ' ' ASN . 11.7 p90 -122.2 127.54 50.12 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 177.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' F' F ' 26' ' ' TYR . . . . . 0.488 ' CD2' ' HD3' ' F' ' 28' ' ' PRO . 24.7 t80 -130.02 122.32 28.18 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 -178.459 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' F' F ' 27' ' ' THR . . . . . 0.424 ' HA ' ' HA3' ' H' ' 23' ' ' GLY . 1.2 p -127.79 78.05 75.52 Favored Pre-proline 0 C--N 1.325 -0.481 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -178.375 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' F' F ' 28' ' ' PRO . . . . . 0.891 ' HD2' ' HA2' ' H' ' 23' ' ' GLY . 88.1 Cg_endo -80.54 136.88 11.25 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.531 2.154 . . . . 0.0 110.373 177.807 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' F' F ' 29' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -154.77 127.97 8.35 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.232 -0.587 . . . . 0.0 112.245 -179.092 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 30' ' ' THR . . . . . 0.409 ' HG1' ' HG3' ' H' ' 21' ' ' GLU . 1.6 p . . . . . 0 C--O 1.243 0.758 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 177.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.678 0 N-CA-C 111.875 -0.49 . . . . 0.0 111.875 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' G' G ' 2' ' ' ILE . . . . . 0.436 HG21 ' H ' ' G' ' 3' ' ' VAL . 7.6 tt -58.58 -41.06 80.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 121.142 0.496 . . . . 0.0 111.792 -179.472 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' G' G ' 3' ' ' VAL . . . . . 0.461 HG12 ' HB3' ' H' ' 28' ' ' PRO . 39.8 t -62.01 -28.31 44.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.238 -179.748 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' G' G ' 4' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -76.3 -73.5 0.27 Allowed 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 120.742 0.306 . . . . 0.0 110.992 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 5' ' ' GLN . . . . . 0.421 ' HA ' HG23 ' G' ' 8' ' ' THR . 16.3 pt20 -50.86 -45.0 59.68 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 113.353 0.871 . . . . 0.0 113.353 -178.232 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' G' G ' 6' ' ' CYS . . . . . . . . . . . . . 83.4 m -72.56 -23.77 61.02 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 -178.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 7' ' ' CYS . . . . . . . . . . . . . 8.9 t -108.19 17.0 22.76 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.068 0.461 . . . . 0.0 110.946 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 8' ' ' THR . . . . . 0.421 HG23 ' HA ' ' G' ' 5' ' ' GLN . 13.8 t -118.75 -43.82 2.66 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.336 178.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' G' G ' 9' ' ' SER . . . . . 0.427 ' O ' ' HB ' ' G' ' 10' ' ' ILE . 71.5 m -144.53 21.39 1.68 Allowed 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 179.523 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' G' G ' 10' ' ' ILE . . . . . 0.701 HG13 HG13 ' D' ' 2' ' ' VAL . 58.2 mt 70.77 140.93 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 CA-C-O 121.346 0.593 . . . . 0.0 112.174 178.309 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' G' G ' 11' ' ' CYS . . . . . . . . . . . . . 93.6 m -105.85 150.63 25.42 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.423 178.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 12' ' ' SER . . . . . . . . . . . . . 39.6 t -78.18 157.53 29.35 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.323 178.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 13' ' ' LEU . . . . . 0.46 ' O ' ' HG3' ' G' ' 17' ' ' GLU . 58.3 tp -52.47 -47.22 66.63 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 122.694 0.398 . . . . 0.0 111.441 -179.665 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -63.69 -33.39 75.54 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.423 -179.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 15' ' ' GLN . . . . . 0.505 ' O ' ' HB3' ' G' ' 18' ' ' ASN . 87.6 mt-30 -70.05 -37.31 75.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.891 0.377 . . . . 0.0 110.051 178.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' G' G ' 16' ' ' LEU . . . . . 0.63 HD21 HD22 ' H' ' 15' ' ' LEU . 86.9 mt -69.04 -39.01 79.44 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.685 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' G' G ' 17' ' ' GLU . . . . . 0.46 ' HG3' ' O ' ' G' ' 13' ' ' LEU . 38.0 mt-10 -62.39 -27.74 69.29 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.349 179.416 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' G' G ' 18' ' ' ASN . . . . . 0.505 ' HB3' ' O ' ' G' ' 15' ' ' GLN . 10.1 t30 -60.21 -29.34 68.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.537 179.461 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' G' G ' 19' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -94.05 -86.54 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.096 178.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 20' ' ' CYS . . . . . . . . . . . . . 16.8 t 54.07 -113.81 0.81 Allowed 'General case' 0 CA--C 1.533 0.312 0 O-C-N 123.599 0.562 . . . . 0.0 110.859 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 21' ' ' ASN . . . . . 0.646 ' HB2' ' HA ' ' H' ' 24' ' ' PHE . 12.7 t30 . . . . . 0 C--O 1.247 0.963 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 179.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 1' ' ' PHE . . . . . . . . . . . . . 2.4 p90 . . . . . 0 N--CA 1.479 1.013 0 CA-C-O 121.527 0.68 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' H' H ' 2' ' ' VAL . . . . . 0.728 HG13 HG13 ' K' ' 10' ' ' ILE . 16.4 m -129.48 97.16 3.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.801 0.81 . . . . 0.0 110.47 179.683 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' H' H ' 3' ' ' ASN . . . . . 0.547 ' O ' ' HB3' ' H' ' 7' ' ' CYS . 42.2 t30 -156.6 -52.82 0.08 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.467 -0.788 . . . . 0.0 108.975 -179.768 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' H' H ' 4' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -58.49 -38.66 78.11 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.895 0.379 . . . . 0.0 111.26 179.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 5' ' ' HIS . . . . . 0.711 ' HA ' ' HE1' ' F' ' 16' ' ' TYR . 7.8 t60 -77.66 -26.78 50.63 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.764 -179.258 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' H' H ' 6' ' ' LEU . . . . . 0.738 HD12 ' HB2' ' L' ' 7' ' ' CYS . 34.6 mt -89.54 -59.36 2.23 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.635 0.731 . . . . 0.0 110.55 -179.162 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' H' H ' 7' ' ' CYS . . . . . 0.752 ' HB2' HD12 ' D' ' 6' ' ' LEU . 0.0 OUTLIER -62.98 -48.04 80.56 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.5 -1.227 . . . . 0.0 110.889 179.889 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' H' H ' 8' ' ' GLY . . . . . 0.726 ' HA2' ' HG ' ' H' ' 11' ' ' LEU . . . -59.7 -29.69 67.62 Favored Glycine 0 C--N 1.331 0.282 0 C-N-CA 121.07 -0.586 . . . . 0.0 112.63 179.716 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' H' H ' 9' ' ' SER . . . . . 0.936 ' HG ' ' HG3' ' F' ' 13' ' ' GLU . 0.3 OUTLIER -69.71 -9.77 55.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.972 0.415 . . . . 0.0 110.556 179.551 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' H' H ' 10' ' ' HIS . . . . . . . . . . . . . 87.2 m-70 -118.04 -9.42 10.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.129 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 11' ' ' LEU . . . . . 0.726 ' HG ' ' HA2' ' H' ' 8' ' ' GLY . 35.2 mt -69.06 -30.05 68.3 Favored 'General case' 0 CA--C 1.519 -0.245 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 177.124 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' H' H ' 12' ' ' VAL . . . . . 0.623 ' HB ' ' CZ ' ' H' ' 24' ' ' PHE . 10.9 m -68.57 -32.53 55.6 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 CA-C-N 114.599 -1.182 . . . . 0.0 109.795 177.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' H' H ' 13' ' ' GLU . . . . . 0.974 ' HG3' ' HG ' ' F' ' 9' ' ' SER . 29.5 tt0 -64.22 -33.92 76.91 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 179.119 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' H' H ' 14' ' ' ALA . . . . . 0.637 ' HB3' ' HG ' ' B' ' 17' ' ' LEU . . . -72.52 -49.0 35.86 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.509 -0.768 . . . . 0.0 109.654 177.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' H' H ' 15' ' ' LEU . . . . . 0.63 HD22 HD21 ' G' ' 16' ' ' LEU . 95.5 mt -58.98 -35.58 73.44 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.41 0.624 . . . . 0.0 110.032 178.759 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' H' H ' 16' ' ' TYR . . . . . 0.711 ' HE1' ' HA ' ' F' ' 5' ' ' HIS . 2.1 t80 -56.85 -40.24 75.73 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.787 -1.097 . . . . 0.0 110.286 179.711 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' H' H ' 17' ' ' LEU . . . . . 0.638 ' HG ' ' HB3' ' B' ' 14' ' ' ALA . 4.0 mm? -74.19 -43.11 58.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.506 179.183 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 58.0 t -61.31 -46.67 96.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.237 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 19' ' ' CYS . . . . . 0.471 ' HB3' ' HB3' ' H' ' 22' ' ' ARG . 76.9 m -80.91 -30.64 35.38 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.614 -179.373 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' H' H ' 20' ' ' GLY . . . . . 0.434 ' HA2' ' HE1' ' F' ' 5' ' ' HIS . . . 73.49 -135.79 21.28 Favored Glycine 0 N--CA 1.447 -0.587 0 N-CA-C 110.598 -1.001 . . . . 0.0 110.598 -178.566 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' H' H ' 21' ' ' GLU . . . . . 0.409 ' HG3' ' HG1' ' F' ' 30' ' ' THR . 21.1 mm-40 -86.96 56.89 4.21 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 178.346 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' H' H ' 22' ' ' ARG . . . . . 0.471 ' HB3' ' HB3' ' H' ' 19' ' ' CYS . 31.9 ttt180 -118.72 -50.59 2.4 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.91 -1.041 . . . . 0.0 110.057 -178.701 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' H' H ' 23' ' ' GLY . . . . . 0.891 ' HA2' ' HD2' ' F' ' 28' ' ' PRO . . . 112.98 179.01 19.54 Favored Glycine 0 N--CA 1.443 -0.853 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.066 -179.216 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' H' H ' 24' ' ' PHE . . . . . 0.646 ' HA ' ' HB2' ' G' ' 21' ' ' ASN . 1.6 p90 -166.11 166.2 17.25 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 121.076 0.465 . . . . 0.0 111.032 179.654 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' H' H ' 25' ' ' PHE . . . . . . . . . . . . . 10.8 p90 -122.99 128.57 50.38 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 177.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 26' ' ' TYR . . . . . 0.455 ' CD2' ' HD3' ' H' ' 28' ' ' PRO . 26.0 t80 -131.43 121.09 23.98 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 121.067 -0.253 . . . . 0.0 110.332 -178.252 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' H' H ' 27' ' ' THR . . . . . 0.433 ' HA ' ' HA3' ' F' ' 23' ' ' GLY . 1.4 p -126.4 79.07 71.14 Favored Pre-proline 0 C--N 1.327 -0.411 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 -178.718 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' H' H ' 28' ' ' PRO . . . . . 0.889 ' HD2' ' HA2' ' F' ' 23' ' ' GLY . 91.1 Cg_endo -81.1 136.17 10.14 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 122.481 2.121 . . . . 0.0 110.179 177.743 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' H' H ' 29' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -154.45 126.27 7.63 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.137 -0.625 . . . . 0.0 112.415 -178.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 30' ' ' THR . . . . . . . . . . . . . 1.4 p . . . . . 0 C--O 1.247 0.924 0 CA-C-N 115.241 -0.89 . . . . 0.0 108.655 177.912 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' I' I ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.826 0 N-CA-C 111.607 -0.597 . . . . 0.0 111.607 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' I' I ' 2' ' ' ILE . . . . . 0.439 HG21 ' H ' ' I' ' 3' ' ' VAL . 6.9 tt -59.27 -41.15 83.16 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 CA-C-O 120.8 0.333 . . . . 0.0 111.673 -179.695 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' I' I ' 3' ' ' VAL . . . . . 0.464 HG12 ' HB3' ' J' ' 28' ' ' PRO . 39.1 t -61.12 -30.18 47.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 120.972 0.415 . . . . 0.0 111.401 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' I' I ' 4' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -74.63 -73.78 0.22 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.24 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 5' ' ' GLN . . . . . 0.414 ' HA ' HG23 ' I' ' 8' ' ' THR . 16.2 pt20 -51.04 -43.4 60.92 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -178.191 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' I' I ' 6' ' ' CYS . . . . . . . . . . . . . 80.5 m -73.98 -23.88 59.53 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 -178.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 7' ' ' CYS . . . . . . . . . . . . . 9.0 t -108.25 18.25 21.29 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.428 -0.509 . . . . 0.0 111.034 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 8' ' ' THR . . . . . 0.414 HG23 ' HA ' ' I' ' 5' ' ' GLN . 14.4 t -119.47 -44.38 2.56 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.416 178.588 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' I' I ' 9' ' ' SER . . . . . 0.421 ' O ' ' HB ' ' I' ' 10' ' ' ILE . 57.7 m -144.31 21.99 1.7 Allowed 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 179.262 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' I' I ' 10' ' ' ILE . . . . . 0.715 HG13 HG13 ' B' ' 2' ' ' VAL . 54.6 mt 70.09 140.5 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 CA-C-O 121.223 0.535 . . . . 0.0 112.395 178.17 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' I' I ' 11' ' ' CYS . . . . . . . . . . . . . 97.6 m -105.14 149.65 25.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.693 178.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 12' ' ' SER . . . . . . . . . . . . . 33.4 t -77.54 157.47 30.34 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.551 -0.536 . . . . 0.0 109.551 179.009 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 13' ' ' LEU . . . . . 0.448 ' O ' ' HG3' ' I' ' 17' ' ' GLU . 58.1 tp -52.13 -47.06 65.55 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 123.33 0.394 . . . . 0.0 111.377 -179.572 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -62.97 -34.41 77.46 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.561 -179.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 15' ' ' GLN . . . . . 0.52 ' O ' ' HB3' ' I' ' 18' ' ' ASN . 87.9 mt-30 -69.08 -38.38 78.96 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 178.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' I' I ' 16' ' ' LEU . . . . . 0.645 HD21 HD22 ' J' ' 15' ' ' LEU . 86.1 mt -68.14 -39.32 82.71 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.991 179.743 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' I' I ' 17' ' ' GLU . . . . . 0.448 ' HG3' ' O ' ' I' ' 13' ' ' LEU . 37.1 mt-10 -62.2 -26.72 68.51 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.083 0.468 . . . . 0.0 110.313 179.367 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' I' I ' 18' ' ' ASN . . . . . 0.52 ' HB3' ' O ' ' I' ' 15' ' ' GLN . 9.6 t30 -61.41 -29.45 69.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.601 179.644 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' I' I ' 19' ' ' TYR . . . . . 0.422 ' CE1' ' HB ' ' I' ' 2' ' ' ILE . 77.9 m-85 -93.87 -86.18 0.27 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.358 -0.383 . . . . 0.0 109.996 179.036 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' I' I ' 20' ' ' CYS . . . . . . . . . . . . . 16.0 t 54.1 -113.54 0.79 Allowed 'General case' 0 CA--C 1.534 0.33 0 O-C-N 123.609 0.568 . . . . 0.0 110.672 179.614 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 21' ' ' ASN . . . . . 0.62 ' HB2' ' HA ' ' J' ' 24' ' ' PHE . 15.6 t30 . . . . . 0 C--O 1.246 0.885 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 179.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' J' J ' 1' ' ' PHE . . . . . . . . . . . . . 2.4 p90 . . . . . 0 N--CA 1.48 1.025 0 CA-C-O 121.36 0.6 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' J' J ' 2' ' ' VAL . . . . . 0.714 HG13 HG13 ' E' ' 10' ' ' ILE . 16.0 m -131.81 97.15 2.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.878 0.847 . . . . 0.0 110.327 179.45 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' J' J ' 3' ' ' ASN . . . . . 0.561 ' O ' ' HB3' ' J' ' 7' ' ' CYS . 41.6 t30 -156.83 -51.95 0.08 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.109 -179.526 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' J' J ' 4' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -59.22 -38.78 80.78 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.137 179.081 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' J' J ' 5' ' ' HIS . . . . . 0.724 ' HA ' ' HE1' ' L' ' 16' ' ' TYR . 8.4 t60 -77.51 -27.48 51.77 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.49 -179.409 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' J' J ' 6' ' ' LEU . . . . . 0.745 HD12 ' HB2' ' F' ' 7' ' ' CYS . 35.2 mt -88.95 -59.15 2.3 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.647 0.736 . . . . 0.0 110.773 -178.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' J' J ' 7' ' ' CYS . . . . . 0.729 ' HB2' HD12 ' B' ' 6' ' ' LEU . 0.0 OUTLIER -63.44 -47.54 81.45 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 114.601 -1.181 . . . . 0.0 110.954 179.718 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' J' J ' 8' ' ' GLY . . . . . 0.707 ' HA2' ' HG ' ' J' ' 11' ' ' LEU . . . -59.46 -30.46 68.3 Favored Glycine 0 C--N 1.33 0.24 0 C-N-CA 121.079 -0.581 . . . . 0.0 112.443 179.576 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' J' J ' 9' ' ' SER . . . . . 0.944 ' HG ' ' HG3' ' L' ' 13' ' ' GLU . 0.3 OUTLIER -69.25 -9.87 55.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.871 0.367 . . . . 0.0 110.757 179.675 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' J' J ' 10' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -117.96 -9.41 10.6 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.149 179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' J' J ' 11' ' ' LEU . . . . . 0.707 ' HG ' ' HA2' ' J' ' 8' ' ' GLY . 34.9 mt -69.18 -29.82 67.88 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 177.046 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' J' J ' 12' ' ' VAL . . . . . 0.622 ' HB ' ' CZ ' ' J' ' 24' ' ' PHE . 11.1 m -68.74 -32.5 55.18 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 CA-C-N 114.701 -1.136 . . . . 0.0 109.774 177.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' J' J ' 13' ' ' GLU . . . . . 0.945 ' HG3' ' HG ' ' L' ' 9' ' ' SER . 29.9 tt0 -64.32 -33.88 76.86 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 179.272 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' J' J ' 14' ' ' ALA . . . . . 0.641 ' HB3' ' HG ' ' D' ' 17' ' ' LEU . . . -72.33 -48.86 38.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.832 177.76 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' J' J ' 15' ' ' LEU . . . . . 0.645 HD22 HD21 ' I' ' 16' ' ' LEU . 93.9 mt -59.16 -35.89 74.32 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.463 0.649 . . . . 0.0 109.905 178.715 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' J' J ' 16' ' ' TYR . . . . . 0.712 ' HE1' ' HA ' ' L' ' 5' ' ' HIS . 2.1 t80 -56.38 -40.27 74.3 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.681 -1.145 . . . . 0.0 110.302 179.623 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' J' J ' 17' ' ' LEU . . . . . 0.648 ' HG ' ' HB3' ' D' ' 14' ' ' ALA . 4.1 mm? -74.36 -43.88 54.69 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.396 179.179 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 57.5 t -59.98 -48.1 89.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.158 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' J' J ' 19' ' ' CYS . . . . . 0.466 ' HB3' ' HB3' ' J' ' 22' ' ' ARG . 79.0 m -79.43 -32.22 42.77 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.772 -179.428 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' J' J ' 20' ' ' GLY . . . . . 0.43 ' HA2' ' HE1' ' L' ' 5' ' ' HIS . . . 74.72 -136.15 20.39 Favored Glycine 0 N--CA 1.448 -0.551 0 N-CA-C 110.372 -1.091 . . . . 0.0 110.372 -178.626 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' J' J ' 21' ' ' GLU . . . . . 0.403 ' HG3' ' HG1' ' L' ' 30' ' ' THR . 22.2 mm-40 -86.93 57.99 4.82 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 178.352 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' J' J ' 22' ' ' ARG . . . . . 0.466 ' HB3' ' HB3' ' J' ' 19' ' ' CYS . 31.9 ttt180 -119.7 -49.13 2.35 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.105 -178.536 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' J' J ' 23' ' ' GLY . . . . . 0.863 ' HA2' ' HD2' ' L' ' 28' ' ' PRO . . . 111.81 178.87 20.06 Favored Glycine 0 N--CA 1.444 -0.776 0 CA-C-N 115.164 -0.925 . . . . 0.0 111.126 -178.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' J' J ' 24' ' ' PHE . . . . . 0.622 ' CZ ' ' HB ' ' J' ' 12' ' ' VAL . 1.5 p90 -166.79 164.86 16.53 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-O 121.127 0.489 . . . . 0.0 110.956 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' J' J ' 25' ' ' PHE . . . . . . . . . . . . . 11.6 p90 -121.99 127.53 50.42 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 177.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' J' J ' 26' ' ' TYR . . . . . 0.481 ' CD2' ' HD3' ' J' ' 28' ' ' PRO . 24.8 t80 -130.3 121.23 25.67 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.489 -178.36 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' J' J ' 27' ' ' THR . . . . . 0.415 ' HA ' ' HA3' ' L' ' 23' ' ' GLY . 1.4 p -126.55 78.34 72.46 Favored Pre-proline 0 CA--C 1.537 0.471 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 -178.474 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' J' J ' 28' ' ' PRO . . . . . 0.878 ' HD2' ' HA2' ' L' ' 23' ' ' GLY . 89.6 Cg_endo -80.91 135.89 10.22 Favored 'Trans proline' 0 N--CA 1.46 -0.452 0 C-N-CA 122.276 1.984 . . . . 0.0 110.28 177.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' J' J ' 29' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -153.6 127.78 9.08 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.294 -0.562 . . . . 0.0 112.263 -178.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' J' J ' 30' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 C--O 1.247 0.962 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 178.145 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.948 0 N-CA-C 112.278 -0.329 . . . . 0.0 112.278 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' K' K ' 2' ' ' ILE . . . . . 0.435 HG21 ' H ' ' K' ' 3' ' ' VAL . 7.0 tt -59.17 -41.34 83.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.108 0.48 . . . . 0.0 111.517 -179.568 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' K' K ' 3' ' ' VAL . . . . . 0.463 HG12 ' HB3' ' L' ' 28' ' ' PRO . 40.3 t -60.92 -30.71 48.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.212 -179.518 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' K' K ' 4' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -74.56 -73.1 0.25 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.536 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' K' K ' 5' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -51.28 -43.48 61.6 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 -178.063 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' K' K ' 6' ' ' CYS . . . . . . . . . . . . . 79.0 m -73.56 -24.82 60.15 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 -178.115 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' K' K ' 7' ' ' CYS . . . . . . . . . . . . . 9.0 t -107.43 18.24 21.79 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.514 -0.474 . . . . 0.0 111.118 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' K' K ' 8' ' ' THR . . . . . . . . . . . . . 14.2 t -119.75 -44.06 2.55 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 120.581 -0.448 . . . . 0.0 110.195 178.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' K' K ' 9' ' ' SER . . . . . 0.44 ' O ' ' HB ' ' K' ' 10' ' ' ILE . 62.3 m -144.17 21.25 1.74 Allowed 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 179.448 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' K' K ' 10' ' ' ILE . . . . . 0.728 HG13 HG13 ' H' ' 2' ' ' VAL . 55.9 mt 70.77 140.62 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 CA-C-O 121.247 0.546 . . . . 0.0 112.294 178.278 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' K' K ' 11' ' ' CYS . . . . . . . . . . . . . 94.9 m -105.31 150.32 25.28 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.643 178.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' K' K ' 12' ' ' SER . . . . . . . . . . . . . 33.3 t -77.68 157.78 29.99 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 178.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' K' K ' 13' ' ' LEU . . . . . 0.442 ' O ' ' HG3' ' K' ' 17' ' ' GLU . 58.2 tp -52.63 -46.77 67.23 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.932 0.396 . . . . 0.0 111.312 -179.811 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -64.15 -31.97 73.37 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.582 -179.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' K' K ' 15' ' ' GLN . . . . . 0.497 ' O ' ' HB3' ' K' ' 18' ' ' ASN . 87.3 mt-30 -71.65 -36.46 70.71 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.943 0.401 . . . . 0.0 110.048 179.054 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' K' K ' 16' ' ' LEU . . . . . 0.648 HD21 HD22 ' L' ' 15' ' ' LEU . 87.8 mt -69.71 -39.4 76.88 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.734 179.811 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' K' K ' 17' ' ' GLU . . . . . 0.442 ' HG3' ' O ' ' K' ' 13' ' ' LEU . 40.9 mt-10 -61.95 -27.59 68.94 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 121.098 0.475 . . . . 0.0 110.415 179.19 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' K' K ' 18' ' ' ASN . . . . . 0.497 ' HB3' ' O ' ' K' ' 15' ' ' GLN . 9.5 t30 -60.36 -28.62 68.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.404 -0.817 . . . . 0.0 110.674 179.546 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' K' K ' 19' ' ' TYR . . . . . 0.427 ' CE1' ' HB ' ' K' ' 2' ' ' ILE . 83.0 m-85 -94.9 -86.39 0.29 Allowed 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 178.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' K' K ' 20' ' ' CYS . . . . . . . . . . . . . 16.2 t 54.32 -113.35 0.78 Allowed 'General case' 0 CA--C 1.533 0.321 0 O-C-N 123.764 0.665 . . . . 0.0 110.496 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' K' K ' 21' ' ' ASN . . . . . 0.616 ' HB2' ' HA ' ' L' ' 24' ' ' PHE . 15.0 t30 . . . . . 0 C--O 1.244 0.801 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 179.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' L' L ' 1' ' ' PHE . . . . . . . . . . . . . 2.2 p90 . . . . . 0 N--CA 1.48 1.065 0 CA-C-O 121.376 0.608 . . . . 0.0 111.248 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' L' L ' 2' ' ' VAL . . . . . 0.714 HG13 HG13 ' C' ' 10' ' ' ILE . 15.8 m -131.22 95.8 2.45 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 CA-C-O 121.775 0.798 . . . . 0.0 110.459 179.529 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' L' L ' 3' ' ' ASN . . . . . 0.553 ' O ' ' HB3' ' L' ' 7' ' ' CYS . 41.9 t30 -155.41 -52.22 0.09 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.088 -179.634 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' L' L ' 4' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -58.88 -38.71 79.46 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.222 179.173 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' L' L ' 5' ' ' HIS . . . . . 0.712 ' HA ' ' HE1' ' J' ' 16' ' ' TYR . 7.8 t60 -77.39 -27.28 52.41 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.589 -179.428 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' L' L ' 6' ' ' LEU . . . . . 0.736 HD12 ' HB2' ' D' ' 7' ' ' CYS . 35.0 mt -89.2 -59.49 2.2 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.762 0.791 . . . . 0.0 110.627 -178.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' L' L ' 7' ' ' CYS . . . . . 0.738 ' HB2' HD12 ' H' ' 6' ' ' LEU . 0.0 OUTLIER -62.92 -48.16 80.12 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 114.533 -1.212 . . . . 0.0 110.874 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' L' L ' 8' ' ' GLY . . . . . 0.71 ' HA2' ' HG ' ' L' ' 11' ' ' LEU . . . -59.33 -30.19 67.38 Favored Glycine 0 C--N 1.331 0.283 0 C-N-CA 120.936 -0.649 . . . . 0.0 112.748 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' L' L ' 9' ' ' SER . . . . . 0.945 ' HG ' ' HG3' ' J' ' 13' ' ' GLU . 0.3 OUTLIER -69.31 -9.86 55.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.977 0.417 . . . . 0.0 110.686 179.584 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' L' L ' 10' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -118.17 -9.1 10.55 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.177 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' L' L ' 11' ' ' LEU . . . . . 0.71 ' HG ' ' HA2' ' L' ' 8' ' ' GLY . 36.3 mt -69.4 -30.16 68.06 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 107.041 -1.466 . . . . 0.0 107.041 177.129 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' L' L ' 12' ' ' VAL . . . . . 0.631 ' HB ' ' CZ ' ' L' ' 24' ' ' PHE . 11.0 m -68.51 -32.58 55.91 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.388 0 CA-C-N 114.484 -1.234 . . . . 0.0 109.815 177.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' L' L ' 13' ' ' GLU . . . . . 0.944 ' HG3' ' HG ' ' J' ' 9' ' ' SER . 30.1 tt0 -64.35 -33.86 76.82 Favored 'General case' 0 C--O 1.232 0.154 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 179.094 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' L' L ' 14' ' ' ALA . . . . . 0.634 ' HB3' ' HG ' ' F' ' 17' ' ' LEU . . . -72.34 -49.23 35.84 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.642 177.8 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' L' L ' 15' ' ' LEU . . . . . 0.648 HD22 HD21 ' K' ' 16' ' ' LEU . 96.4 mt -58.67 -36.26 73.88 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.925 178.718 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' L' L ' 16' ' ' TYR . . . . . 0.724 ' HE1' ' HA ' ' J' ' 5' ' ' HIS . 2.1 t80 -55.98 -41.19 74.39 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.766 -1.107 . . . . 0.0 110.298 179.645 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' L' L ' 17' ' ' LEU . . . . . 0.644 ' HG ' ' HB3' ' F' ' 14' ' ' ALA . 4.0 mm? -73.09 -43.92 61.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.594 179.091 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 55.5 t -60.32 -48.01 89.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.257 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' L' L ' 19' ' ' CYS . . . . . 0.462 ' HB3' ' HB3' ' L' ' 22' ' ' ARG . 77.6 m -79.43 -32.06 42.73 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.712 -179.365 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' L' L ' 20' ' ' GLY . . . . . 0.41 ' HA2' ' HE1' ' J' ' 5' ' ' HIS . . . 74.98 -135.12 18.34 Favored Glycine 0 N--CA 1.45 -0.432 0 N-CA-C 110.62 -0.992 . . . . 0.0 110.62 -178.717 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' L' L ' 21' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -87.7 56.4 3.89 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 178.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' L' L ' 22' ' ' ARG . . . . . 0.462 ' HB3' ' HB3' ' L' ' 19' ' ' CYS . 32.4 ttt180 -118.46 -49.24 2.47 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.995 -1.002 . . . . 0.0 110.234 -178.651 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' L' L ' 23' ' ' GLY . . . . . 0.878 ' HA2' ' HD2' ' J' ' 28' ' ' PRO . . . 112.12 179.18 19.87 Favored Glycine 0 N--CA 1.443 -0.859 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.289 -179.041 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' L' L ' 24' ' ' PHE . . . . . 0.631 ' CZ ' ' HB ' ' L' ' 12' ' ' VAL . 1.6 p90 -167.08 164.64 15.84 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-O 121.012 0.434 . . . . 0.0 111.047 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' L' L ' 25' ' ' PHE . . . . . 0.4 ' CE1' ' HA ' ' K' ' 21' ' ' ASN . 12.8 p90 -121.87 128.82 52.04 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 177.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' L' L ' 26' ' ' TYR . . . . . 0.487 ' CD2' ' HD3' ' L' ' 28' ' ' PRO . 25.3 t80 -131.6 121.31 24.16 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.526 -0.307 . . . . 0.0 110.267 -178.309 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' L' L ' 27' ' ' THR . . . . . 0.411 ' HA ' ' HA3' ' J' ' 23' ' ' GLY . 1.6 p -126.79 78.48 73.28 Favored Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -178.472 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' L' L ' 28' ' ' PRO . . . . . 0.863 ' HD2' ' HA2' ' J' ' 23' ' ' GLY . 83.1 Cg_endo -81.09 135.54 9.82 Favored 'Trans proline' 0 N--CA 1.459 -0.525 0 C-N-CA 122.612 2.208 . . . . 0.0 110.147 177.614 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' L' L ' 29' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -153.77 125.91 7.9 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.198 -0.601 . . . . 0.0 112.378 -178.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' L' L ' 30' ' ' THR . . . . . 0.403 ' HG1' ' HG3' ' J' ' 21' ' ' GLU . 1.4 p . . . . . 0 C--O 1.247 0.962 0 CA-C-N 115.386 -0.825 . . . . 0.0 108.976 178.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' IPH . . . . . 0.695 ' H6 ' HG12 ' A' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 22' ' ' IPH . . . . . 0.686 ' H6 ' HG12 ' C' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 22' ' ' IPH . . . . . 0.688 ' H6 ' HG12 ' E' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 22' ' ' IPH . . . . . 0.688 ' H6 ' HG12 ' G' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 22' ' ' IPH . . . . . 0.679 ' H6 ' HG12 ' I' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' K' K ' 22' ' ' IPH . . . . . 0.68 ' H6 ' HG12 ' K' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.451 ' HA3' ' O ' ' B' ' 29' ' ' LYS . . . . . . . . 0 N--CA 1.486 1.992 0 N-CA-C 112.739 -0.145 . . . . 0.0 112.739 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.421 HG21 ' H ' ' A' ' 3' ' ' VAL . 5.1 tt -49.82 -43.21 19.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.693 HG22 ' HA ' ' B' ' 28' ' ' PRO . 21.8 t -53.03 -55.17 13.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.704 -179.475 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -62.05 -42.37 99.11 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.689 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -57.14 -42.5 81.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.304 0.574 . . . . 0.0 111.104 179.143 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 10' ' ' ILE . 82.6 m -88.63 2.35 53.33 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.366 -179.229 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 9.9 t -112.82 -20.03 11.77 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.811 0.338 . . . . 0.0 111.257 -179.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.6 t -75.93 -23.18 55.45 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.638 -179.146 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.1 t -163.01 12.69 0.06 Allowed 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.967 -0.293 . . . . 0.0 111.24 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.402 ' HA ' ' O ' ' A' ' 6' ' ' CYS . 2.4 mp 65.14 118.47 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 CA-C-O 121.417 0.627 . . . . 0.0 111.191 -179.736 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.417 ' HB2' HD22 ' A' ' 16' ' ' LEU . 64.2 m -71.59 141.79 50.02 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.672 179.46 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.0 t -80.64 166.38 21.14 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 177.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.6 mp -61.01 -33.34 73.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.119 0.485 . . . . 0.0 110.102 179.449 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -68.33 -18.42 64.49 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.156 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -94.13 -40.16 10.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.925 0.393 . . . . 0.0 110.39 179.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.562 HD23 HD22 ' B' ' 15' ' ' LEU . 83.3 mt -66.08 -31.84 72.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.615 179.759 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.21 -30.32 64.47 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.356 179.573 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -61.41 -23.49 65.85 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.104 179.354 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -109.16 8.78 26.07 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.701 -177.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.9 t -78.61 151.93 32.08 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.762 0.315 . . . . 0.0 110.92 -179.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.351 -0.833 . . . . 0.0 110.674 -179.517 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 53.2 t80 . . . . . 0 N--CA 1.478 0.952 0 N-CA-C 111.64 0.237 . . . . 0.0 111.64 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . 0.49 ' O ' ' HG ' ' B' ' 6' ' ' LEU . 16.9 m -72.87 -39.6 59.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 120.451 -0.5 . . . . 0.0 111.519 -178.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . 0.55 ' O ' ' HB3' ' B' ' 7' ' ' CYS . 30.6 m-20 -72.95 -4.76 34.17 Favored 'General case' 0 C--O 1.219 -0.545 0 CA-C-O 121.337 0.589 . . . . 0.0 109.983 178.75 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . 0.603 ' HG3' HG13 ' A' ' 3' ' ' VAL . 27.9 tt0 -71.57 -17.33 62.31 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 177.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . 0.438 ' HA ' ' HE2' ' D' ' 16' ' ' TYR . 33.8 t60 -113.83 -2.27 13.69 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.989 178.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.735 HD12 ' SG ' ' J' ' 7' ' ' CYS . 7.6 mt -114.08 -40.32 3.73 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.421 0.629 . . . . 0.0 110.017 -179.378 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . 0.746 ' SG ' HD12 ' F' ' 6' ' ' LEU . 0.5 OUTLIER -88.02 -33.33 18.4 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 177.683 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . 0.502 ' HA2' HD13 ' B' ' 11' ' ' LEU . . . -61.81 -26.66 67.3 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.517 -0.765 . . . . 0.0 112.645 178.761 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.89 10.03 3.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.868 0.366 . . . . 0.0 111.693 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 38.8 m-70 -113.56 -39.42 4.07 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.417 0.627 . . . . 0.0 109.319 178.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.502 HD13 ' HA2' ' B' ' 8' ' ' GLY . 0.1 OUTLIER -64.72 -25.24 67.85 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.076 179.177 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.789 HG22 HG22 ' D' ' 12' ' ' VAL . 5.9 m -60.87 -49.33 85.06 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -179.425 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.84 ' HA ' ' HE1' ' B' ' 16' ' ' TYR . 64.4 tt0 -66.35 -33.66 76.22 Favored 'General case' 0 CA--C 1.52 -0.178 0 C-N-CA 120.424 -0.51 . . . . 0.0 110.448 -179.428 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.11 -39.81 78.73 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 179.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.562 HD22 HD23 ' A' ' 16' ' ' LEU . 11.9 mt -57.46 -54.9 41.57 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.965 -0.561 . . . . 0.0 112.236 -179.574 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . 0.913 ' HB2' ' HG3' ' D' ' 28' ' ' PRO . 3.8 p90 -79.64 3.35 19.34 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 119.68 -0.808 . . . . 0.0 111.154 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.656 HD13 ' H3 ' ' G' ' 22' ' ' IPH . 5.3 tt -88.32 -44.6 10.68 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 177.581 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 90.5 t -64.85 -40.63 89.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.732 178.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . 0.804 ' HB3' ' HB2' ' B' ' 22' ' ' ARG . 97.1 m -77.8 -21.52 51.5 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.039 179.607 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 70.24 -100.56 0.8 Allowed Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.235 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -98.21 -0.69 43.67 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.437 0.637 . . . . 0.0 109.767 179.277 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . 0.804 ' HB2' ' HB3' ' B' ' 19' ' ' CYS . 43.5 mtp85 -86.07 151.48 23.66 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.365 178.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . 0.704 ' HA2' ' HD2' ' D' ' 28' ' ' PRO . . . -89.57 -167.39 42.53 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.328 -0.939 . . . . 0.0 112.438 -179.777 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' PHE . . . . . 0.734 ' CE1' ' HB3' ' B' ' 16' ' ' TYR . 18.7 p90 -168.16 170.65 10.07 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-O 121.23 0.538 . . . . 0.0 110.939 179.778 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . 0.541 ' HD1' ' HD1' ' D' ' 25' ' ' PHE . 40.1 m-85 -109.92 135.0 51.47 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.185 179.382 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.456 ' CE2' HG11 ' B' ' 12' ' ' VAL . 21.2 t80 -132.77 122.27 24.27 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.464 -179.639 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' THR . . . . . 0.579 HG21 ' HA3' ' D' ' 23' ' ' GLY . 1.7 p -128.83 99.36 22.69 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.5 -179.438 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . 0.906 ' HG3' ' HB2' ' D' ' 16' ' ' TYR . 96.5 Cg_endo -78.9 50.94 3.64 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.995 2.463 . . . . 0.0 112.241 179.537 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.451 ' O ' ' HA3' ' A' ' 1' ' ' GLY . 20.7 ptmt -109.36 157.95 18.39 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.771 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 25.8 m . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.628 -0.701 . . . . 0.0 110.317 -179.878 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 1' ' ' GLY . . . . . 0.438 ' HA3' ' O ' ' D' ' 29' ' ' LYS . . . . . . . . 0 N--CA 1.488 2.107 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 5.0 tt -49.92 -42.54 18.89 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 N-CA-C 112.789 0.663 . . . . 0.0 112.789 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 3' ' ' VAL . . . . . 0.682 HG22 ' HA ' ' D' ' 28' ' ' PRO . 21.8 t -53.46 -55.64 12.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -179.558 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -61.74 -42.02 98.43 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.847 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -57.76 -41.09 81.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.065 179.139 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 80.5 m -89.96 2.01 55.61 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -179.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 7' ' ' CYS . . . . . . . . . . . . . 9.5 t -112.26 -19.48 12.21 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.906 0.384 . . . . 0.0 111.265 -179.552 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 12.4 t -75.53 -25.77 57.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.376 -179.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 27.1 t -160.68 12.1 0.1 Allowed 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 121.013 -0.275 . . . . 0.0 111.447 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 2.4 mp 66.09 117.68 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 CA-C-O 121.645 0.736 . . . . 0.0 111.174 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 11' ' ' CYS . . . . . 0.414 ' HB2' HD22 ' C' ' 16' ' ' LEU . 65.9 m -71.08 141.0 50.85 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.566 179.645 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 34.1 t -80.58 165.87 21.66 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 177.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 9.3 mp -60.39 -31.48 70.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.047 0.451 . . . . 0.0 110.523 179.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -70.89 -17.61 62.7 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.98 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -94.88 -39.03 10.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.902 0.382 . . . . 0.0 110.358 179.112 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 16' ' ' LEU . . . . . 0.572 HD23 HD22 ' D' ' 15' ' ' LEU . 88.5 mt -67.33 -31.17 71.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.087 0.47 . . . . 0.0 110.472 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.86 -30.03 65.47 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.341 179.671 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -61.64 -24.61 66.84 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.949 179.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -107.88 8.62 28.68 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.819 -177.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 8.1 t -79.46 149.59 31.51 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.755 -179.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 . . . . . 0 C--O 1.252 1.187 0 CA-C-O 118.287 -0.863 . . . . 0.0 110.424 -179.794 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 53.0 t80 . . . . . 0 N--CA 1.48 1.038 0 N-CA-C 111.641 0.237 . . . . 0.0 111.641 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 2' ' ' VAL . . . . . 0.511 ' O ' ' HG ' ' D' ' 6' ' ' LEU . 15.1 m -74.14 -39.48 50.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 120.37 -0.532 . . . . 0.0 111.326 -179.122 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 3' ' ' ASN . . . . . 0.551 ' O ' ' HB3' ' D' ' 7' ' ' CYS . 23.9 m-20 -72.41 -4.48 30.42 Favored 'General case' 0 C--O 1.217 -0.632 0 CA-C-O 121.351 0.596 . . . . 0.0 110.064 178.388 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 4' ' ' GLN . . . . . 0.601 ' HG3' HG13 ' C' ' 3' ' ' VAL . 29.6 tt0 -72.41 -17.41 61.8 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 178.103 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 5' ' ' HIS . . . . . 0.439 ' HA ' ' HE2' ' B' ' 16' ' ' TYR . 35.2 t60 -113.72 -2.38 13.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.984 178.787 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 6' ' ' LEU . . . . . 0.74 HD12 ' SG ' ' H' ' 7' ' ' CYS . 7.6 mt -113.89 -39.72 3.91 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.419 0.628 . . . . 0.0 110.015 -179.3 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 7' ' ' CYS . . . . . 0.745 ' SG ' HD12 ' L' ' 6' ' ' LEU . 0.3 OUTLIER -88.95 -33.1 17.35 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 177.924 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' D' D ' 8' ' ' GLY . . . . . 0.498 ' HA2' HD13 ' D' ' 11' ' ' LEU . . . -61.92 -26.42 67.18 Favored Glycine 0 N--CA 1.449 -0.45 0 CA-C-N 115.555 -0.748 . . . . 0.0 112.594 178.612 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.4 10.71 2.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.936 0.398 . . . . 0.0 111.748 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 10' ' ' HIS . . . . . . . . . . . . . 37.4 m-70 -114.16 -39.33 3.92 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 178.164 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 11' ' ' LEU . . . . . 0.498 HD13 ' HA2' ' D' ' 8' ' ' GLY . 0.1 OUTLIER -64.84 -25.56 67.95 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.922 179.286 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . 0.789 HG22 HG22 ' B' ' 12' ' ' VAL . 6.2 m -60.54 -49.18 85.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 112.978 0.732 . . . . 0.0 112.978 -179.435 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 13' ' ' GLU . . . . . 0.852 ' HA ' ' HE1' ' D' ' 16' ' ' TYR . 64.2 tt0 -66.58 -33.34 75.46 Favored 'General case' 0 CA--C 1.52 -0.182 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.357 -179.289 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.52 -39.62 77.44 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.763 179.164 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 15' ' ' LEU . . . . . 0.572 HD22 HD23 ' C' ' 16' ' ' LEU . 12.1 mt -57.62 -54.53 45.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.369 -179.645 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 16' ' ' TYR . . . . . 0.906 ' HB2' ' HG3' ' B' ' 28' ' ' PRO . 3.5 p90 -80.28 3.98 19.19 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 119.55 -0.86 . . . . 0.0 111.032 -179.728 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . 0.626 HD13 ' H3 ' ' I' ' 22' ' ' IPH . 5.3 tt -88.92 -44.96 10.06 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 177.666 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 87.9 t -64.79 -39.99 87.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.659 178.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 19' ' ' CYS . . . . . 0.791 ' HB3' ' HB2' ' D' ' 22' ' ' ARG . 93.8 m -78.35 -20.94 50.27 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.031 179.604 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.61 -100.77 0.77 Allowed Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 121.079 -0.581 . . . . 0.0 112.264 179.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -98.33 0.25 45.13 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.386 0.612 . . . . 0.0 109.886 179.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 22' ' ' ARG . . . . . 0.791 ' HB2' ' HB3' ' D' ' 19' ' ' CYS . 42.9 mtp85 -87.01 152.58 22.26 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.24 178.696 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 23' ' ' GLY . . . . . 0.703 ' HA2' ' HD2' ' B' ' 28' ' ' PRO . . . -90.53 -167.87 42.02 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.526 -0.845 . . . . 0.0 112.294 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 24' ' ' PHE . . . . . 0.728 ' CE1' ' HB3' ' D' ' 16' ' ' TYR . 16.8 p90 -167.79 170.67 10.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.273 0.558 . . . . 0.0 110.759 179.749 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 25' ' ' PHE . . . . . 0.541 ' HD1' ' HD1' ' B' ' 25' ' ' PHE . 40.0 m-85 -109.36 136.7 48.36 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.161 -0.927 . . . . 0.0 108.994 179.153 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 26' ' ' TYR . . . . . 0.477 ' CE2' HG11 ' D' ' 12' ' ' VAL . 20.7 t80 -134.61 120.26 19.37 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.624 -179.638 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 27' ' ' THR . . . . . 0.598 HG21 ' HA3' ' B' ' 23' ' ' GLY . 3.0 p -126.76 100.13 28.52 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-O 120.941 0.401 . . . . 0.0 111.755 -179.767 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 28' ' ' PRO . . . . . 0.913 ' HG3' ' HB2' ' B' ' 16' ' ' TYR . 94.2 Cg_endo -78.93 50.71 3.56 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.897 2.398 . . . . 0.0 112.07 179.556 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 29' ' ' LYS . . . . . 0.438 ' O ' ' HA3' ' C' ' 1' ' ' GLY . 20.3 ptmt -109.15 157.11 19.08 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.101 179.751 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 24.8 m . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.562 -0.733 . . . . 0.0 110.142 -179.828 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.182 0 N-CA-C 112.727 -0.149 . . . . 0.0 112.727 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' E' E ' 2' ' ' ILE . . . . . 0.407 HG21 ' H ' ' E' ' 3' ' ' VAL . 4.9 tt -50.38 -42.48 21.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 3' ' ' VAL . . . . . 0.654 HG22 ' HA ' ' F' ' 28' ' ' PRO . 21.8 t -53.54 -54.87 16.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 111.743 0.275 . . . . 0.0 111.743 -179.645 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 4' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -62.35 -42.33 99.31 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.722 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -56.94 -42.7 80.55 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.402 0.62 . . . . 0.0 110.998 179.218 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 6' ' ' CYS . . . . . . . . . . . . . 86.5 m -88.63 2.31 53.41 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.052 -0.522 . . . . 0.0 112.333 -179.016 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 7' ' ' CYS . . . . . . . . . . . . . 9.3 t -112.04 -20.96 11.77 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.86 0.362 . . . . 0.0 111.188 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 8.9 t -74.6 -24.49 58.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.697 -179.137 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 9' ' ' SER . . . . . . . . . . . . . 22.8 t -161.06 10.09 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 121.074 -0.25 . . . . 0.0 111.449 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 10' ' ' ILE . . . . . . . . . . . . . 2.4 mp 67.84 119.11 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 CA-C-O 121.36 0.6 . . . . 0.0 110.893 -179.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 11' ' ' CYS . . . . . 0.403 ' HB2' HD22 ' E' ' 16' ' ' LEU . 61.9 m -72.92 140.33 47.4 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.434 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 12' ' ' SER . . . . . . . . . . . . . 34.7 t -79.58 165.61 22.76 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 177.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 9.5 mp -60.18 -32.63 71.25 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.084 0.469 . . . . 0.0 110.448 179.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -69.61 -16.54 63.41 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.483 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -96.02 -38.78 10.07 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.857 0.361 . . . . 0.0 110.206 179.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 16' ' ' LEU . . . . . 0.587 HD23 HD22 ' F' ' 15' ' ' LEU . 85.8 mt -67.6 -31.17 71.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.466 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.86 -29.43 64.99 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.482 179.608 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 18' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -61.71 -26.51 68.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.896 179.518 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 19' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -106.31 9.24 32.01 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.949 -177.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 20' ' ' CYS . . . . . . . . . . . . . 8.1 t -79.22 151.81 30.99 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.832 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 21' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.301 -0.857 . . . . 0.0 110.517 -179.732 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' F' F ' 1' ' ' PHE . . . . . 0.402 ' O ' ' HB3' ' F' ' 4' ' ' GLN . 51.6 t80 . . . . . 0 N--CA 1.482 1.139 0 N-CA-C 111.607 0.225 . . . . 0.0 111.607 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 2' ' ' VAL . . . . . 0.5 ' O ' ' HG ' ' F' ' 6' ' ' LEU . 17.1 m -72.15 -40.52 66.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 120.664 -0.414 . . . . 0.0 111.438 -179.131 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' F' F ' 3' ' ' ASN . . . . . 0.546 ' O ' ' HB3' ' F' ' 7' ' ' CYS . 24.5 m-20 -71.52 -5.31 32.17 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-O 121.151 0.5 . . . . 0.0 110.026 178.52 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' F' F ' 4' ' ' GLN . . . . . 0.633 ' HG3' HG13 ' E' ' 3' ' ' VAL . 28.4 tt0 -71.6 -17.71 62.26 Favored 'General case' 0 C--N 1.315 -0.911 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 178.138 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' F' F ' 5' ' ' HIS . . . . . 0.433 ' HA ' ' HE2' ' H' ' 16' ' ' TYR . 34.4 t60 -113.31 -2.44 14.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.082 178.759 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' F' F ' 6' ' ' LEU . . . . . 0.746 HD12 ' SG ' ' B' ' 7' ' ' CYS . 7.8 mt -113.89 -41.0 3.63 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.398 0.618 . . . . 0.0 109.962 -179.365 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' F' F ' 7' ' ' CYS . . . . . 0.732 ' SG ' HD12 ' J' ' 6' ' ' LEU . 0.4 OUTLIER -87.21 -33.53 19.3 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.262 -0.881 . . . . 0.0 108.725 177.643 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' F' F ' 8' ' ' GLY . . . . . 0.503 ' HA2' HD13 ' F' ' 11' ' ' LEU . . . -61.95 -26.29 67.07 Favored Glycine 0 N--CA 1.45 -0.421 0 CA-C-N 115.468 -0.787 . . . . 0.0 112.77 178.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' F' F ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.43 10.36 3.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.066 0.46 . . . . 0.0 111.663 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' F' F ' 10' ' ' HIS . . . . . . . . . . . . . 37.7 m-70 -113.74 -39.67 3.96 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 178.091 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 11' ' ' LEU . . . . . 0.503 HD13 ' HA2' ' F' ' 8' ' ' GLY . 0.1 OUTLIER -64.45 -25.44 68.01 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.979 179.257 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' F' F ' 12' ' ' VAL . . . . . 0.787 HG22 HG22 ' H' ' 12' ' ' VAL . 5.7 m -60.69 -49.3 85.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -179.244 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' F' F ' 13' ' ' GLU . . . . . 0.848 ' HA ' ' HE1' ' F' ' 16' ' ' TYR . 65.0 tt0 -66.2 -34.01 77.05 Favored 'General case' 0 CA--C 1.522 -0.117 0 C-N-CA 120.661 -0.415 . . . . 0.0 110.509 -179.453 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' F' F ' 14' ' ' ALA . . . . . 0.402 ' O ' HG22 ' F' ' 18' ' ' VAL . . . -68.82 -39.98 79.73 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.926 179.006 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' F' F ' 15' ' ' LEU . . . . . 0.587 HD22 HD23 ' E' ' 16' ' ' LEU . 12.0 mt -57.41 -54.87 41.88 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.996 -0.547 . . . . 0.0 112.196 -179.664 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' F' F ' 16' ' ' TYR . . . . . 0.913 ' HB2' ' HG3' ' H' ' 28' ' ' PRO . 3.5 p90 -79.76 3.62 18.89 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 119.669 -0.812 . . . . 0.0 111.335 -179.695 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' F' F ' 17' ' ' LEU . . . . . 0.64 HD13 ' H3 ' ' K' ' 22' ' ' IPH . 5.3 tt -88.58 -45.41 9.91 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 107.784 -1.191 . . . . 0.0 107.784 177.483 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . 0.402 HG22 ' O ' ' F' ' 14' ' ' ALA . 93.4 t -64.3 -40.57 89.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.115 -0.948 . . . . 0.0 109.725 178.578 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' F' F ' 19' ' ' CYS . . . . . 0.809 ' HB3' ' HB2' ' F' ' 22' ' ' ARG . 91.8 m -77.95 -20.7 52.26 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.659 -0.701 . . . . 0.0 111.002 179.508 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' F' F ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.15 -102.53 0.94 Allowed Glycine 0 N--CA 1.453 -0.208 0 C-N-CA 120.909 -0.663 . . . . 0.0 111.96 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 21' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -96.25 -0.93 49.08 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.167 0.508 . . . . 0.0 109.987 179.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 22' ' ' ARG . . . . . 0.809 ' HB2' ' HB3' ' F' ' 19' ' ' CYS . 43.5 mtp85 -85.76 152.64 22.88 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.513 178.804 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' F' F ' 23' ' ' GLY . . . . . 0.694 ' HA2' ' HD2' ' H' ' 28' ' ' PRO . . . -90.57 -167.49 41.74 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.336 -0.935 . . . . 0.0 112.394 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' F' F ' 24' ' ' PHE . . . . . 0.725 ' CE1' ' HB3' ' F' ' 16' ' ' TYR . 17.7 p90 -168.07 171.25 9.74 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-O 121.236 0.541 . . . . 0.0 110.917 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' F' F ' 25' ' ' PHE . . . . . 0.549 ' HD1' ' HD1' ' H' ' 25' ' ' PHE . 40.4 m-85 -110.32 135.71 50.63 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.239 -0.891 . . . . 0.0 109.189 179.338 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' F' F ' 26' ' ' TYR . . . . . 0.475 ' CE2' HG11 ' F' ' 12' ' ' VAL . 21.9 t80 -133.1 121.76 23.11 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.52 -179.681 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' F' F ' 27' ' ' THR . . . . . 0.576 HG21 ' HA3' ' H' ' 23' ' ' GLY . 1.6 p -128.32 99.81 23.82 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.497 -179.596 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' F' F ' 28' ' ' PRO . . . . . 0.884 ' HG3' ' HB2' ' H' ' 16' ' ' TYR . 94.0 Cg_endo -79.2 50.34 3.46 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.97 2.447 . . . . 0.0 112.199 179.601 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' F' F ' 29' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -107.91 159.68 16.34 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.907 179.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 30' ' ' THR . . . . . . . . . . . . . 31.8 m . . . . . 0 C--O 1.247 0.969 0 CA-C-O 118.464 -0.779 . . . . 0.0 110.242 -179.863 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' G' G ' 1' ' ' GLY . . . . . 0.453 ' HA3' ' O ' ' H' ' 29' ' ' LYS . . . . . . . . 0 N--CA 1.487 2.098 0 CA-C-O 120.81 0.117 . . . . 0.0 112.914 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 2' ' ' ILE . . . . . . . . . . . . . 4.9 tt -51.47 -42.79 29.53 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 3' ' ' VAL . . . . . 0.693 HG22 ' HA ' ' H' ' 28' ' ' PRO . 22.1 t -53.34 -55.05 14.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 120.695 0.283 . . . . 0.0 111.687 -179.628 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' G' G ' 4' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -62.24 -42.27 99.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.659 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 5' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -57.24 -41.77 80.21 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.403 0.62 . . . . 0.0 111.042 179.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 6' ' ' CYS . . . . . . . . . . . . . 80.1 m -89.52 2.3 54.78 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.993 -0.548 . . . . 0.0 112.244 -178.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 7' ' ' CYS . . . . . . . . . . . . . 9.9 t -112.27 -20.16 11.95 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.875 0.369 . . . . 0.0 110.946 -179.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 8' ' ' THR . . . . . . . . . . . . . 10.3 t -75.88 -22.51 56.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.581 -0.282 . . . . 0.0 111.627 -179.048 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 9' ' ' SER . . . . . . . . . . . . . 18.2 t -163.69 11.6 0.05 Allowed 'General case' 0 C--N 1.328 -0.335 0 O-C-N 122.244 -0.285 . . . . 0.0 111.231 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 10' ' ' ILE . . . . . . . . . . . . . 2.4 mp 66.18 117.82 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 CA-C-O 121.378 0.608 . . . . 0.0 111.234 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 11' ' ' CYS . . . . . 0.421 ' HB2' HD22 ' G' ' 16' ' ' LEU . 65.4 m -71.09 141.78 50.83 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.44 179.519 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' G' G ' 12' ' ' SER . . . . . . . . . . . . . 48.1 t -81.53 165.8 20.84 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 177.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 13' ' ' LEU . . . . . . . . . . . . . 9.3 mp -59.65 -32.55 70.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.103 0.478 . . . . 0.0 110.485 179.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -70.06 -16.58 63.16 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.527 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -96.05 -39.31 9.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.944 0.402 . . . . 0.0 110.193 179.133 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 16' ' ' LEU . . . . . 0.573 HD23 HD22 ' H' ' 15' ' ' LEU . 85.7 mt -66.96 -30.7 70.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.504 179.71 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' G' G ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.18 -30.43 66.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.394 179.663 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' G' G ' 18' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -61.02 -25.04 66.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.672 -0.695 . . . . 0.0 112.025 179.38 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 19' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -107.56 8.68 29.39 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.931 -177.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 20' ' ' CYS . . . . . . . . . . . . . 8.1 t -79.03 150.03 32.02 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.702 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 21' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 . . . . . 0 C--O 1.246 0.896 0 CA-C-O 118.245 -0.883 . . . . 0.0 109.962 179.99 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' H' H ' 1' ' ' PHE . . . . . . . . . . . . . 53.0 t80 . . . . . 0 N--CA 1.479 1.0 0 CA-C-O 120.474 0.178 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' H' H ' 2' ' ' VAL . . . . . 0.502 ' O ' ' HG ' ' H' ' 6' ' ' LEU . 16.5 m -73.37 -39.56 55.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 C-N-CA 120.472 -0.491 . . . . 0.0 111.337 -179.258 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' H' H ' 3' ' ' ASN . . . . . 0.55 ' O ' ' HB3' ' H' ' 7' ' ' CYS . 28.3 m-20 -72.34 -5.43 36.23 Favored 'General case' 0 C--O 1.217 -0.652 0 CA-C-O 121.249 0.547 . . . . 0.0 109.995 178.448 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' H' H ' 4' ' ' GLN . . . . . 0.64 ' HG3' HG13 ' G' ' 3' ' ' VAL . 28.4 tt0 -71.59 -17.98 62.26 Favored 'General case' 0 C--N 1.313 -0.992 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 178.212 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' H' H ' 5' ' ' HIS . . . . . 0.415 ' HA ' ' HE2' ' F' ' 16' ' ' TYR . 36.4 t60 -112.8 -3.01 14.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.049 178.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' H' H ' 6' ' ' LEU . . . . . 0.739 HD12 ' SG ' ' L' ' 7' ' ' CYS . 7.6 mt -113.51 -40.27 3.88 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.519 0.676 . . . . 0.0 109.963 -179.22 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' H' H ' 7' ' ' CYS . . . . . 0.74 ' SG ' HD12 ' D' ' 6' ' ' LEU . 0.4 OUTLIER -87.88 -33.5 18.51 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.218 -0.901 . . . . 0.0 108.587 177.907 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' H' H ' 8' ' ' GLY . . . . . 0.485 ' HA2' HD13 ' H' ' 11' ' ' LEU . . . -61.72 -26.82 67.36 Favored Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 115.284 -0.871 . . . . 0.0 112.74 178.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' H' H ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.97 10.07 3.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.982 0.42 . . . . 0.0 111.684 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' H' H ' 10' ' ' HIS . . . . . . . . . . . . . 36.9 m-70 -113.52 -39.72 4.01 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 178.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 11' ' ' LEU . . . . . 0.485 HD13 ' HA2' ' H' ' 8' ' ' GLY . 0.1 OUTLIER -64.33 -25.69 68.15 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.074 -0.967 . . . . 0.0 110.055 179.27 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' H' H ' 12' ' ' VAL . . . . . 0.787 HG22 HG22 ' F' ' 12' ' ' VAL . 6.1 m -60.49 -49.48 84.19 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -179.472 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' H' H ' 13' ' ' GLU . . . . . 0.847 ' HA ' ' HE1' ' H' ' 16' ' ' TYR . 64.3 tt0 -65.77 -34.44 78.18 Favored 'General case' 0 CA--C 1.522 -0.125 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.387 -179.466 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' H' H ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.63 -39.64 80.67 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.985 179.107 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 15' ' ' LEU . . . . . 0.573 HD22 HD23 ' G' ' 16' ' ' LEU . 12.0 mt -57.7 -54.6 45.09 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.076 -0.511 . . . . 0.0 112.311 -179.55 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' H' H ' 16' ' ' TYR . . . . . 0.884 ' HB2' ' HG3' ' F' ' 28' ' ' PRO . 3.6 p90 -79.98 3.48 19.95 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 119.647 -0.821 . . . . 0.0 111.163 -179.77 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' H' H ' 17' ' ' LEU . . . . . 0.66 HD13 ' H3 ' ' A' ' 22' ' ' IPH . 5.3 tt -88.38 -44.99 10.36 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 177.63 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 84.3 t -64.52 -41.08 91.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 114.99 -1.005 . . . . 0.0 109.613 178.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 19' ' ' CYS . . . . . 0.797 ' HB3' ' HB2' ' H' ' 22' ' ' ARG . 95.4 m -77.09 -22.39 52.85 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.071 179.614 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' H' H ' 20' ' ' GLY . . . . . . . . . . . . . . . 70.99 -101.36 0.94 Allowed Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.122 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 21' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -97.05 -1.84 44.53 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.277 0.56 . . . . 0.0 109.697 179.174 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 22' ' ' ARG . . . . . 0.797 ' HB2' ' HB3' ' H' ' 19' ' ' CYS . 46.2 mtp85 -84.7 152.15 23.94 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.267 -0.878 . . . . 0.0 109.618 178.772 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' H' H ' 23' ' ' GLY . . . . . 0.678 ' HA2' ' HD2' ' F' ' 28' ' ' PRO . . . -90.38 -167.53 41.93 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.512 -0.851 . . . . 0.0 112.312 -179.776 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' H' H ' 24' ' ' PHE . . . . . 0.735 ' CE1' ' HB3' ' H' ' 16' ' ' TYR . 18.3 p90 -168.16 171.21 9.64 Favored 'General case' 0 C--O 1.24 0.571 0 CA-C-O 121.175 0.512 . . . . 0.0 110.826 179.77 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' H' H ' 25' ' ' PHE . . . . . 0.549 ' HD1' ' HD1' ' F' ' 25' ' ' PHE . 40.3 m-85 -110.28 136.38 49.56 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.153 179.319 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' H' H ' 26' ' ' TYR . . . . . 0.48 ' CE2' HG11 ' H' ' 12' ' ' VAL . 19.9 t80 -134.34 120.87 20.43 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.393 -0.523 . . . . 0.0 110.403 -179.44 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' H' H ' 27' ' ' THR . . . . . 0.577 HG21 ' HA3' ' F' ' 23' ' ' GLY . 1.9 p -127.14 99.42 28.35 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.492 -179.57 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' H' H ' 28' ' ' PRO . . . . . 0.913 ' HG3' ' HB2' ' F' ' 16' ' ' TYR . 94.1 Cg_endo -78.95 51.57 3.9 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.82 2.347 . . . . 0.0 111.93 179.547 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' H' H ' 29' ' ' LYS . . . . . 0.453 ' O ' ' HA3' ' G' ' 1' ' ' GLY . 20.5 ptmt -109.65 157.02 19.51 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.84 179.8 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' H' H ' 30' ' ' THR . . . . . . . . . . . . . 25.7 m . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.216 -0.897 . . . . 0.0 109.928 -179.73 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' I' I ' 1' ' ' GLY . . . . . 0.442 ' HA3' ' O ' ' J' ' 29' ' ' LYS . . . . . . . . 0 N--CA 1.488 2.12 0 N-CA-C 112.853 -0.099 . . . . 0.0 112.853 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 2' ' ' ILE . . . . . . . . . . . . . 5.2 tt -50.2 -42.36 20.02 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 3' ' ' VAL . . . . . 0.679 HG22 ' HA ' ' J' ' 28' ' ' PRO . 22.5 t -53.91 -55.25 14.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -179.473 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' I' I ' 4' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -62.15 -41.7 98.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.814 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 5' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -57.54 -42.49 83.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.426 0.631 . . . . 0.0 110.913 179.09 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 6' ' ' CYS . . . . . 0.42 ' O ' ' HA ' ' I' ' 10' ' ' ILE . 82.1 m -88.38 1.35 54.86 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.876 -0.602 . . . . 0.0 112.256 -179.166 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' I' I ' 7' ' ' CYS . . . . . . . . . . . . . 9.7 t -112.42 -17.65 12.64 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.924 0.393 . . . . 0.0 111.356 -179.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 8' ' ' THR . . . . . . . . . . . . . 8.9 t -78.06 -23.4 48.1 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.273 -179.259 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 9' ' ' SER . . . . . . . . . . . . . 22.3 t -162.56 12.45 0.07 Allowed 'General case' 0 C--O 1.233 0.226 0 C-N-CA 121.05 -0.26 . . . . 0.0 111.135 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 10' ' ' ILE . . . . . 0.42 ' HA ' ' O ' ' I' ' 6' ' ' CYS . 2.4 mp 65.46 118.53 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 CA-C-O 121.5 0.667 . . . . 0.0 111.145 -179.622 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' I' I ' 11' ' ' CYS . . . . . 0.426 ' HB2' HD22 ' I' ' 16' ' ' LEU . 63.4 m -72.0 141.07 49.36 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.287 179.727 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' I' I ' 12' ' ' SER . . . . . . . . . . . . . 41.6 t -80.79 165.97 21.4 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 177.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 13' ' ' LEU . . . . . . . . . . . . . 9.4 mp -60.11 -31.16 69.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.145 0.498 . . . . 0.0 110.547 179.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -71.06 -17.92 62.58 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.031 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -94.91 -38.84 10.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.941 0.4 . . . . 0.0 110.335 179.097 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 16' ' ' LEU . . . . . 0.556 HD23 HD22 ' J' ' 15' ' ' LEU . 86.8 mt -67.41 -30.84 70.7 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.106 0.479 . . . . 0.0 110.494 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' I' I ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.23 -30.91 66.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.383 179.646 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' I' I ' 18' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -59.77 -26.17 65.49 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.011 179.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 19' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -106.61 8.51 31.24 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.955 -177.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 20' ' ' CYS . . . . . . . . . . . . . 8.1 t -78.93 150.45 32.09 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.742 -179.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 21' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 . . . . . 0 C--O 1.248 0.984 0 CA-C-O 118.178 -0.915 . . . . 0.0 110.696 -179.719 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' J' J ' 1' ' ' PHE . . . . . . . . . . . . . 53.2 t80 . . . . . 0 N--CA 1.48 1.056 0 CA-C-O 120.542 0.21 . . . . 0.0 111.54 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' J' J ' 2' ' ' VAL . . . . . 0.496 ' O ' ' HG ' ' J' ' 6' ' ' LEU . 16.8 m -73.98 -39.93 51.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 C-N-CA 120.335 -0.546 . . . . 0.0 111.272 -179.194 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' J' J ' 3' ' ' ASN . . . . . 0.55 ' O ' ' HB3' ' J' ' 7' ' ' CYS . 20.8 m-20 -72.22 -5.18 33.98 Favored 'General case' 0 C--O 1.217 -0.631 0 CA-C-O 121.273 0.559 . . . . 0.0 110.108 178.594 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' J' J ' 4' ' ' GLN . . . . . 0.625 ' HG3' HG13 ' I' ' 3' ' ' VAL . 28.5 tt0 -71.59 -17.61 62.28 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 177.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' J' J ' 5' ' ' HIS . . . . . 0.43 ' HA ' ' HE2' ' L' ' 16' ' ' TYR . 36.2 t60 -113.28 -2.7 13.98 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.986 178.813 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' J' J ' 6' ' ' LEU . . . . . 0.732 HD12 ' SG ' ' F' ' 7' ' ' CYS . 7.6 mt -113.84 -40.22 3.82 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.375 0.607 . . . . 0.0 109.986 -179.295 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' J' J ' 7' ' ' CYS . . . . . 0.735 ' SG ' HD12 ' B' ' 6' ' ' LEU . 0.4 OUTLIER -88.31 -33.09 18.13 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 108.563 -0.902 . . . . 0.0 108.563 177.76 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' J' J ' 8' ' ' GLY . . . . . 0.505 ' HA2' HD13 ' J' ' 11' ' ' LEU . . . -62.46 -25.88 67.48 Favored Glycine 0 C--N 1.333 0.396 0 CA-C-N 115.654 -0.703 . . . . 0.0 112.484 178.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' J' J ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.59 10.46 3.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.104 0.478 . . . . 0.0 111.646 179.757 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' J' J ' 10' ' ' HIS . . . . . . . . . . . . . 36.2 m-70 -113.78 -39.53 3.99 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 178.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' J' J ' 11' ' ' LEU . . . . . 0.505 HD13 ' HA2' ' J' ' 8' ' ' GLY . 0.1 OUTLIER -64.44 -25.69 68.12 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.145 179.188 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' J' J ' 12' ' ' VAL . . . . . 0.755 HG22 HG22 ' L' ' 12' ' ' VAL . 6.6 m -60.63 -49.08 85.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 -179.569 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' J' J ' 13' ' ' GLU . . . . . 0.843 ' HA ' ' HE1' ' J' ' 16' ' ' TYR . 63.4 tt0 -66.32 -34.01 77.02 Favored 'General case' 0 CA--C 1.521 -0.154 0 C-N-CA 120.475 -0.49 . . . . 0.0 110.209 -179.474 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' J' J ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.59 -40.41 80.51 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.048 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' J' J ' 15' ' ' LEU . . . . . 0.556 HD22 HD23 ' I' ' 16' ' ' LEU . 11.9 mt -57.18 -54.96 40.8 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.376 -179.55 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' J' J ' 16' ' ' TYR . . . . . 0.93 ' HB2' ' HG3' ' L' ' 28' ' ' PRO . 3.5 p90 -79.57 3.14 19.79 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 119.479 -0.889 . . . . 0.0 111.152 -179.745 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' J' J ' 17' ' ' LEU . . . . . 0.641 HD13 ' H3 ' ' C' ' 22' ' ' IPH . 5.3 tt -87.78 -45.19 10.54 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 177.594 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 89.9 t -64.5 -40.16 88.08 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-N 115.129 -0.941 . . . . 0.0 109.852 178.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' J' J ' 19' ' ' CYS . . . . . 0.806 ' HB3' ' HB2' ' J' ' 22' ' ' ARG . 93.8 m -78.24 -20.63 51.34 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.138 179.555 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' J' J ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.61 -101.52 0.78 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 121.248 -0.501 . . . . 0.0 112.059 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' J' J ' 21' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -97.03 1.05 49.7 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.16 0.505 . . . . 0.0 110.068 179.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' J' J ' 22' ' ' ARG . . . . . 0.806 ' HB2' ' HB3' ' J' ' 19' ' ' CYS . 41.7 mtp85 -88.65 150.4 23.04 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.469 179.081 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' J' J ' 23' ' ' GLY . . . . . 0.703 ' HA2' ' HD2' ' L' ' 28' ' ' PRO . . . -87.78 -168.53 44.57 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.465 -179.66 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' J' J ' 24' ' ' PHE . . . . . 0.741 ' CE1' ' HB3' ' J' ' 16' ' ' TYR . 17.7 p90 -167.78 170.51 10.76 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-O 121.21 0.529 . . . . 0.0 110.875 179.652 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' J' J ' 25' ' ' PHE . . . . . 0.541 ' HD1' ' HD1' ' L' ' 25' ' ' PHE . 39.2 m-85 -109.45 136.1 49.4 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.283 179.318 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' J' J ' 26' ' ' TYR . . . . . 0.469 ' CE2' HG11 ' J' ' 12' ' ' VAL . 21.5 t80 -133.49 121.28 21.95 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.508 -179.509 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' J' J ' 27' ' ' THR . . . . . 0.596 HG21 ' HA3' ' L' ' 23' ' ' GLY . 1.8 p -128.11 99.33 25.2 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.388 -179.63 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' J' J ' 28' ' ' PRO . . . . . 0.914 ' HG3' ' HB2' ' L' ' 16' ' ' TYR . 95.7 Cg_endo -78.6 51.04 3.61 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 123.04 2.493 . . . . 0.0 111.975 179.479 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' J' J ' 29' ' ' LYS . . . . . 0.442 ' O ' ' HA3' ' I' ' 1' ' ' GLY . 20.2 ptmt -109.77 155.94 20.95 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.951 179.775 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' J' J ' 30' ' ' THR . . . . . . . . . . . . . 23.7 m . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.367 -0.825 . . . . 0.0 110.147 -179.788 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' K' K ' 1' ' ' GLY . . . . . 0.426 ' HA3' ' O ' ' L' ' 29' ' ' LYS . . . . . . . . 0 N--CA 1.488 2.125 0 CA-C-O 120.866 0.148 . . . . 0.0 112.734 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' K' K ' 2' ' ' ILE . . . . . . . . . . . . . 5.0 tt -50.59 -42.74 22.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 N-CA-C 112.505 0.558 . . . . 0.0 112.505 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' K' K ' 3' ' ' VAL . . . . . 0.658 HG22 ' HA ' ' L' ' 28' ' ' PRO . 22.0 t -53.5 -55.49 12.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 120.704 0.288 . . . . 0.0 111.613 -179.567 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' K' K ' 4' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -62.21 -41.79 98.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.713 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' K' K ' 5' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -57.5 -42.2 82.25 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.392 0.615 . . . . 0.0 110.918 179.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' K' K ' 6' ' ' CYS . . . . . 0.406 ' O ' ' HA ' ' K' ' 10' ' ' ILE . 82.0 m -89.07 2.28 54.31 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.269 -179.213 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' K' K ' 7' ' ' CYS . . . . . . . . . . . . . 9.8 t -112.66 -18.58 12.32 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.878 0.37 . . . . 0.0 110.964 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' K' K ' 8' ' ' THR . . . . . . . . . . . . . 9.2 t -76.99 -22.7 52.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.626 -179.05 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' K' K ' 9' ' ' SER . . . . . . . . . . . . . 21.4 t -163.42 11.4 0.06 Allowed 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 121.281 -0.168 . . . . 0.0 111.158 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' K' K ' 10' ' ' ILE . . . . . 0.406 ' HA ' ' O ' ' K' ' 6' ' ' CYS . 2.5 mp 66.48 119.18 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 CA-C-O 121.384 0.611 . . . . 0.0 111.085 -179.598 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' K' K ' 11' ' ' CYS . . . . . 0.415 ' HB2' HD22 ' K' ' 16' ' ' LEU . 63.4 m -72.79 141.35 48.06 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.262 179.76 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' K' K ' 12' ' ' SER . . . . . . . . . . . . . 45.3 t -80.86 166.02 21.29 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 177.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' K' K ' 13' ' ' LEU . . . . . . . . . . . . . 9.5 mp -60.27 -32.01 70.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.07 0.462 . . . . 0.0 110.342 179.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -70.17 -17.06 63.16 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.45 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -95.81 -39.32 9.9 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.898 0.38 . . . . 0.0 110.21 179.077 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' K' K ' 16' ' ' LEU . . . . . 0.58 HD23 HD22 ' L' ' 15' ' ' LEU . 87.4 mt -66.82 -31.01 71.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.435 179.624 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' K' K ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.22 -30.23 66.33 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.271 179.669 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' K' K ' 18' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -61.21 -24.84 66.63 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.759 -0.655 . . . . 0.0 112.07 179.411 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' K' K ' 19' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -107.6 8.34 29.13 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.941 -177.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' K' K ' 20' ' ' CYS . . . . . . . . . . . . . 8.1 t -78.79 150.68 32.3 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.893 0.378 . . . . 0.0 110.906 -179.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' K' K ' 21' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.521 -179.65 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' L' L ' 1' ' ' PHE . . . . . 0.41 ' O ' ' HB3' ' L' ' 4' ' ' GLN . 52.5 t80 . . . . . 0 N--CA 1.481 1.121 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' L' L ' 2' ' ' VAL . . . . . 0.492 ' O ' ' HG ' ' L' ' 6' ' ' LEU . 16.5 m -72.65 -39.54 60.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 C-N-CA 120.53 -0.468 . . . . 0.0 111.679 -178.777 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' L' L ' 3' ' ' ASN . . . . . 0.559 ' O ' ' HB3' ' L' ' 7' ' ' CYS . 25.3 m-20 -72.73 -4.7 32.97 Favored 'General case' 0 C--O 1.216 -0.679 0 CA-C-O 121.182 0.515 . . . . 0.0 109.808 178.558 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' L' L ' 4' ' ' GLN . . . . . 0.616 ' HG3' HG13 ' K' ' 3' ' ' VAL . 29.2 tt0 -72.01 -17.83 62.01 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 177.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' L' L ' 5' ' ' HIS . . . . . 0.425 ' HA ' ' HE2' ' J' ' 16' ' ' TYR . 36.3 t60 -112.83 -2.86 14.27 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.995 178.741 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' L' L ' 6' ' ' LEU . . . . . 0.745 HD12 ' SG ' ' D' ' 7' ' ' CYS . 8.0 mt -113.74 -39.77 3.94 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.487 0.661 . . . . 0.0 110.085 -179.146 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' L' L ' 7' ' ' CYS . . . . . 0.739 ' SG ' HD12 ' H' ' 6' ' ' LEU . 0.5 OUTLIER -88.78 -33.63 17.38 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 178.072 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' L' L ' 8' ' ' GLY . . . . . 0.499 ' HA2' HD13 ' L' ' 11' ' ' LEU . . . -61.55 -26.6 66.78 Favored Glycine 0 N--CA 1.449 -0.44 0 CA-C-N 115.585 -0.734 . . . . 0.0 112.699 178.549 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' L' L ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.09 10.32 3.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.981 0.42 . . . . 0.0 111.721 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' L' L ' 10' ' ' HIS . . . . . . . . . . . . . 39.0 m-70 -113.82 -39.45 3.99 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 178.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' L' L ' 11' ' ' LEU . . . . . 0.499 HD13 ' HA2' ' L' ' 8' ' ' GLY . 0.1 OUTLIER -64.72 -25.52 67.97 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.36 -0.837 . . . . 0.0 109.908 179.344 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' L' L ' 12' ' ' VAL . . . . . 0.755 HG22 HG22 ' J' ' 12' ' ' VAL . 5.8 m -60.68 -49.21 85.39 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 -179.382 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' L' L ' 13' ' ' GLU . . . . . 0.843 ' HA ' ' HE1' ' L' ' 16' ' ' TYR . 63.3 tt0 -66.18 -33.72 76.41 Favored 'General case' 0 CA--C 1.521 -0.163 0 C-N-CA 120.56 -0.456 . . . . 0.0 110.375 -179.529 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' L' L ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.1 -40.14 78.58 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.764 179.087 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' L' L ' 15' ' ' LEU . . . . . 0.58 HD22 HD23 ' K' ' 16' ' ' LEU . 12.1 mt -57.16 -55.0 40.41 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.265 -179.673 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' L' L ' 16' ' ' TYR . . . . . 0.914 ' HB2' ' HG3' ' J' ' 28' ' ' PRO . 3.3 p90 -79.65 3.14 20.0 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 119.555 -0.858 . . . . 0.0 111.196 -179.705 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' L' L ' 17' ' ' LEU . . . . . 0.653 HD13 ' H3 ' ' E' ' 22' ' ' IPH . 5.3 tt -88.38 -44.41 10.79 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 107.807 -1.182 . . . . 0.0 107.807 177.696 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 87.3 t -65.29 -39.09 84.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.802 178.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' L' L ' 19' ' ' CYS . . . . . 0.827 ' HB3' ' HB2' ' L' ' 22' ' ' ARG . 92.8 m -79.26 -20.74 47.38 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.063 179.52 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' L' L ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.99 -101.01 0.75 Allowed Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 121.107 -0.568 . . . . 0.0 112.171 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' L' L ' 21' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -97.97 1.43 47.9 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.283 0.563 . . . . 0.0 109.836 179.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' L' L ' 22' ' ' ARG . . . . . 0.827 ' HB2' ' HB3' ' L' ' 19' ' ' CYS . 45.8 mtp85 -88.15 151.01 23.01 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.219 178.747 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' L' L ' 23' ' ' GLY . . . . . 0.723 ' HA2' ' HD2' ' J' ' 28' ' ' PRO . . . -88.96 -168.11 43.63 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.49 -0.862 . . . . 0.0 112.461 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' L' L ' 24' ' ' PHE . . . . . 0.725 ' CE1' ' HB3' ' L' ' 16' ' ' TYR . 17.4 p90 -167.61 171.24 10.41 Favored 'General case' 0 C--O 1.24 0.582 0 CA-C-O 121.272 0.558 . . . . 0.0 110.94 179.643 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' L' L ' 25' ' ' PHE . . . . . 0.541 ' HD1' ' HD1' ' J' ' 25' ' ' PHE . 40.1 m-85 -109.96 136.24 49.55 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.087 179.291 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' L' L ' 26' ' ' TYR . . . . . 0.483 ' CE2' HG11 ' L' ' 12' ' ' VAL . 21.1 t80 -134.05 121.2 21.21 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.493 -179.653 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' L' L ' 27' ' ' THR . . . . . 0.566 HG21 ' HA3' ' J' ' 23' ' ' GLY . 1.9 p -127.58 99.62 26.57 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.406 -179.439 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' L' L ' 28' ' ' PRO . . . . . 0.93 ' HG3' ' HB2' ' J' ' 16' ' ' TYR . 94.3 Cg_endo -78.99 51.42 3.85 Favored 'Trans proline' 0 C--O 1.234 0.282 0 C-N-CA 122.987 2.458 . . . . 0.0 112.025 179.305 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' L' L ' 29' ' ' LYS . . . . . 0.426 ' O ' ' HA3' ' K' ' 1' ' ' GLY . 20.5 ptmt -110.44 156.76 20.38 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.827 179.777 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' L' L ' 30' ' ' THR . . . . . . . . . . . . . 24.6 m . . . . . 0 C--O 1.251 1.133 0 CA-C-O 118.551 -0.738 . . . . 0.0 109.637 -179.863 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' IPH . . . . . 0.66 ' H3 ' HD13 ' H' ' 17' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 22' ' ' IPH . . . . . 0.641 ' H3 ' HD13 ' J' ' 17' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 22' ' ' IPH . . . . . 0.653 ' H3 ' HD13 ' L' ' 17' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 22' ' ' IPH . . . . . 0.656 ' H3 ' HD13 ' B' ' 17' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 22' ' ' IPH . . . . . 0.626 ' H3 ' HD13 ' D' ' 17' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' K' K ' 22' ' ' IPH . . . . . 0.64 ' H3 ' HD13 ' F' ' 17' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.678 0 N-CA-C 111.939 -0.464 . . . . 0.0 111.939 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.418 HG23 HG23 ' A' ' 3' ' ' VAL . 4.7 tt -149.81 -41.98 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 120.805 0.336 . . . . 0.0 111.558 -179.591 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.819 HG21 ' HA ' ' B' ' 28' ' ' PRO . 3.1 t -82.44 -37.51 14.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -178.779 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -61.02 -44.0 98.05 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.494 -178.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.502 ' HG3' ' SG ' ' A' ' 11' ' ' CYS . 3.2 pt20 -73.59 -23.9 59.99 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -179.048 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 97.4 m -98.78 -33.4 10.92 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 113.725 1.009 . . . . 0.0 113.725 -177.109 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.588 ' HB2' HD11 ' B' ' 11' ' ' LEU . 48.9 t -76.3 0.05 20.74 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 -178.685 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.496 HG23 ' H ' ' A' ' 9' ' ' SER . 1.7 t -88.64 -63.91 1.23 Allowed 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.533 -0.467 . . . . 0.0 111.02 179.464 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.496 ' H ' HG23 ' A' ' 8' ' ' THR . 26.5 m -141.89 30.27 1.65 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 122.025 -0.422 . . . . 0.0 111.319 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.458 ' HB ' ' O ' ' A' ' 9' ' ' SER . 2.5 mp 71.42 144.57 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 CA-C-O 121.253 0.549 . . . . 0.0 111.384 179.378 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.502 ' SG ' ' HG3' ' A' ' 5' ' ' GLN . 88.6 m -102.27 167.46 9.97 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.107 0.48 . . . . 0.0 111.566 -179.377 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.605 ' HB3' ' HG3' ' A' ' 15' ' ' GLN . 40.0 t -79.9 154.52 28.28 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.62 178.446 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 22.0 tp -54.73 -45.54 74.1 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.524 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -66.32 -25.1 66.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.059 -0.519 . . . . 0.0 112.066 -178.776 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.605 ' HG3' ' HB3' ' A' ' 12' ' ' SER . 76.7 mt-30 -73.47 -39.67 64.72 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.929 0.395 . . . . 0.0 110.41 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 83.4 mt -68.22 -34.59 76.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.965 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -57.98 -24.69 59.13 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 115.813 -0.63 . . . . 0.0 112.167 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -72.25 -15.27 61.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.851 0.358 . . . . 0.0 111.192 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.5 ' HD1' ' HE1' ' B' ' 25' ' ' PHE . 59.8 m-85 -106.51 -2.95 21.4 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.921 0.391 . . . . 0.0 110.768 -179.288 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 12.3 t -74.89 149.51 39.46 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.108 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 . . . . . 0 C--O 1.252 1.2 0 CA-C-O 118.707 -0.663 . . . . 0.0 110.336 -179.44 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 7.4 p90 . . . . . 0 N--CA 1.487 1.398 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 2' ' ' VAL . . . . . 0.72 HG11 HD12 ' B' ' 6' ' ' LEU . 26.2 m 39.63 -138.25 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 124.196 0.998 . . . . 0.0 113.267 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -157.95 -171.56 3.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.772 0.32 . . . . 0.0 110.513 -178.47 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 4' ' ' GLN . . . . . 0.423 ' HG3' ' CG1' ' A' ' 3' ' ' VAL . 6.2 tt0 -50.06 -34.1 20.5 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 124.297 1.039 . . . . 0.0 111.475 178.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 5' ' ' HIS . . . . . 0.468 ' HE1' ' HA2' ' D' ' 20' ' ' GLY . 55.5 t60 -58.32 -15.67 11.28 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.152 -0.931 . . . . 0.0 113.053 -178.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.72 HD12 HG11 ' B' ' 2' ' ' VAL . 43.2 mt -127.18 -20.29 4.15 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.312 0.577 . . . . 0.0 110.959 179.193 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 7' ' ' CYS . . . . . 0.532 ' SG ' HG13 ' F' ' 2' ' ' VAL . 1.3 t -76.21 -33.08 59.26 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.475 179.494 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 8' ' ' GLY . . . . . 0.569 ' HA3' ' OH ' ' B' ' 26' ' ' TYR . . . -70.65 -22.14 77.94 Favored Glycine 0 N--CA 1.447 -0.588 0 CA-C-N 115.783 -0.644 . . . . 0.0 113.825 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 9' ' ' SER . . . . . 0.876 ' HB2' ' HG2' ' D' ' 13' ' ' GLU . 18.2 p -66.0 -15.72 63.27 Favored 'General case' 0 C--O 1.225 -0.234 0 CA-C-N 117.274 0.537 . . . . 0.0 110.763 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -106.59 -20.59 13.32 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.609 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.588 HD11 ' HB2' ' A' ' 7' ' ' CYS . 73.4 mt -68.26 -37.32 80.62 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.299 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.612 ' HA ' ' HB2' ' B' ' 15' ' ' LEU . 4.9 m -67.33 -33.83 65.14 Favored 'Isoleucine or valine' 0 C--O 1.232 0.139 0 CA-C-N 115.085 -0.961 . . . . 0.0 111.647 179.466 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.877 ' HG2' ' HB2' ' D' ' 9' ' ' SER . 43.2 mt-10 -56.24 -41.86 76.41 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 121.136 0.493 . . . . 0.0 110.374 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 14' ' ' ALA . . . . . 0.474 ' O ' HG23 ' B' ' 18' ' ' VAL . . . -81.42 -33.76 31.96 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.516 178.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.612 ' HB2' ' HA ' ' B' ' 12' ' ' VAL . 3.0 mt -55.26 -55.04 35.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.419 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 16' ' ' TYR . . . . . 0.764 ' HB3' ' CE1' ' B' ' 24' ' ' PHE . 6.7 p90 -76.57 -14.82 59.98 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 119.643 -0.823 . . . . 0.0 111.351 -179.324 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.568 HD12 ' CE1' ' D' ' 5' ' ' HIS . 33.2 tp -69.43 -34.29 74.22 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 177.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.474 HG23 ' O ' ' B' ' 14' ' ' ALA . 96.1 t -68.13 -46.39 81.47 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.371 178.296 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 19' ' ' CYS . . . . . 0.688 ' HB3' ' HB2' ' B' ' 22' ' ' ARG . 85.5 m -66.69 -43.0 85.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.082 179.78 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.14 -87.18 0.18 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 121.423 -0.418 . . . . 0.0 112.895 179.552 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -88.69 -6.6 57.35 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.97 0.414 . . . . 0.0 110.449 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' ARG . . . . . 0.688 ' HB2' ' HB3' ' B' ' 19' ' ' CYS . 19.9 mtt85 -104.08 172.69 6.66 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.094 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 23' ' ' GLY . . . . . 0.825 ' HA2' ' HD2' ' D' ' 28' ' ' PRO . . . -112.89 -159.91 14.2 Favored Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 178.824 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 24' ' ' PHE . . . . . 0.764 ' CE1' ' HB3' ' B' ' 16' ' ' TYR . 8.4 p90 -173.44 158.44 3.48 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.025 0.441 . . . . 0.0 110.514 179.435 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 25' ' ' PHE . . . . . 0.5 ' HE1' ' HD1' ' A' ' 19' ' ' TYR . 4.1 p90 -104.44 124.45 49.26 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 178.767 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.569 ' OH ' ' HA3' ' B' ' 8' ' ' GLY . 78.6 t80 -116.21 123.64 48.27 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.0 -178.586 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 27' ' ' THR . . . . . 0.444 HG22 ' HA3' ' D' ' 23' ' ' GLY . 6.7 p -126.51 97.33 34.0 Favored Pre-proline 0 C--N 1.317 -0.841 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.787 179.56 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 28' ' ' PRO . . . . . 0.823 ' HD2' ' HA2' ' D' ' 23' ' ' GLY . 59.9 Cg_endo -73.38 52.65 2.42 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 122.931 2.421 . . . . 0.0 111.331 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 30.1 tttt -117.79 -33.11 4.61 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 114.697 -1.138 . . . . 0.0 109.166 -179.083 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 7.0 m . . . . . 0 C--O 1.246 0.917 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 179.53 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.729 0 N-CA-C 111.939 -0.464 . . . . 0.0 111.939 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 4.7 tt -150.76 -41.55 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 120.637 0.256 . . . . 0.0 111.433 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 3' ' ' VAL . . . . . 0.834 HG21 ' HA ' ' D' ' 28' ' ' PRO . 3.2 t -82.59 -38.47 15.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 111.815 0.302 . . . . 0.0 111.815 -178.625 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -60.69 -44.42 96.57 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.386 -178.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 5' ' ' GLN . . . . . 0.485 ' HG3' ' SG ' ' C' ' 11' ' ' CYS . 3.2 pt20 -73.03 -21.77 60.75 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -178.862 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 92.7 m -101.23 -33.12 10.2 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 113.488 0.921 . . . . 0.0 113.488 -177.137 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 7' ' ' CYS . . . . . 0.591 ' HB2' HD11 ' D' ' 11' ' ' LEU . 48.6 t -76.3 0.42 19.41 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 111.825 0.306 . . . . 0.0 111.825 -178.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 8' ' ' THR . . . . . 0.487 HG23 ' H ' ' C' ' 9' ' ' SER . 1.4 t -88.9 -64.58 1.12 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 121.853 -0.529 . . . . 0.0 110.953 179.179 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 9' ' ' SER . . . . . 0.487 ' H ' HG23 ' C' ' 8' ' ' THR . 17.9 m -140.69 28.45 1.97 Allowed 'General case' 0 C--N 1.328 -0.341 0 O-C-N 122.038 -0.413 . . . . 0.0 111.681 -179.197 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 10' ' ' ILE . . . . . 0.471 ' HB ' ' O ' ' C' ' 9' ' ' SER . 2.5 mp 72.39 143.5 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 CA-C-O 121.101 0.476 . . . . 0.0 111.321 179.592 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 11' ' ' CYS . . . . . 0.485 ' SG ' ' HG3' ' C' ' 5' ' ' GLN . 86.4 m -101.04 167.88 9.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.001 0.429 . . . . 0.0 111.631 -179.382 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 12' ' ' SER . . . . . 0.665 ' HB3' ' HG3' ' C' ' 15' ' ' GLN . 36.8 t -79.2 156.83 28.01 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.647 178.232 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 21.8 tp -57.36 -45.57 84.24 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.263 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -65.42 -26.33 67.92 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.91 -0.586 . . . . 0.0 112.207 -179.115 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 15' ' ' GLN . . . . . 0.665 ' HG3' ' HB3' ' C' ' 12' ' ' SER . 74.4 mt-30 -72.54 -41.01 66.27 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.774 0.321 . . . . 0.0 110.451 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 79.4 mt -67.01 -34.74 78.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.834 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -57.07 -25.57 58.92 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.669 -0.696 . . . . 0.0 112.4 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -71.61 -14.83 62.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.802 0.334 . . . . 0.0 111.432 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 19' ' ' TYR . . . . . 0.51 ' HD1' ' HE1' ' D' ' 25' ' ' PHE . 58.8 m-85 -106.91 -3.92 19.7 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.623 -179.153 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 11.6 t -73.85 149.55 41.5 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.26 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.666 -0.683 . . . . 0.0 110.857 -179.13 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 6.7 p90 . . . . . 0 N--CA 1.485 1.3 0 N-CA-C 111.738 0.273 . . . . 0.0 111.738 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' D' D ' 2' ' ' VAL . . . . . 0.727 HG11 HD12 ' D' ' 6' ' ' LEU . 24.1 m 39.54 -136.76 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 124.365 1.066 . . . . 0.0 113.437 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 3' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -158.98 -172.81 3.95 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 120.708 0.29 . . . . 0.0 110.42 -178.189 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 4' ' ' GLN . . . . . 0.438 ' HG3' ' CG1' ' C' ' 3' ' ' VAL . 6.3 tt0 -49.68 -33.93 17.1 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 124.28 1.032 . . . . 0.0 111.387 178.725 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 5' ' ' HIS . . . . . 0.568 ' CE1' HD12 ' B' ' 17' ' ' LEU . 19.8 t-80 -58.47 -15.3 10.42 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 115.348 -0.842 . . . . 0.0 113.043 -178.821 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 6' ' ' LEU . . . . . 0.727 HD12 HG11 ' D' ' 2' ' ' VAL . 37.5 mt -126.99 -21.24 4.02 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.306 0.574 . . . . 0.0 110.761 179.26 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 7' ' ' CYS . . . . . 0.526 ' SG ' HG13 ' L' ' 2' ' ' VAL . 1.1 t -75.47 -33.06 60.8 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.703 179.516 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 8' ' ' GLY . . . . . 0.572 ' HA3' ' OH ' ' D' ' 26' ' ' TYR . . . -70.42 -22.28 77.67 Favored Glycine 0 N--CA 1.446 -0.651 0 CA-C-N 115.717 -0.674 . . . . 0.0 113.703 -179.648 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 9' ' ' SER . . . . . 0.877 ' HB2' ' HG2' ' B' ' 13' ' ' GLU . 19.6 p -66.18 -15.6 63.28 Favored 'General case' 0 C--O 1.225 -0.195 0 CA-C-N 117.244 0.522 . . . . 0.0 110.721 -179.551 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 10' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -106.69 -20.63 13.29 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.612 -179.342 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 11' ' ' LEU . . . . . 0.591 HD11 ' HB2' ' C' ' 7' ' ' CYS . 73.9 mt -68.23 -37.13 80.51 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 177.267 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 12' ' ' VAL . . . . . 0.608 ' HA ' ' HB2' ' D' ' 15' ' ' LEU . 4.6 m -67.41 -33.74 64.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.076 -0.965 . . . . 0.0 111.744 179.554 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 13' ' ' GLU . . . . . 0.876 ' HG2' ' HB2' ' B' ' 9' ' ' SER . 43.9 mt-10 -56.52 -41.89 77.48 Favored 'General case' 0 N--CA 1.461 0.102 0 CA-C-O 121.183 0.516 . . . . 0.0 110.35 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 14' ' ' ALA . . . . . 0.483 ' O ' HG23 ' D' ' 18' ' ' VAL . . . -81.48 -33.26 32.08 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.583 178.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 15' ' ' LEU . . . . . 0.608 ' HB2' ' HA ' ' D' ' 12' ' ' VAL . 3.0 mt -55.81 -54.75 40.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.432 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 16' ' ' TYR . . . . . 0.75 ' HB3' ' CE1' ' D' ' 24' ' ' PHE . 6.5 p90 -76.72 -14.42 59.95 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 119.617 -0.833 . . . . 0.0 111.257 -179.202 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 17' ' ' LEU . . . . . 0.552 HD23 HD23 ' J' ' 17' ' ' LEU . 33.6 tp -70.02 -34.36 73.17 Favored 'General case' 0 C--O 1.232 0.179 0 N-CA-C 108.134 -1.061 . . . . 0.0 108.134 178.043 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 18' ' ' VAL . . . . . 0.483 HG23 ' O ' ' D' ' 14' ' ' ALA . 96.4 t -68.32 -44.02 84.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 114.876 -1.056 . . . . 0.0 109.636 178.216 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 19' ' ' CYS . . . . . 0.712 ' HB3' ' HB2' ' D' ' 22' ' ' ARG . 89.9 m -69.52 -42.38 74.77 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.936 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 20' ' ' GLY . . . . . 0.468 ' HA2' ' HE1' ' B' ' 5' ' ' HIS . . . 68.38 -86.56 0.19 Allowed Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 121.347 -0.454 . . . . 0.0 112.841 179.541 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -90.03 -4.76 57.22 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.999 0.428 . . . . 0.0 110.705 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 22' ' ' ARG . . . . . 0.712 ' HB2' ' HB3' ' D' ' 19' ' ' CYS . 20.4 mtt85 -105.91 172.71 6.66 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.792 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 23' ' ' GLY . . . . . 0.823 ' HA2' ' HD2' ' B' ' 28' ' ' PRO . . . -113.23 -159.35 13.61 Favored Glycine 0 N--CA 1.447 -0.608 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 178.767 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 24' ' ' PHE . . . . . 0.75 ' CE1' ' HB3' ' D' ' 16' ' ' TYR . 8.7 p90 -173.62 158.79 3.44 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 117.076 0.438 . . . . 0.0 110.321 179.593 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 25' ' ' PHE . . . . . 0.51 ' HE1' ' HD1' ' C' ' 19' ' ' TYR . 3.9 p90 -104.99 124.9 50.33 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 178.628 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 26' ' ' TYR . . . . . 0.572 ' OH ' ' HA3' ' D' ' 8' ' ' GLY . 78.6 t80 -116.73 122.71 45.28 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.237 -178.414 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 27' ' ' THR . . . . . 0.447 HG22 ' HA3' ' B' ' 23' ' ' GLY . 6.8 p -125.79 97.29 36.14 Favored Pre-proline 0 C--N 1.313 -0.998 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.828 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 28' ' ' PRO . . . . . 0.834 ' HA ' HG21 ' C' ' 3' ' ' VAL . 59.5 Cg_endo -72.9 50.85 1.85 Allowed 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 123.046 2.498 . . . . 0.0 111.656 179.431 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 28.2 tttt -115.11 -35.01 4.84 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 114.763 -1.108 . . . . 0.0 109.159 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 8.8 m . . . . . 0 C--O 1.246 0.899 0 CA-C-O 117.994 -1.003 . . . . 0.0 108.32 179.544 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.841 0 N-CA-C 111.886 -0.486 . . . . 0.0 111.886 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' E' E ' 2' ' ' ILE . . . . . 0.409 HG23 HG23 ' E' ' 3' ' ' VAL . 4.9 tt -149.42 -41.55 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 120.773 0.32 . . . . 0.0 111.603 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 3' ' ' VAL . . . . . 0.812 HG21 ' HA ' ' F' ' 28' ' ' PRO . 3.2 t -82.59 -37.9 14.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -178.645 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 4' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -60.69 -46.37 90.63 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.109 -179.006 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 5' ' ' GLN . . . . . 0.49 ' HG3' ' SG ' ' E' ' 11' ' ' CYS . 3.1 pt20 -71.05 -22.7 62.1 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -178.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 6' ' ' CYS . . . . . . . . . . . . . 94.1 m -100.27 -33.49 10.39 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 -177.304 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 7' ' ' CYS . . . . . 0.592 ' HB2' HD11 ' F' ' 11' ' ' LEU . 49.0 t -76.53 0.69 19.02 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -178.779 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 8' ' ' THR . . . . . 0.55 HG23 ' H ' ' E' ' 9' ' ' SER . 1.7 t -88.8 -65.69 0.99 Allowed 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.684 179.228 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 9' ' ' SER . . . . . 0.55 ' H ' HG23 ' E' ' 8' ' ' THR . 22.1 m -139.8 29.86 2.09 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 122.354 -0.216 . . . . 0.0 111.575 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 10' ' ' ILE . . . . . 0.477 ' HB ' ' O ' ' E' ' 9' ' ' SER . 2.4 mp 71.79 145.39 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.236 179.654 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 11' ' ' CYS . . . . . 0.49 ' SG ' ' HG3' ' E' ' 5' ' ' GLN . 94.1 m -102.74 168.48 9.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.228 0.537 . . . . 0.0 111.79 -179.441 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 12' ' ' SER . . . . . 0.654 ' HB3' ' HG3' ' E' ' 15' ' ' GLN . 38.1 t -80.45 154.62 27.52 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.584 178.474 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 21.6 tp -54.92 -45.86 74.84 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.071 0.462 . . . . 0.0 111.301 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -65.73 -25.76 67.44 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.027 -0.533 . . . . 0.0 112.184 -178.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 15' ' ' GLN . . . . . 0.654 ' HG3' ' HB3' ' E' ' 12' ' ' SER . 76.0 mt-30 -72.89 -40.47 65.56 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.812 0.339 . . . . 0.0 110.369 179.735 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 16' ' ' LEU . . . . . . . . . . . . . 82.5 mt -67.65 -34.73 77.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.853 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 17' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -57.12 -26.32 60.31 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.07 -0.514 . . . . 0.0 112.303 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 18' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -70.95 -14.69 62.45 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.81 0.338 . . . . 0.0 111.539 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 19' ' ' TYR . . . . . 0.496 ' HD1' ' HE1' ' F' ' 25' ' ' PHE . 59.7 m-85 -107.29 -3.32 19.82 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.88 0.371 . . . . 0.0 110.925 -179.245 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 20' ' ' CYS . . . . . . . . . . . . . 12.4 t -74.44 149.43 40.4 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.149 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 21' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 . . . . . 0 C--O 1.253 1.252 0 CA-C-O 118.617 -0.706 . . . . 0.0 110.086 -179.535 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' F' F ' 1' ' ' PHE . . . . . . . . . . . . . 7.7 p90 . . . . . 0 N--CA 1.486 1.325 0 N-CA-C 111.717 0.265 . . . . 0.0 111.717 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' F' F ' 2' ' ' VAL . . . . . 0.713 HG11 HD12 ' F' ' 6' ' ' LEU . 24.6 m 40.07 -136.9 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 124.287 1.035 . . . . 0.0 113.245 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 3' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -159.13 -172.98 3.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.791 0.329 . . . . 0.0 110.39 -178.332 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 4' ' ' GLN . . . . . 0.442 ' HG3' ' CG1' ' E' ' 3' ' ' VAL . 5.9 tt0 -49.41 -33.44 13.91 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 124.198 0.999 . . . . 0.0 111.538 178.75 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 5' ' ' HIS . . . . . 0.456 ' HE1' ' HA2' ' H' ' 20' ' ' GLY . 56.8 t60 -58.7 -15.6 12.67 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 115.292 -0.867 . . . . 0.0 112.901 -178.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 6' ' ' LEU . . . . . 0.713 HD12 HG11 ' F' ' 2' ' ' VAL . 41.8 mt -127.03 -20.88 4.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.368 0.604 . . . . 0.0 110.936 179.083 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 7' ' ' CYS . . . . . 0.518 ' SG ' HG13 ' J' ' 2' ' ' VAL . 1.3 t -75.54 -33.75 60.71 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.539 179.567 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 8' ' ' GLY . . . . . 0.58 ' HA3' ' OH ' ' F' ' 26' ' ' TYR . . . -69.86 -22.42 76.97 Favored Glycine 0 N--CA 1.445 -0.733 0 CA-C-N 115.954 -0.567 . . . . 0.0 113.798 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 9' ' ' SER . . . . . 0.88 ' HB2' ' HG2' ' H' ' 13' ' ' GLU . 19.5 p -65.85 -16.15 63.57 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 121.196 0.522 . . . . 0.0 110.829 -179.605 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 10' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -106.26 -20.46 13.39 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.659 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 11' ' ' LEU . . . . . 0.592 HD11 ' HB2' ' E' ' 7' ' ' CYS . 72.7 mt -68.49 -37.15 79.85 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 177.262 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 12' ' ' VAL . . . . . 0.619 ' HA ' ' HB2' ' F' ' 15' ' ' LEU . 4.8 m -67.49 -33.43 62.25 Favored 'Isoleucine or valine' 0 C--O 1.232 0.171 0 CA-C-N 115.098 -0.955 . . . . 0.0 111.688 179.444 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 13' ' ' GLU . . . . . 0.877 ' HG2' ' HB2' ' H' ' 9' ' ' SER . 43.3 mt-10 -56.51 -42.08 77.79 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 121.331 0.586 . . . . 0.0 110.333 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 14' ' ' ALA . . . . . 0.486 ' O ' HG23 ' F' ' 18' ' ' VAL . . . -81.23 -33.29 32.94 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.679 178.85 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 15' ' ' LEU . . . . . 0.619 ' HB2' ' HA ' ' F' ' 12' ' ' VAL . 3.0 mt -55.9 -54.71 41.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.495 -179.703 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 16' ' ' TYR . . . . . 0.765 ' HB3' ' CE1' ' F' ' 24' ' ' PHE . 6.6 p90 -76.46 -15.15 59.98 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 119.752 -0.779 . . . . 0.0 111.08 -179.347 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 17' ' ' LEU . . . . . 0.542 HD23 HD23 ' L' ' 17' ' ' LEU . 32.6 tp -69.07 -35.0 76.06 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 177.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 18' ' ' VAL . . . . . 0.486 HG23 ' O ' ' F' ' 14' ' ' ALA . 94.0 t -67.77 -45.61 84.09 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.516 178.228 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 19' ' ' CYS . . . . . 0.668 ' HB3' ' HB2' ' F' ' 22' ' ' ARG . 87.8 m -67.62 -43.21 80.94 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.053 179.757 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 20' ' ' GLY . . . . . 0.421 ' HA2' ' HE1' ' H' ' 5' ' ' HIS . . . 68.41 -87.43 0.2 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 121.355 -0.45 . . . . 0.0 112.957 179.459 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 21' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -88.74 -5.36 58.14 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.019 0.438 . . . . 0.0 110.583 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 22' ' ' ARG . . . . . 0.668 ' HB2' ' HB3' ' F' ' 19' ' ' CYS . 18.9 mtt85 -105.41 172.27 6.88 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.937 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 23' ' ' GLY . . . . . 0.823 ' HA2' ' HD2' ' H' ' 28' ' ' PRO . . . -112.57 -159.29 14.23 Favored Glycine 0 C--O 1.226 -0.387 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 178.841 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 24' ' ' PHE . . . . . 0.765 ' CE1' ' HB3' ' F' ' 16' ' ' TYR . 8.9 p90 -173.79 158.65 3.3 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.052 0.453 . . . . 0.0 110.451 179.505 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 25' ' ' PHE . . . . . 0.496 ' HE1' ' HD1' ' E' ' 19' ' ' TYR . 3.8 p90 -104.75 124.33 49.21 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 178.658 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 26' ' ' TYR . . . . . 0.58 ' OH ' ' HA3' ' F' ' 8' ' ' GLY . 79.3 t80 -116.12 122.85 46.34 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.149 -178.656 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 27' ' ' THR . . . . . 0.471 HG22 ' HA3' ' H' ' 23' ' ' GLY . 3.2 p -125.67 97.46 36.14 Favored Pre-proline 0 C--N 1.314 -0.95 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.701 179.762 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 28' ' ' PRO . . . . . 0.851 ' HD2' ' HA2' ' H' ' 23' ' ' GLY . 61.0 Cg_endo -73.65 52.9 2.59 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.863 2.375 . . . . 0.0 111.396 179.578 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 29' ' ' LYS . . . . . . . . . . . . . 28.5 tttt -117.16 -34.92 4.2 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.88 -1.054 . . . . 0.0 108.964 -179.211 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 30' ' ' THR . . . . . . . . . . . . . 9.2 m . . . . . 0 C--O 1.245 0.848 0 CA-C-O 118.114 -0.946 . . . . 0.0 108.581 179.567 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' G' G ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.586 0 N-CA-C 111.762 -0.535 . . . . 0.0 111.762 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' G' G ' 2' ' ' ILE . . . . . 0.4 HG23 HG23 ' G' ' 3' ' ' VAL . 4.7 tt -150.46 -41.47 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.694 0.283 . . . . 0.0 111.413 179.717 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 3' ' ' VAL . . . . . 0.816 HG21 ' HA ' ' H' ' 28' ' ' PRO . 3.3 t -82.53 -38.86 15.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -178.807 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 4' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -60.06 -45.24 93.54 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.586 0.232 . . . . 0.0 111.381 -178.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 5' ' ' GLN . . . . . 0.463 ' HG3' ' SG ' ' G' ' 11' ' ' CYS . 3.2 pt20 -71.98 -22.26 61.46 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 -178.824 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 6' ' ' CYS . . . . . . . . . . . . . 91.1 m -100.64 -33.73 10.17 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 113.539 0.94 . . . . 0.0 113.539 -177.137 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 7' ' ' CYS . . . . . 0.59 ' HB2' HD11 ' H' ' 11' ' ' LEU . 47.7 t -75.73 -0.09 19.68 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -178.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 8' ' ' THR . . . . . 0.514 HG23 ' H ' ' G' ' 9' ' ' SER . 1.7 t -88.29 -65.18 1.04 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 121.923 -0.486 . . . . 0.0 110.806 179.311 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 9' ' ' SER . . . . . 0.514 ' H ' HG23 ' G' ' 8' ' ' THR . 19.9 m -140.71 29.97 1.9 Allowed 'General case' 0 C--N 1.328 -0.329 0 O-C-N 122.238 -0.289 . . . . 0.0 111.681 -179.487 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 10' ' ' ILE . . . . . 0.453 ' HB ' ' O ' ' G' ' 9' ' ' SER . 2.5 mp 71.58 144.26 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.663 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.247 179.529 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 11' ' ' CYS . . . . . 0.463 ' SG ' ' HG3' ' G' ' 5' ' ' GLN . 86.2 m -101.54 169.28 8.95 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.068 0.461 . . . . 0.0 111.766 -179.321 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 12' ' ' SER . . . . . 0.652 ' HB3' ' HG3' ' G' ' 15' ' ' GLN . 31.5 t -80.37 156.3 26.76 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.558 178.44 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 13' ' ' LEU . . . . . . . . . . . . . 21.5 tp -57.56 -45.25 85.38 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.08 0.466 . . . . 0.0 111.242 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -65.75 -25.5 67.3 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.91 -0.587 . . . . 0.0 112.103 -179.124 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 15' ' ' GLN . . . . . 0.652 ' HG3' ' HB3' ' G' ' 12' ' ' SER . 76.1 mt-30 -73.45 -39.62 64.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.797 0.332 . . . . 0.0 110.614 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 16' ' ' LEU . . . . . . . . . . . . . 82.8 mt -68.54 -34.46 75.9 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.845 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 17' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -58.1 -24.43 58.65 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.858 -0.61 . . . . 0.0 112.264 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 18' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -71.64 -15.89 62.25 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.825 0.345 . . . . 0.0 111.138 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 19' ' ' TYR . . . . . 0.5 ' HD1' ' HE1' ' H' ' 25' ' ' PHE . 59.5 m-85 -106.24 -2.47 22.36 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.876 0.369 . . . . 0.0 110.963 -179.128 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 20' ' ' CYS . . . . . . . . . . . . . 12.1 t -74.59 150.15 39.81 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.182 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 21' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.702 -0.666 . . . . 0.0 110.52 -179.248 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' H' H ' 1' ' ' PHE . . . . . . . . . . . . . 6.9 p90 . . . . . 0 N--CA 1.482 1.168 0 N-CA-C 111.642 0.238 . . . . 0.0 111.642 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' H' H ' 2' ' ' VAL . . . . . 0.714 HG11 HD12 ' H' ' 6' ' ' LEU . 27.5 m 39.4 -138.49 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 C-N-CA 124.149 0.98 . . . . 0.0 113.438 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 3' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -157.41 -171.89 3.77 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.686 0.279 . . . . 0.0 110.4 -178.378 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 4' ' ' GLN . . . . . 0.438 ' HG3' ' CG1' ' G' ' 3' ' ' VAL . 6.6 tt0 -49.92 -34.56 20.9 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 124.359 1.064 . . . . 0.0 111.397 178.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 5' ' ' HIS . . . . . 0.421 ' HE1' ' HA2' ' F' ' 20' ' ' GLY . 57.4 t60 -57.62 -15.75 8.43 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 115.175 -0.92 . . . . 0.0 113.068 -178.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 6' ' ' LEU . . . . . 0.714 HD12 HG11 ' H' ' 2' ' ' VAL . 40.5 mt -126.99 -20.98 4.07 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.423 0.63 . . . . 0.0 110.611 179.32 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 7' ' ' CYS . . . . . 0.523 ' SG ' HG13 ' D' ' 2' ' ' VAL . 1.4 t -75.54 -33.83 60.7 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.612 179.591 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 8' ' ' GLY . . . . . 0.57 ' HA3' ' OH ' ' H' ' 26' ' ' TYR . . . -69.68 -22.56 76.79 Favored Glycine 0 N--CA 1.444 -0.783 0 CA-C-N 115.746 -0.661 . . . . 0.0 113.702 -179.665 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 9' ' ' SER . . . . . 0.877 ' HB2' ' HG2' ' F' ' 13' ' ' GLU . 19.6 p -66.01 -15.74 63.29 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 117.43 0.615 . . . . 0.0 110.795 -179.438 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 10' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -106.42 -20.94 13.23 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.682 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 11' ' ' LEU . . . . . 0.59 HD11 ' HB2' ' G' ' 7' ' ' CYS . 72.9 mt -68.01 -37.42 81.41 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 177.187 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 12' ' ' VAL . . . . . 0.604 ' HA ' ' HB2' ' H' ' 15' ' ' LEU . 4.6 m -67.14 -33.67 64.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.043 -0.98 . . . . 0.0 111.7 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 13' ' ' GLU . . . . . 0.88 ' HG2' ' HB2' ' F' ' 9' ' ' SER . 43.2 mt-10 -56.55 -41.92 77.66 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-O 121.27 0.557 . . . . 0.0 110.368 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 14' ' ' ALA . . . . . 0.466 ' O ' HG23 ' H' ' 18' ' ' VAL . . . -81.34 -33.58 32.35 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.627 179.008 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 15' ' ' LEU . . . . . 0.604 ' HB2' ' HA ' ' H' ' 12' ' ' VAL . 2.9 mt -55.68 -54.75 40.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.694 -0.684 . . . . 0.0 112.39 -179.705 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 16' ' ' TYR . . . . . 0.766 ' HB3' ' CE1' ' H' ' 24' ' ' PHE . 6.5 p90 -76.63 -14.74 59.96 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 119.724 -0.79 . . . . 0.0 111.092 -179.284 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 17' ' ' LEU . . . . . 0.54 HD23 HD23 ' B' ' 17' ' ' LEU . 31.7 tp -69.76 -33.77 72.88 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 108.388 -0.968 . . . . 0.0 108.388 177.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 18' ' ' VAL . . . . . 0.466 HG23 ' O ' ' H' ' 14' ' ' ALA . 92.1 t -68.84 -45.11 81.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.452 178.231 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 19' ' ' CYS . . . . . 0.706 ' HB3' ' HB2' ' H' ' 22' ' ' ARG . 88.9 m -68.41 -42.47 78.94 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.919 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 20' ' ' GLY . . . . . 0.456 ' HA2' ' HE1' ' F' ' 5' ' ' HIS . . . 68.13 -86.61 0.18 Allowed Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 121.415 -0.422 . . . . 0.0 112.932 179.474 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 21' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -88.88 -6.94 56.97 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.977 0.418 . . . . 0.0 110.619 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 22' ' ' ARG . . . . . 0.706 ' HB2' ' HB3' ' H' ' 19' ' ' CYS . 19.1 mtt85 -103.79 173.19 6.41 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.169 -179.619 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 23' ' ' GLY . . . . . 0.851 ' HA2' ' HD2' ' F' ' 28' ' ' PRO . . . -113.63 -159.6 13.43 Favored Glycine 0 N--CA 1.446 -0.659 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 178.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 24' ' ' PHE . . . . . 0.766 ' CE1' ' HB3' ' H' ' 16' ' ' TYR . 8.9 p90 -173.57 159.24 3.56 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 117.258 0.529 . . . . 0.0 110.392 179.446 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 25' ' ' PHE . . . . . 0.5 ' HE1' ' HD1' ' G' ' 19' ' ' TYR . 3.9 p90 -105.58 123.61 48.2 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 178.733 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 26' ' ' TYR . . . . . 0.57 ' OH ' ' HA3' ' H' ' 8' ' ' GLY . 76.5 t80 -115.66 123.1 47.51 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.978 -178.377 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 27' ' ' THR . . . . . 0.483 HG22 ' HA3' ' F' ' 23' ' ' GLY . 5.8 p -126.25 97.53 34.34 Favored Pre-proline 0 C--N 1.316 -0.857 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.768 179.587 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 28' ' ' PRO . . . . . 0.823 ' HD2' ' HA2' ' F' ' 23' ' ' GLY . 61.1 Cg_endo -73.3 52.28 2.31 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 123.06 2.506 . . . . 0.0 111.421 179.576 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 29' ' ' LYS . . . . . . . . . . . . . 29.6 tttt -117.75 -31.95 4.98 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 114.793 -1.094 . . . . 0.0 109.348 -178.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 30' ' ' THR . . . . . . . . . . . . . 8.3 m . . . . . 0 C--O 1.248 1.003 0 CA-C-O 117.936 -1.031 . . . . 0.0 108.382 179.388 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' I' I ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.378 0 N-CA-C 111.827 -0.509 . . . . 0.0 111.827 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' I' I ' 2' ' ' ILE . . . . . 0.4 HG23 HG23 ' I' ' 3' ' ' VAL . 4.4 tt -150.16 -41.05 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 120.851 0.358 . . . . 0.0 111.416 179.782 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 3' ' ' VAL . . . . . 0.822 HG21 ' HA ' ' J' ' 28' ' ' PRO . 3.5 t -83.05 -37.97 14.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -178.59 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 4' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -61.35 -44.57 96.95 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.597 0.237 . . . . 0.0 111.101 -178.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 5' ' ' GLN . . . . . 0.491 ' HG3' ' SG ' ' I' ' 11' ' ' CYS . 2.9 pt20 -72.59 -21.66 61.1 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -178.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 6' ' ' CYS . . . . . . . . . . . . . 92.1 m -100.89 -33.57 10.15 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 -177.347 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 7' ' ' CYS . . . . . 0.577 ' HB2' HD11 ' J' ' 11' ' ' LEU . 49.4 t -76.42 1.25 16.94 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -178.724 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 8' ' ' THR . . . . . 0.505 HG23 ' H ' ' I' ' 9' ' ' SER . 1.4 t -89.86 -64.07 1.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 121.909 -0.495 . . . . 0.0 110.815 179.323 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 9' ' ' SER . . . . . 0.505 ' H ' HG23 ' I' ' 8' ' ' THR . 16.6 m -140.9 28.91 1.9 Allowed 'General case' 0 C--N 1.328 -0.369 0 O-C-N 122.205 -0.31 . . . . 0.0 111.569 -179.425 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 10' ' ' ILE . . . . . 0.464 ' HB ' ' O ' ' I' ' 9' ' ' SER . 2.5 mp 71.88 144.35 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 CA-C-O 121.162 0.506 . . . . 0.0 111.256 179.781 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 11' ' ' CYS . . . . . 0.491 ' SG ' ' HG3' ' I' ' 5' ' ' GLN . 87.6 m -101.63 168.48 9.45 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.164 0.507 . . . . 0.0 111.576 -179.282 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 12' ' ' SER . . . . . 0.648 ' HB3' ' HG3' ' I' ' 15' ' ' GLN . 41.7 t -80.46 155.33 27.12 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.519 178.497 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 13' ' ' LEU . . . . . . . . . . . . . 21.8 tp -55.73 -45.7 77.92 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.415 -179.524 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -65.56 -26.08 67.71 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.992 -0.549 . . . . 0.0 112.25 -178.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 15' ' ' GLN . . . . . 0.648 ' HG3' ' HB3' ' I' ' 12' ' ' SER . 75.5 mt-30 -72.53 -41.02 66.29 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.715 0.293 . . . . 0.0 110.363 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 16' ' ' LEU . . . . . . . . . . . . . 82.8 mt -66.78 -35.1 79.29 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.914 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 17' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -57.07 -25.7 59.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.669 -0.696 . . . . 0.0 112.454 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 18' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -71.48 -15.26 62.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.839 0.352 . . . . 0.0 111.365 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 19' ' ' TYR . . . . . 0.508 ' HD1' ' HE1' ' J' ' 25' ' ' PHE . 60.8 m-85 -106.55 -3.63 20.58 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.949 0.404 . . . . 0.0 110.842 -179.056 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 20' ' ' CYS . . . . . . . . . . . . . 11.8 t -73.8 151.76 40.49 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.079 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 21' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.748 -0.644 . . . . 0.0 110.205 -179.514 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' J' J ' 1' ' ' PHE . . . . . . . . . . . . . 7.5 p90 . . . . . 0 N--CA 1.488 1.435 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' J' J ' 2' ' ' VAL . . . . . 0.72 HG11 HD12 ' J' ' 6' ' ' LEU . 27.4 m 39.47 -138.21 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 124.119 0.968 . . . . 0.0 113.26 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 3' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -158.21 -171.93 3.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.821 0.344 . . . . 0.0 110.449 -178.319 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 4' ' ' GLN . . . . . 0.44 ' HG3' ' CG1' ' I' ' 3' ' ' VAL . 6.0 tt0 -49.51 -34.58 17.59 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 124.375 1.07 . . . . 0.0 111.398 178.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 5' ' ' HIS . . . . . 0.418 ' HE1' ' HA2' ' L' ' 20' ' ' GLY . 56.4 t60 -57.83 -15.87 9.75 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 115.205 -0.907 . . . . 0.0 113.058 -178.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 6' ' ' LEU . . . . . 0.72 HD12 HG11 ' J' ' 2' ' ' VAL . 43.7 mt -126.84 -20.73 4.18 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.385 0.612 . . . . 0.0 110.707 179.155 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 7' ' ' CYS . . . . . 0.523 ' SG ' HG13 ' B' ' 2' ' ' VAL . 1.3 t -75.84 -33.31 60.03 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.495 179.702 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 8' ' ' GLY . . . . . 0.571 ' HA3' ' OH ' ' J' ' 26' ' ' TYR . . . -70.58 -21.81 77.78 Favored Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.937 -0.649 . . . . 0.0 113.89 -179.659 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 9' ' ' SER . . . . . 0.869 ' HB2' ' HG2' ' L' ' 13' ' ' GLU . 19.5 p -66.3 -15.9 63.6 Favored 'General case' 0 C--O 1.225 -0.209 0 CA-C-N 117.294 0.547 . . . . 0.0 110.737 -179.529 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 10' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -106.3 -20.87 13.26 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.806 -179.423 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 11' ' ' LEU . . . . . 0.577 HD11 ' HB2' ' I' ' 7' ' ' CYS . 73.5 mt -68.07 -37.23 81.01 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 177.168 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 12' ' ' VAL . . . . . 0.628 ' HA ' ' HB2' ' J' ' 15' ' ' LEU . 5.0 m -67.36 -33.49 62.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 115.01 -0.996 . . . . 0.0 111.761 179.535 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 13' ' ' GLU . . . . . 0.874 ' HG2' ' HB2' ' L' ' 9' ' ' SER . 43.9 mt-10 -56.69 -42.09 78.5 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 121.249 0.547 . . . . 0.0 110.234 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 14' ' ' ALA . . . . . 0.455 ' O ' HG23 ' J' ' 18' ' ' VAL . . . -81.27 -33.37 32.76 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.515 179.003 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 15' ' ' LEU . . . . . 0.628 ' HB2' ' HA ' ' J' ' 12' ' ' VAL . 3.1 mt -55.66 -54.71 40.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.496 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 16' ' ' TYR . . . . . 0.75 ' HB3' ' CE1' ' J' ' 24' ' ' PHE . 6.7 p90 -76.64 -14.47 59.97 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 119.492 -0.883 . . . . 0.0 111.248 -179.289 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 17' ' ' LEU . . . . . 0.552 HD23 HD23 ' D' ' 17' ' ' LEU . 34.7 tp -69.54 -35.29 75.3 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 178.115 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 18' ' ' VAL . . . . . 0.455 HG23 ' O ' ' J' ' 14' ' ' ALA . 94.3 t -67.34 -45.38 86.01 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.124 0 CA-C-N 114.867 -1.06 . . . . 0.0 109.475 178.37 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 19' ' ' CYS . . . . . 0.687 ' HB3' ' HB2' ' J' ' 22' ' ' ARG . 85.7 m -67.72 -43.99 78.7 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.911 179.759 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 20' ' ' GLY . . . . . 0.469 ' HA2' ' HE1' ' L' ' 5' ' ' HIS . . . 69.77 -86.58 0.28 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 121.35 -0.453 . . . . 0.0 112.62 179.372 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 21' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -89.82 -5.89 56.44 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.112 0.482 . . . . 0.0 110.573 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 22' ' ' ARG . . . . . 0.687 ' HB2' ' HB3' ' J' ' 19' ' ' CYS . 19.3 mtt85 -104.48 173.06 6.46 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.903 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 23' ' ' GLY . . . . . 0.84 ' HA2' ' HD2' ' L' ' 28' ' ' PRO . . . -113.28 -159.33 13.56 Favored Glycine 0 N--CA 1.447 -0.587 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 178.79 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 24' ' ' PHE . . . . . 0.75 ' CE1' ' HB3' ' J' ' 16' ' ' TYR . 8.3 p90 -173.91 158.56 3.21 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 117.221 0.51 . . . . 0.0 110.401 179.545 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 25' ' ' PHE . . . . . 0.508 ' HE1' ' HD1' ' I' ' 19' ' ' TYR . 3.8 p90 -105.42 121.78 44.62 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.363 0.601 . . . . 0.0 109.815 178.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 26' ' ' TYR . . . . . 0.571 ' OH ' ' HA3' ' J' ' 8' ' ' GLY . 76.4 t80 -113.32 124.2 51.92 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.077 -178.633 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 27' ' ' THR . . . . . 0.501 HG22 ' HA3' ' L' ' 23' ' ' GLY . 3.2 p -127.38 97.43 31.25 Favored Pre-proline 0 C--N 1.318 -0.785 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.671 179.503 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 28' ' ' PRO . . . . . 0.822 ' HA ' HG21 ' I' ' 3' ' ' VAL . 60.3 Cg_endo -73.54 53.36 2.65 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 123.049 2.499 . . . . 0.0 111.329 179.649 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 29' ' ' LYS . . . . . . . . . . . . . 30.5 tttt -118.09 -33.11 4.53 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.607 -1.178 . . . . 0.0 109.177 -179.23 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 30' ' ' THR . . . . . . . . . . . . . 9.2 m . . . . . 0 C--O 1.245 0.846 0 CA-C-O 118.2 -0.905 . . . . 0.0 108.692 179.716 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.297 0 N-CA-C 111.824 -0.51 . . . . 0.0 111.824 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' K' K ' 2' ' ' ILE . . . . . . . . . . . . . 4.3 tt -150.94 -40.82 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 C-N-CA 121.014 -0.274 . . . . 0.0 111.546 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 3' ' ' VAL . . . . . 0.817 HG21 ' HA ' ' L' ' 28' ' ' PRO . 3.2 t -83.12 -38.34 14.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -178.762 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' K' K ' 4' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -60.48 -44.07 96.3 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.869 0.366 . . . . 0.0 111.334 -179.082 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 5' ' ' GLN . . . . . 0.484 ' HG3' ' SG ' ' K' ' 11' ' ' CYS . 3.2 pt20 -73.35 -22.7 60.24 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 -179.035 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' K' K ' 6' ' ' CYS . . . . . . . . . . . . . 93.7 m -100.3 -32.9 10.63 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 113.464 0.913 . . . . 0.0 113.464 -177.238 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 7' ' ' CYS . . . . . 0.582 ' HB2' HD11 ' L' ' 11' ' ' LEU . 49.5 t -76.88 1.79 16.5 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -178.836 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' K' K ' 8' ' ' THR . . . . . 0.52 HG23 ' H ' ' K' ' 9' ' ' SER . 1.7 t -90.15 -65.18 1.04 Allowed 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.355 -0.538 . . . . 0.0 110.578 179.266 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' K' K ' 9' ' ' SER . . . . . 0.52 ' H ' HG23 ' K' ' 8' ' ' THR . 24.3 m -140.19 30.7 1.97 Allowed 'General case' 0 C--N 1.328 -0.341 0 O-C-N 122.178 -0.326 . . . . 0.0 111.606 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' K' K ' 10' ' ' ILE . . . . . 0.432 ' HB ' ' O ' ' K' ' 9' ' ' SER . 2.5 mp 70.97 144.47 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 CA-C-O 121.431 0.634 . . . . 0.0 111.474 179.441 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' K' K ' 11' ' ' CYS . . . . . 0.484 ' SG ' ' HG3' ' K' ' 5' ' ' GLN . 89.1 m -101.66 168.14 9.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.198 0.523 . . . . 0.0 111.793 -179.458 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' K' K ' 12' ' ' SER . . . . . 0.621 ' HB3' ' HG3' ' K' ' 15' ' ' GLN . 29.1 t -80.36 154.72 27.57 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.626 -0.716 . . . . 0.0 109.485 178.551 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' K' K ' 13' ' ' LEU . . . . . . . . . . . . . 21.2 tp -55.3 -45.82 76.26 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.419 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -65.47 -25.86 67.68 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.143 -178.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 15' ' ' GLN . . . . . 0.621 ' HG3' ' HB3' ' K' ' 12' ' ' SER . 76.4 mt-30 -73.14 -40.16 65.1 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.649 0.261 . . . . 0.0 110.377 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' K' K ' 16' ' ' LEU . . . . . . . . . . . . . 80.7 mt -67.67 -35.0 78.05 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.082 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 17' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -57.54 -24.44 56.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.699 -0.682 . . . . 0.0 112.239 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 18' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -71.65 -15.89 62.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.825 0.345 . . . . 0.0 111.152 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 19' ' ' TYR . . . . . 0.511 ' HD1' ' HE1' ' L' ' 25' ' ' PHE . 58.0 m-85 -106.31 -3.23 21.4 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.982 -179.071 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' K' K ' 20' ' ' CYS . . . . . . . . . . . . . 11.6 t -74.26 149.16 40.9 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.206 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 21' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 . . . . . 0 C--O 1.25 1.126 0 CA-C-O 118.679 -0.677 . . . . 0.0 110.105 -179.463 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' L' L ' 1' ' ' PHE . . . . . . . . . . . . . 6.6 p90 . . . . . 0 N--CA 1.485 1.289 0 N-CA-C 111.814 0.301 . . . . 0.0 111.814 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' L' L ' 2' ' ' VAL . . . . . 0.714 HG11 HD12 ' L' ' 6' ' ' LEU . 27.3 m 39.08 -137.17 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 124.274 1.029 . . . . 0.0 113.345 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' L' L ' 3' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -159.16 -172.34 3.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.741 0.305 . . . . 0.0 110.393 -178.416 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 4' ' ' GLN . . . . . 0.45 ' HG3' ' CG1' ' K' ' 3' ' ' VAL . 6.3 tt0 -49.43 -33.94 15.33 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 124.301 1.04 . . . . 0.0 111.49 179.041 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' L' L ' 5' ' ' HIS . . . . . 0.469 ' HE1' ' HA2' ' J' ' 20' ' ' GLY . 56.8 t60 -58.55 -15.52 11.66 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 115.342 -0.844 . . . . 0.0 112.998 -178.822 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' L' L ' 6' ' ' LEU . . . . . 0.714 HD12 HG11 ' L' ' 2' ' ' VAL . 42.5 mt -126.8 -21.34 4.07 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.364 0.602 . . . . 0.0 110.818 179.18 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' L' L ' 7' ' ' CYS . . . . . 0.536 ' SG ' HG13 ' H' ' 2' ' ' VAL . 1.4 t -75.4 -33.43 60.98 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.585 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' L' L ' 8' ' ' GLY . . . . . 0.573 ' HA3' ' OH ' ' L' ' 26' ' ' TYR . . . -70.14 -22.77 77.43 Favored Glycine 0 N--CA 1.447 -0.584 0 CA-C-N 115.716 -0.675 . . . . 0.0 113.729 -179.709 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' L' L ' 9' ' ' SER . . . . . 0.874 ' HB2' ' HG2' ' J' ' 13' ' ' GLU . 19.9 p -65.79 -16.0 63.4 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 117.297 0.548 . . . . 0.0 110.752 -179.552 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' L' L ' 10' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -106.1 -20.96 13.25 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.752 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 11' ' ' LEU . . . . . 0.582 HD11 ' HB2' ' K' ' 7' ' ' CYS . 72.6 mt -68.06 -37.46 81.31 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 177.253 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' L' L ' 12' ' ' VAL . . . . . 0.642 ' HA ' ' HB2' ' L' ' 15' ' ' LEU . 4.8 m -67.21 -33.27 61.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 115.074 -0.966 . . . . 0.0 111.848 179.599 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' L' L ' 13' ' ' GLU . . . . . 0.869 ' HG2' ' HB2' ' J' ' 9' ' ' SER . 43.2 mt-10 -56.71 -42.07 78.5 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-O 121.315 0.579 . . . . 0.0 110.185 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' L' L ' 14' ' ' ALA . . . . . 0.462 ' O ' HG23 ' L' ' 18' ' ' VAL . . . -81.35 -33.49 32.38 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.61 178.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' L' L ' 15' ' ' LEU . . . . . 0.642 ' HB2' ' HA ' ' L' ' 12' ' ' VAL . 3.0 mt -55.39 -54.67 40.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.491 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' L' L ' 16' ' ' TYR . . . . . 0.759 ' HB3' ' CE1' ' L' ' 24' ' ' PHE . 6.6 p90 -76.96 -14.55 59.84 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 119.721 -0.792 . . . . 0.0 111.152 -179.311 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' L' L ' 17' ' ' LEU . . . . . 0.542 HD23 HD23 ' F' ' 17' ' ' LEU . 32.7 tp -69.65 -34.59 74.23 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 177.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' L' L ' 18' ' ' VAL . . . . . 0.462 HG23 ' O ' ' L' ' 14' ' ' ALA . 94.4 t -67.91 -45.2 84.39 Favored 'Isoleucine or valine' 0 C--O 1.231 0.12 0 CA-C-N 115.111 -0.95 . . . . 0.0 109.53 178.221 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' L' L ' 19' ' ' CYS . . . . . 0.682 ' HB3' ' HB2' ' L' ' 22' ' ' ARG . 89.3 m -68.38 -42.33 79.28 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.069 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' L' L ' 20' ' ' GLY . . . . . 0.418 ' HA2' ' HE1' ' J' ' 5' ' ' HIS . . . 67.72 -86.21 0.16 Allowed Glycine 0 N--CA 1.451 -0.314 0 CA-C-N 116.262 -0.426 . . . . 0.0 113.004 179.422 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' L' L ' 21' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -88.89 -7.46 56.06 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.638 0.256 . . . . 0.0 110.687 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 22' ' ' ARG . . . . . 0.682 ' HB2' ' HB3' ' L' ' 19' ' ' CYS . 19.6 mtt85 -103.55 173.72 6.18 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.167 -179.71 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' L' L ' 23' ' ' GLY . . . . . 0.822 ' HA2' ' HD2' ' J' ' 28' ' ' PRO . . . -113.83 -159.25 13.11 Favored Glycine 0 N--CA 1.449 -0.498 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 178.807 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' L' L ' 24' ' ' PHE . . . . . 0.759 ' CE1' ' HB3' ' L' ' 16' ' ' TYR . 8.9 p90 -173.68 158.78 3.4 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 117.145 0.472 . . . . 0.0 110.485 179.438 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' L' L ' 25' ' ' PHE . . . . . 0.511 ' HE1' ' HD1' ' K' ' 19' ' ' TYR . 3.8 p90 -104.99 123.9 48.59 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 178.777 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' L' L ' 26' ' ' TYR . . . . . 0.573 ' OH ' ' HA3' ' L' ' 8' ' ' GLY . 77.9 t80 -115.72 123.44 48.29 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.998 -178.511 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' L' L ' 27' ' ' THR . . . . . 0.468 HG22 ' HA3' ' J' ' 23' ' ' GLY . 5.5 p -126.59 97.41 33.62 Favored Pre-proline 0 C--N 1.317 -0.834 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.812 179.618 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' L' L ' 28' ' ' PRO . . . . . 0.84 ' HD2' ' HA2' ' J' ' 23' ' ' GLY . 61.6 Cg_endo -73.6 52.69 2.53 Favored 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 122.978 2.452 . . . . 0.0 111.435 179.629 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' L' L ' 29' ' ' LYS . . . . . . . . . . . . . 29.3 tttt . . . . . 0 C--N 1.32 -0.705 0 CA-C-N 114.621 -1.172 . . . . 0.0 109.265 -179.208 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.23 0 N-CA-C 111.475 -0.65 . . . . 0.0 111.475 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.9 tt 177.61 -40.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.414 0.626 . . . . 0.0 110.524 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 97.3 t -59.92 -34.21 55.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.303 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.532 ' H ' ' CD ' ' A' ' 4' ' ' GLU . 2.5 mp0 -57.63 -22.99 48.76 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 113.072 0.768 . . . . 0.0 113.072 -179.041 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.448 ' HG3' ' SG ' ' A' ' 11' ' ' CYS . 14.5 pt20 -124.93 -38.23 2.37 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -178.721 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 78.7 m -78.89 -25.54 43.84 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.052 0.389 . . . . 0.0 112.052 -178.467 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.795 ' HB2' HD11 ' B' ' 11' ' ' LEU . 41.0 t -98.04 -6.47 31.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.955 0.407 . . . . 0.0 111.297 -179.698 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.7 p -90.97 -61.36 1.69 Allowed 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.117 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.486 ' O ' ' HB ' ' A' ' 10' ' ' ILE . 13.3 p -130.06 15.39 5.71 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -179.488 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.549 HD11 ' HB ' ' F' ' 2' ' ' VAL . 2.2 mp 73.5 136.03 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-O 121.46 0.647 . . . . 0.0 111.402 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.448 ' SG ' ' HG3' ' A' ' 5' ' ' GLN . 91.2 m -91.79 158.81 16.14 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.793 179.407 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 26.1 t -74.99 166.45 23.64 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.179 179.347 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.2 tt -57.98 -60.41 3.76 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.311 -179.246 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -65.38 -19.43 65.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.017 0.437 . . . . 0.0 110.978 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -75.31 -31.45 60.65 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.252 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 84.2 mt -71.74 -29.69 64.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.134 0.492 . . . . 0.0 110.045 178.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -63.76 -15.95 59.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.436 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -69.39 -18.5 63.77 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.196 0.522 . . . . 0.0 110.292 178.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 55.3 m-85 -104.44 -2.79 24.87 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.145 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.424 ' HA ' ' CB ' ' B' ' 24' ' ' PHE . 3.7 t -88.33 -176.33 5.32 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.613 179.642 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 48.0 m-20 . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.459 -0.781 . . . . 0.0 110.813 179.768 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 49.2 t80 . . . . . 0 N--CA 1.483 1.192 0 N-CA-C 110.549 -0.167 . . . . 0.0 110.549 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 2' ' ' VAL . . . . . 0.522 ' HB ' HD11 ' I' ' 10' ' ' ILE . 11.5 m 47.97 -159.16 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 C-N-CA 124.587 1.155 . . . . 0.0 112.677 -179.352 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 3' ' ' ASN . . . . . 0.472 ' CG ' ' H ' ' B' ' 4' ' ' GLN . 43.3 t30 -150.33 -167.58 2.86 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.955 0.407 . . . . 0.0 111.079 -178.161 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 4' ' ' GLN . . . . . 0.472 ' H ' ' CG ' ' B' ' 3' ' ' ASN . 29.0 tt0 -49.1 -35.91 17.45 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 124.019 0.928 . . . . 0.0 112.297 179.612 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 5' ' ' HIS . . . . . 0.595 ' CE1' ' HG ' ' D' ' 17' ' ' LEU . 19.1 t-80 -59.0 -18.29 32.89 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -178.61 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.516 HD12 HG11 ' B' ' 2' ' ' VAL . 25.2 mt -120.07 -20.22 7.51 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.142 0.496 . . . . 0.0 110.802 179.072 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 7' ' ' CYS . . . . . 0.458 ' O ' ' HG ' ' B' ' 11' ' ' LEU . 36.6 t -75.88 -44.3 41.28 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.568 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 8' ' ' GLY . . . . . 0.585 ' O ' HG22 ' B' ' 12' ' ' VAL . . . -61.24 -27.24 67.2 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 121.168 -0.539 . . . . 0.0 112.798 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 9' ' ' SER . . . . . 0.428 ' O ' ' HG2' ' D' ' 13' ' ' GLU . 7.1 m -57.67 -27.23 62.68 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 122.96 0.504 . . . . 0.0 111.209 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 10' ' ' HIS . . . . . 0.624 ' HA ' ' HG3' ' B' ' 13' ' ' GLU . 95.1 m-70 -104.63 -12.08 16.59 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.454 -178.596 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.795 HD11 ' HB2' ' A' ' 7' ' ' CYS . 47.3 mt -74.32 -38.18 63.37 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 177.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.585 HG22 ' O ' ' B' ' 8' ' ' GLY . 0.7 OUTLIER -67.78 -30.3 48.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.082 -0.963 . . . . 0.0 111.941 179.723 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.624 ' HG3' ' HA ' ' B' ' 10' ' ' HIS . 25.7 mt-10 -57.39 -54.99 40.57 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 121.079 0.466 . . . . 0.0 109.831 179.792 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.16 -32.9 72.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.905 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.564 ' HB2' ' HA ' ' B' ' 12' ' ' VAL . 2.5 mt -52.78 -62.68 1.49 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.047 -0.524 . . . . 0.0 112.013 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 16' ' ' TYR . . . . . 0.74 ' HB3' ' CE1' ' B' ' 24' ' ' PHE . 3.2 p90 -76.67 -16.37 59.55 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 119.813 -0.755 . . . . 0.0 111.166 -179.094 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.493 ' HB2' ' O ' ' B' ' 13' ' ' GLU . 7.9 tt -68.36 -40.29 81.54 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 178.815 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 52.2 t -67.67 -43.78 86.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.692 178.481 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' CYS . . . . . 0.994 ' HB3' ' HB3' ' B' ' 22' ' ' ARG . 73.6 m -67.66 -37.84 82.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.273 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.53 -108.03 2.59 Favored Glycine 0 N--CA 1.451 -0.336 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -179.488 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.522 ' O ' ' HD2' ' D' ' 29' ' ' LYS . 56.0 mt-10 -96.85 51.8 1.15 Allowed 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 178.134 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 22' ' ' ARG . . . . . 0.994 ' HB3' ' HB3' ' B' ' 19' ' ' CYS . 74.7 ttt180 -140.96 131.02 24.66 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.799 -1.091 . . . . 0.0 109.181 -178.576 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 23' ' ' GLY . . . . . 0.659 ' HA3' HG22 ' D' ' 27' ' ' THR . . . -83.36 170.86 49.34 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.673 -0.775 . . . . 0.0 113.477 -178.487 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 24' ' ' PHE . . . . . 0.74 ' CE1' ' HB3' ' B' ' 16' ' ' TYR . 11.2 p90 -154.43 170.72 20.71 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-O 121.124 0.488 . . . . 0.0 110.295 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -116.66 132.59 56.65 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -129.96 119.16 22.77 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.122 0.487 . . . . 0.0 110.997 -179.478 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' THR . . . . . 0.661 HG22 ' HA3' ' D' ' 23' ' ' GLY . 9.3 p -123.1 101.85 38.03 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.39 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 28' ' ' PRO . . . . . 0.588 ' HD2' ' HA2' ' D' ' 23' ' ' GLY . 90.4 Cg_endo -78.84 50.72 3.55 Favored 'Trans proline' 0 C--O 1.234 0.281 0 C-N-CA 122.527 2.151 . . . . 0.0 111.743 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.503 ' HD2' ' O ' ' D' ' 21' ' ' GLU . 63.2 tttm -153.01 92.55 1.64 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.388 -179.497 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 5.2 m . . . . . 0 C--O 1.25 1.117 0 CA-C-O 118.105 -0.95 . . . . 0.0 110.234 -178.848 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.656 0 N-CA-C 112.56 -0.216 . . . . 0.0 112.56 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 7.9 tt 179.82 -40.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 121.161 0.505 . . . . 0.0 110.174 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 96.5 t -59.76 -33.41 52.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.366 -179.626 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 4' ' ' GLU . . . . . 0.498 ' H ' ' CD ' ' C' ' 4' ' ' GLU . 2.3 mp0 -57.76 -24.83 58.99 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.772 -178.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 5' ' ' GLN . . . . . 0.454 ' HG3' ' SG ' ' C' ' 11' ' ' CYS . 14.2 pt20 -123.33 -38.04 2.61 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 -179.055 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 76.5 m -78.59 -25.29 45.21 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -178.372 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 7' ' ' CYS . . . . . 0.784 ' HB2' HD11 ' D' ' 11' ' ' LEU . 41.1 t -98.19 -6.18 31.86 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.199 -179.719 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 2.8 p -91.26 -61.15 1.72 Allowed 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.726 -0.39 . . . . 0.0 111.232 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 9' ' ' SER . . . . . 0.507 ' O ' ' HB ' ' C' ' 10' ' ' ILE . 15.3 p -130.39 16.02 5.5 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -179.495 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 10' ' ' ILE . . . . . 0.538 HD11 ' HB ' ' L' ' 2' ' ' VAL . 2.2 mp 73.15 136.71 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-O 121.413 0.625 . . . . 0.0 111.504 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 11' ' ' CYS . . . . . 0.454 ' SG ' ' HG3' ' C' ' 5' ' ' GLN . 95.3 m -92.42 158.5 16.02 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.693 179.286 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 25.1 t -74.92 166.98 22.78 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.128 179.276 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 10.3 tt -58.21 -60.15 4.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.337 -179.189 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -65.68 -19.72 66.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.195 0.521 . . . . 0.0 110.901 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -74.88 -32.02 61.75 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.245 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 79.9 mt -70.94 -29.55 65.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.174 178.712 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -63.88 -15.99 60.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.548 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -68.99 -19.03 64.14 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 121.143 0.497 . . . . 0.0 110.442 178.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -104.01 -2.44 26.03 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.072 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 20' ' ' CYS . . . . . 0.424 ' HA ' ' HB3' ' D' ' 24' ' ' PHE . 3.9 t -89.3 -178.5 5.64 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.157 -0.929 . . . . 0.0 109.663 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 65.4 m-20 . . . . . 0 C--O 1.251 1.165 0 CA-C-O 118.443 -0.789 . . . . 0.0 110.523 179.828 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 48.6 t80 . . . . . 0 N--CA 1.485 1.275 0 CA-C-O 120.572 0.225 . . . . 0.0 110.727 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' D' D ' 2' ' ' VAL . . . . . 0.543 ' HB ' HD11 ' G' ' 10' ' ' ILE . 11.9 m 47.0 -158.88 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 124.562 1.145 . . . . 0.0 112.723 -179.543 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 3' ' ' ASN . . . . . 0.456 ' CG ' ' H ' ' D' ' 4' ' ' GLN . 39.4 t30 -150.14 -167.64 2.88 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.902 0.382 . . . . 0.0 111.192 -178.279 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 4' ' ' GLN . . . . . 0.456 ' H ' ' CG ' ' D' ' 3' ' ' ASN . 30.0 tt0 -48.95 -36.68 17.99 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 123.983 0.913 . . . . 0.0 112.167 179.707 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 5' ' ' HIS . . . . . 0.451 ' CD2' HG21 ' G' ' 10' ' ' ILE . 57.5 t60 -58.27 -18.42 26.69 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 112.751 0.649 . . . . 0.0 112.751 -178.685 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 6' ' ' LEU . . . . . 0.519 HD12 HG11 ' D' ' 2' ' ' VAL . 25.1 mt -119.8 -20.41 7.61 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.368 0.604 . . . . 0.0 110.814 179.16 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 7' ' ' CYS . . . . . 0.463 ' O ' ' HG ' ' D' ' 11' ' ' LEU . 36.7 t -75.67 -44.41 42.47 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.59 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 8' ' ' GLY . . . . . 0.58 ' O ' HG22 ' D' ' 12' ' ' VAL . . . -61.46 -26.7 66.75 Favored Glycine 0 C--N 1.332 0.307 0 C-N-CA 121.277 -0.487 . . . . 0.0 112.697 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 9' ' ' SER . . . . . 0.449 ' O ' ' HG2' ' B' ' 13' ' ' GLU . 5.6 m -58.1 -27.07 63.37 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.08 0.467 . . . . 0.0 111.29 -179.753 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 10' ' ' HIS . . . . . 0.651 ' HA ' ' HG3' ' D' ' 13' ' ' GLU . 94.7 m-70 -104.83 -12.06 16.47 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.463 -178.535 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 11' ' ' LEU . . . . . 0.784 HD11 ' HB2' ' C' ' 7' ' ' CYS . 48.2 mt -74.23 -38.45 63.52 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 177.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 12' ' ' VAL . . . . . 0.58 HG22 ' O ' ' D' ' 8' ' ' GLY . 0.7 OUTLIER -67.49 -30.26 48.3 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-N 115.124 -0.944 . . . . 0.0 112.025 179.643 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 13' ' ' GLU . . . . . 0.651 ' HG3' ' HA ' ' D' ' 10' ' ' HIS . 25.2 mt-10 -57.27 -55.14 38.66 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.2 -32.63 72.04 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.93 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 15' ' ' LEU . . . . . 0.565 ' HB2' ' HA ' ' D' ' 12' ' ' VAL . 2.6 mt -52.93 -63.25 1.21 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.9 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 16' ' ' TYR . . . . . 0.742 ' HB3' ' CE1' ' D' ' 24' ' ' PHE . 3.2 p90 -76.03 -16.26 59.98 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.026 -0.669 . . . . 0.0 111.153 -178.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 17' ' ' LEU . . . . . 0.595 ' HG ' ' CE1' ' B' ' 5' ' ' HIS . 8.1 tt -68.71 -40.87 79.78 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 178.79 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 52.8 t -66.94 -44.36 88.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.353 -0.839 . . . . 0.0 109.661 178.229 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 19' ' ' CYS . . . . . 0.992 ' HB3' ' HB3' ' D' ' 22' ' ' ARG . 75.1 m -67.32 -37.94 84.13 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.434 179.777 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.51 -107.75 2.53 Favored Glycine 0 N--CA 1.451 -0.364 0 N-CA-C 111.452 -0.659 . . . . 0.0 111.452 -179.325 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 21' ' ' GLU . . . . . 0.503 ' O ' ' HD2' ' B' ' 29' ' ' LYS . 52.4 mt-10 -96.94 51.43 1.13 Allowed 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 178.213 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 22' ' ' ARG . . . . . 0.992 ' HB3' ' HB3' ' D' ' 19' ' ' CYS . 74.5 ttt180 -140.41 132.66 28.19 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 114.825 -1.08 . . . . 0.0 109.006 -178.544 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 23' ' ' GLY . . . . . 0.661 ' HA3' HG22 ' B' ' 27' ' ' THR . . . -84.44 170.56 46.7 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.803 -0.713 . . . . 0.0 113.396 -178.662 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 24' ' ' PHE . . . . . 0.742 ' CE1' ' HB3' ' D' ' 16' ' ' TYR . 10.9 p90 -154.4 170.8 20.49 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-O 121.166 0.508 . . . . 0.0 110.505 179.728 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 25' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -116.7 132.19 56.75 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.292 179.661 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 26' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -129.51 119.31 23.5 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.211 0.529 . . . . 0.0 110.998 -179.47 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 27' ' ' THR . . . . . 0.659 HG22 ' HA3' ' B' ' 23' ' ' GLY . 6.7 p -123.53 101.78 36.74 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.344 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 28' ' ' PRO . . . . . 0.569 ' HD2' ' HA2' ' B' ' 23' ' ' GLY . 95.6 Cg_endo -79.47 51.58 3.94 Favored 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 122.76 2.307 . . . . 0.0 111.686 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 29' ' ' LYS . . . . . 0.522 ' HD2' ' O ' ' B' ' 21' ' ' GLU . 63.0 tttm -154.08 90.09 1.34 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.853 -179.364 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 16.0 m . . . . . 0 C--O 1.252 1.186 0 CA-C-O 118.167 -0.921 . . . . 0.0 110.162 -179.074 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.556 0 CA-C-O 121.104 0.28 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' E' E ' 2' ' ' ILE . . . . . . . . . . . . . 7.6 tt -178.1 -39.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.15 0.5 . . . . 0.0 110.246 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 91.7 t -59.84 -33.47 52.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.487 -0.778 . . . . 0.0 111.5 -179.484 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 4' ' ' GLU . . . . . 0.496 ' H ' ' CD ' ' E' ' 4' ' ' GLU . 2.4 mp0 -58.39 -23.15 56.25 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -178.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 5' ' ' GLN . . . . . 0.453 ' HG3' ' SG ' ' E' ' 11' ' ' CYS . 14.6 pt20 -124.28 -38.64 2.41 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -179.056 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 6' ' ' CYS . . . . . . . . . . . . . 79.4 m -78.63 -25.04 44.99 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -178.43 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 7' ' ' CYS . . . . . 0.773 ' HB2' HD11 ' F' ' 11' ' ' LEU . 41.5 t -98.02 -6.86 31.04 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.998 0.428 . . . . 0.0 111.375 -179.787 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 2.7 p -90.71 -62.33 1.48 Allowed 'General case' 0 C--N 1.323 -0.554 0 O-C-N 122.158 -0.339 . . . . 0.0 111.114 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 9' ' ' SER . . . . . 0.48 ' O ' ' HB ' ' E' ' 10' ' ' ILE . 17.5 p -129.37 16.85 6.01 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -179.534 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 10' ' ' ILE . . . . . 0.533 HD11 ' HB ' ' J' ' 2' ' ' VAL . 2.2 mp 72.46 138.22 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 CA-C-O 121.449 0.642 . . . . 0.0 111.485 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 11' ' ' CYS . . . . . 0.453 ' SG ' ' HG3' ' E' ' 5' ' ' GLN . 89.3 m -93.89 158.45 15.64 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.73 179.35 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 12' ' ' SER . . . . . . . . . . . . . 22.8 t -74.77 166.18 24.03 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.14 179.22 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 10.2 tt -57.29 -60.6 3.38 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.456 -179.077 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -65.02 -20.24 66.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.294 0.568 . . . . 0.0 110.88 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -74.42 -32.19 62.57 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.286 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 16' ' ' LEU . . . . . . . . . . . . . 82.7 mt -71.16 -29.75 65.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.165 178.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 17' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -63.67 -17.65 63.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.411 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 18' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -67.11 -20.56 65.8 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.125 0.488 . . . . 0.0 110.493 178.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 19' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -102.79 -0.67 31.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.409 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 20' ' ' CYS . . . . . 0.423 ' HA ' ' HB3' ' F' ' 24' ' ' PHE . 3.9 t -90.56 -177.12 4.96 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.544 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 21' ' ' ASN . . . . . . . . . . . . . 60.5 m-20 . . . . . 0 C--O 1.245 0.854 0 CA-C-O 118.67 -0.681 . . . . 0.0 110.397 179.603 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' F' F ' 1' ' ' PHE . . . . . . . . . . . . . 47.2 t80 . . . . . 0 N--CA 1.48 1.066 0 CA-C-O 120.46 0.171 . . . . 0.0 110.813 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' F' F ' 2' ' ' VAL . . . . . 0.549 ' HB ' HD11 ' A' ' 10' ' ' ILE . 10.9 m 47.88 -158.55 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 124.716 1.206 . . . . 0.0 112.679 -179.42 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 3' ' ' ASN . . . . . 0.432 ' CG ' ' H ' ' F' ' 4' ' ' GLN . 36.0 t30 -151.38 -167.9 2.93 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.848 0.356 . . . . 0.0 111.047 -178.092 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 4' ' ' GLN . . . . . 0.432 ' H ' ' CG ' ' F' ' 3' ' ' ASN . 29.4 tt0 -48.28 -37.21 15.75 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 124.07 0.948 . . . . 0.0 112.252 179.747 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 5' ' ' HIS . . . . . 0.624 ' CE1' ' HG ' ' H' ' 17' ' ' LEU . 17.7 t-80 -57.85 -18.98 25.73 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -178.648 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 6' ' ' LEU . . . . . 0.507 HD12 HG11 ' F' ' 2' ' ' VAL . 26.2 mt -119.43 -19.75 8.09 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.266 0.555 . . . . 0.0 110.964 179.131 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 7' ' ' CYS . . . . . 0.452 ' O ' ' HG ' ' F' ' 11' ' ' LEU . 35.7 t -76.12 -44.66 37.5 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.667 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 8' ' ' GLY . . . . . 0.574 ' O ' HG22 ' F' ' 12' ' ' VAL . . . -60.99 -26.88 66.21 Favored Glycine 0 N--CA 1.453 -0.216 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.676 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 9' ' ' SER . . . . . 0.435 ' O ' ' HG2' ' H' ' 13' ' ' GLU . 6.8 m -57.85 -27.45 63.24 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 123.047 0.539 . . . . 0.0 111.124 -179.644 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 10' ' ' HIS . . . . . 0.637 ' HA ' ' HG3' ' F' ' 13' ' ' GLU . 94.9 m-70 -104.53 -12.2 16.6 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.538 -178.598 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 11' ' ' LEU . . . . . 0.773 HD11 ' HB2' ' E' ' 7' ' ' CYS . 46.2 mt -74.29 -38.16 63.45 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 177.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 12' ' ' VAL . . . . . 0.574 HG22 ' O ' ' F' ' 8' ' ' GLY . 0.8 OUTLIER -67.76 -30.24 47.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.257 -0.883 . . . . 0.0 112.14 179.694 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' F' F ' 13' ' ' GLU . . . . . 0.637 ' HG3' ' HA ' ' F' ' 10' ' ' HIS . 25.5 mt-10 -57.35 -55.26 37.11 Favored 'General case' 0 CA--C 1.519 -0.232 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.19 -32.39 71.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.1 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 15' ' ' LEU . . . . . 0.556 ' HB2' ' HA ' ' F' ' 12' ' ' VAL . 2.2 mt -52.93 -62.9 1.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.944 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 16' ' ' TYR . . . . . 0.739 ' HB3' ' CE1' ' F' ' 24' ' ' PHE . 3.2 p90 -76.18 -16.82 59.78 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.048 -0.661 . . . . 0.0 111.019 -179.235 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 17' ' ' LEU . . . . . 0.592 ' HG ' ' CE1' ' H' ' 5' ' ' HIS . 8.2 tt -68.42 -39.38 81.6 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 178.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 54.2 t -68.63 -42.87 83.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.496 -0.774 . . . . 0.0 109.755 178.274 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 19' ' ' CYS . . . . . 0.98 ' HB3' ' HB3' ' F' ' 22' ' ' ARG . 73.4 m -68.74 -36.86 78.94 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.578 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.81 -108.47 2.62 Favored Glycine 0 N--CA 1.45 -0.407 0 N-CA-C 111.383 -0.687 . . . . 0.0 111.383 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 21' ' ' GLU . . . . . 0.499 ' O ' ' HD2' ' H' ' 29' ' ' LYS . 55.8 mt-10 -96.24 51.37 1.21 Allowed 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 178.047 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 22' ' ' ARG . . . . . 0.98 ' HB3' ' HB3' ' F' ' 19' ' ' CYS . 74.2 ttt180 -140.27 131.44 26.47 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.892 -1.049 . . . . 0.0 109.13 -178.619 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 23' ' ' GLY . . . . . 0.684 ' HA3' HG22 ' H' ' 27' ' ' THR . . . -83.01 170.99 50.24 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.872 -0.68 . . . . 0.0 113.335 -178.721 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 24' ' ' PHE . . . . . 0.739 ' CE1' ' HB3' ' F' ' 16' ' ' TYR . 11.1 p90 -155.15 170.21 22.34 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-O 121.037 0.446 . . . . 0.0 110.183 179.715 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 25' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -116.33 132.03 56.78 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.208 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 26' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -129.0 119.85 24.99 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.183 0.516 . . . . 0.0 110.916 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 27' ' ' THR . . . . . 0.697 HG22 ' HA3' ' H' ' 23' ' ' GLY . 7.6 p -123.96 101.74 35.39 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.54 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 28' ' ' PRO . . . . . 0.582 ' HD2' ' HA2' ' H' ' 23' ' ' GLY . 88.5 Cg_endo -79.3 52.39 4.26 Favored 'Trans proline' 0 C--O 1.234 0.31 0 C-N-CA 122.785 2.323 . . . . 0.0 111.68 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 29' ' ' LYS . . . . . 0.529 ' HD2' ' O ' ' H' ' 21' ' ' GLU . 62.2 tttm -155.07 91.5 1.36 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.527 -179.485 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 30' ' ' THR . . . . . . . . . . . . . 5.5 m . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.165 -0.921 . . . . 0.0 110.264 -179.011 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' G' G ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.734 0 N-CA-C 112.615 -0.194 . . . . 0.0 112.615 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' G' G ' 2' ' ' ILE . . . . . . . . . . . . . 7.6 tt -179.94 -39.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.401 0.619 . . . . 0.0 110.276 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 3' ' ' VAL . . . . . 0.406 ' O ' ' HB3' ' G' ' 7' ' ' CYS . 98.6 t -60.11 -33.61 53.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.479 -179.782 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 4' ' ' GLU . . . . . 0.51 ' H ' ' CD ' ' G' ' 4' ' ' GLU . 2.3 mp0 -58.25 -23.21 55.24 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.97 0.73 . . . . 0.0 112.97 -178.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 5' ' ' GLN . . . . . 0.453 ' HG3' ' SG ' ' G' ' 11' ' ' CYS . 14.7 pt20 -124.38 -38.97 2.37 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -179.227 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 6' ' ' CYS . . . . . . . . . . . . . 82.5 m -78.17 -24.19 47.36 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -178.411 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 7' ' ' CYS . . . . . 0.795 ' HB2' HD11 ' H' ' 11' ' ' LEU . 41.6 t -99.36 -6.36 27.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.069 0.461 . . . . 0.0 111.309 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 8' ' ' THR . . . . . . . . . . . . . 2.0 p -90.65 -62.32 1.48 Allowed 'General case' 0 C--N 1.323 -0.564 0 O-C-N 122.09 -0.381 . . . . 0.0 110.996 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 9' ' ' SER . . . . . 0.507 ' O ' ' HB ' ' G' ' 10' ' ' ILE . 17.0 p -129.49 15.22 6.04 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -179.478 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 10' ' ' ILE . . . . . 0.543 HD11 ' HB ' ' D' ' 2' ' ' VAL . 2.2 mp 74.34 136.96 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 CA-C-O 121.483 0.658 . . . . 0.0 111.524 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 11' ' ' CYS . . . . . 0.453 ' SG ' ' HG3' ' G' ' 5' ' ' GLN . 92.1 m -92.43 159.81 15.37 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.647 179.343 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 12' ' ' SER . . . . . . . . . . . . . 22.8 t -76.12 167.84 21.13 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.286 -0.415 . . . . 0.0 109.966 179.305 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 13' ' ' LEU . . . . . . . . . . . . . 10.3 tt -58.98 -60.37 3.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.436 -179.113 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 3.4 p90 -64.8 -20.75 66.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.133 0.492 . . . . 0.0 110.769 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -73.77 -32.78 63.96 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.331 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 16' ' ' LEU . . . . . . . . . . . . . 82.4 mt -70.73 -29.72 66.05 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.211 178.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 17' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -63.61 -16.58 61.27 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.514 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 18' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -68.56 -18.35 64.32 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.083 0.468 . . . . 0.0 110.514 178.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 19' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -104.87 -1.19 26.3 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.979 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 20' ' ' CYS . . . . . 0.408 ' HA ' ' CB ' ' H' ' 24' ' ' PHE . 3.7 t -90.59 -178.79 5.39 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.475 179.674 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 21' ' ' ASN . . . . . . . . . . . . . 63.4 m-20 . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.577 -0.725 . . . . 0.0 110.548 179.824 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' H' H ' 1' ' ' PHE . . . . . . . . . . . . . 48.0 t80 . . . . . 0 N--CA 1.482 1.147 0 CA-C-O 120.561 0.219 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' H' H ' 2' ' ' VAL . . . . . 0.532 ' HB ' HD11 ' K' ' 10' ' ' ILE . 11.4 m 47.99 -159.09 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 124.548 1.139 . . . . 0.0 112.7 -179.461 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 3' ' ' ASN . . . . . 0.46 ' CG ' ' H ' ' H' ' 4' ' ' GLN . 37.3 t30 -150.51 -167.7 2.89 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.904 -0.318 . . . . 0.0 111.278 -178.204 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 4' ' ' GLN . . . . . 0.46 ' H ' ' CG ' ' H' ' 3' ' ' ASN . 28.7 tt0 -48.58 -36.77 16.3 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 124.0 0.92 . . . . 0.0 112.134 179.641 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 5' ' ' HIS . . . . . 0.592 ' CE1' ' HG ' ' F' ' 17' ' ' LEU . 18.3 t-80 -58.55 -18.14 27.2 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 -178.484 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 6' ' ' LEU . . . . . 0.527 HD12 HG11 ' H' ' 2' ' ' VAL . 24.2 mt -120.34 -20.04 7.41 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.217 0.532 . . . . 0.0 110.673 179.225 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 7' ' ' CYS . . . . . 0.45 ' O ' ' HG ' ' H' ' 11' ' ' LEU . 35.0 t -76.14 -44.17 39.52 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.65 179.685 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 8' ' ' GLY . . . . . 0.571 ' O ' HG22 ' H' ' 12' ' ' VAL . . . -61.31 -26.71 66.53 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 121.268 -0.491 . . . . 0.0 112.752 179.758 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 9' ' ' SER . . . . . 0.432 ' O ' ' HG2' ' F' ' 13' ' ' GLU . 5.7 m -57.98 -27.67 63.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.152 0.501 . . . . 0.0 111.167 -179.668 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 10' ' ' HIS . . . . . 0.639 ' HA ' ' HG3' ' H' ' 13' ' ' GLU . 94.4 m-70 -104.24 -11.98 16.91 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.396 -178.454 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 11' ' ' LEU . . . . . 0.795 HD11 ' HB2' ' G' ' 7' ' ' CYS . 47.5 mt -74.09 -38.41 63.89 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 177.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 12' ' ' VAL . . . . . 0.571 HG22 ' O ' ' H' ' 8' ' ' GLY . 0.8 OUTLIER -67.52 -30.28 48.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.115 -0.948 . . . . 0.0 111.89 179.706 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' H' H ' 13' ' ' GLU . . . . . 0.639 ' HG3' ' HA ' ' H' ' 10' ' ' HIS . 24.9 mt-10 -57.26 -55.65 32.03 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-O 121.032 0.444 . . . . 0.0 109.819 179.724 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.48 -33.05 73.47 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.097 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 15' ' ' LEU . . . . . 0.549 ' HB2' ' HA ' ' H' ' 12' ' ' VAL . 2.3 mt -52.51 -62.88 1.36 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.015 -179.724 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 16' ' ' TYR . . . . . 0.74 ' HB3' ' CE1' ' H' ' 24' ' ' PHE . 3.3 p90 -76.43 -16.43 59.69 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 120.06 -0.656 . . . . 0.0 111.1 -179.248 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 17' ' ' LEU . . . . . 0.624 ' HG ' ' CE1' ' F' ' 5' ' ' HIS . 8.1 tt -68.82 -39.36 80.05 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 178.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 49.5 t -68.45 -44.38 83.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.523 178.245 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 19' ' ' CYS . . . . . 0.992 ' HB3' ' HB3' ' H' ' 22' ' ' ARG . 74.5 m -66.92 -37.4 84.28 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.595 179.739 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.64 -108.01 2.53 Favored Glycine 0 N--CA 1.451 -0.351 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 21' ' ' GLU . . . . . 0.529 ' O ' ' HD2' ' F' ' 29' ' ' LYS . 54.2 mt-10 -96.45 51.1 1.17 Allowed 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 178.282 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 22' ' ' ARG . . . . . 0.992 ' HB3' ' HB3' ' H' ' 19' ' ' CYS . 73.7 ttt180 -139.41 133.04 30.48 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.846 -1.07 . . . . 0.0 108.928 -178.708 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 23' ' ' GLY . . . . . 0.697 ' HA3' HG22 ' F' ' 27' ' ' THR . . . -84.62 170.9 46.73 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.644 -0.789 . . . . 0.0 113.159 -178.734 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 24' ' ' PHE . . . . . 0.74 ' CE1' ' HB3' ' H' ' 16' ' ' TYR . 11.7 p90 -155.07 169.92 23.0 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-O 121.104 0.478 . . . . 0.0 110.41 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 25' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -116.09 132.51 56.64 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.348 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 26' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -129.3 119.53 24.1 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.119 0.485 . . . . 0.0 111.013 -179.492 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 27' ' ' THR . . . . . 0.684 HG22 ' HA3' ' F' ' 23' ' ' GLY . 7.1 p -123.64 101.61 36.54 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.445 179.75 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 28' ' ' PRO . . . . . 0.58 ' HD2' ' HA2' ' F' ' 23' ' ' GLY . 82.7 Cg_endo -78.79 50.63 3.51 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.759 2.306 . . . . 0.0 111.825 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 29' ' ' LYS . . . . . 0.499 ' HD2' ' O ' ' F' ' 21' ' ' GLU . 62.7 tttm -153.45 90.43 1.41 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.88 -179.476 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 30' ' ' THR . . . . . . . . . . . . . 6.2 m . . . . . 0 C--O 1.252 1.21 0 CA-C-O 118.106 -0.949 . . . . 0.0 109.998 -178.878 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' I' I ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.691 0 N-CA-C 112.232 -0.347 . . . . 0.0 112.232 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' I' I ' 2' ' ' ILE . . . . . . . . . . . . . 7.5 tt -179.91 -40.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-O 121.203 0.525 . . . . 0.0 110.108 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 3' ' ' VAL . . . . . 0.4 ' O ' ' HB3' ' I' ' 7' ' ' CYS . 99.6 t -59.34 -34.53 54.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.499 -179.667 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 4' ' ' GLU . . . . . 0.504 ' CD ' ' H ' ' I' ' 4' ' ' GLU . 2.5 mp0 -57.34 -22.87 45.26 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 -178.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 5' ' ' GLN . . . . . 0.46 ' HG3' ' SG ' ' I' ' 11' ' ' CYS . 14.7 pt20 -124.77 -38.98 2.31 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -179.029 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 6' ' ' CYS . . . . . . . . . . . . . 70.8 m -78.12 -24.57 47.41 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 112.335 0.495 . . . . 0.0 112.335 -178.497 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 7' ' ' CYS . . . . . 0.773 ' HB2' HD11 ' J' ' 11' ' ' LEU . 41.3 t -98.92 -5.8 30.06 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.929 0.395 . . . . 0.0 111.162 -179.805 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 8' ' ' THR . . . . . . . . . . . . . 2.4 p -91.39 -62.1 1.51 Allowed 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.959 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 9' ' ' SER . . . . . 0.504 ' O ' ' HB ' ' I' ' 10' ' ' ILE . 20.5 p -129.65 16.04 5.9 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -179.554 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 10' ' ' ILE . . . . . 0.522 HD11 ' HB ' ' B' ' 2' ' ' VAL . 2.2 mp 73.28 136.4 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 CA-C-O 121.627 0.727 . . . . 0.0 111.51 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 11' ' ' CYS . . . . . 0.46 ' SG ' ' HG3' ' I' ' 5' ' ' GLN . 92.3 m -92.06 158.69 16.08 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.844 179.269 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 12' ' ' SER . . . . . . . . . . . . . 30.0 t -75.22 166.92 22.87 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.145 179.242 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 13' ' ' LEU . . . . . . . . . . . . . 10.0 tt -57.48 -61.48 2.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.248 -179.269 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -64.86 -19.06 65.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.027 0.441 . . . . 0.0 111.186 -179.497 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -75.47 -32.14 60.5 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.083 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 16' ' ' LEU . . . . . . . . . . . . . 83.9 mt -70.89 -29.98 66.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.018 0.437 . . . . 0.0 110.184 178.674 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 17' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -63.67 -16.09 60.1 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.518 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 18' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -69.15 -18.44 63.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.109 0.481 . . . . 0.0 110.497 178.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 19' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -104.35 -2.68 25.16 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.14 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 20' ' ' CYS . . . . . 0.43 ' HA ' ' HB3' ' J' ' 24' ' ' PHE . 3.6 t -88.4 -176.59 5.39 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.783 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 21' ' ' ASN . . . . . . . . . . . . . 63.9 m-20 . . . . . 0 C--O 1.244 0.812 0 CA-C-O 118.605 -0.712 . . . . 0.0 110.644 179.868 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' J' J ' 1' ' ' PHE . . . . . . . . . . . . . 49.1 t80 . . . . . 0 N--CA 1.481 1.102 0 CA-C-O 120.339 0.114 . . . . 0.0 110.764 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' J' J ' 2' ' ' VAL . . . . . 0.533 ' HB ' HD11 ' E' ' 10' ' ' ILE . 11.1 m 47.92 -159.56 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 124.655 1.182 . . . . 0.0 112.579 -179.61 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 3' ' ' ASN . . . . . 0.429 ' CG ' ' H ' ' J' ' 4' ' ' GLN . 34.0 t30 -150.35 -167.98 2.97 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 122.155 -0.341 . . . . 0.0 111.084 -178.124 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 4' ' ' GLN . . . . . 0.429 ' H ' ' CG ' ' J' ' 3' ' ' ASN . 29.6 tt0 -48.34 -36.65 14.84 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 124.061 0.944 . . . . 0.0 112.231 179.759 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 5' ' ' HIS . . . . . 0.462 ' CD2' HG21 ' E' ' 10' ' ' ILE . 56.0 t60 -58.65 -17.89 26.11 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -178.546 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 6' ' ' LEU . . . . . 0.526 HD12 HG11 ' J' ' 2' ' ' VAL . 24.4 mt -120.37 -19.9 7.44 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.297 0.57 . . . . 0.0 110.729 179.26 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 7' ' ' CYS . . . . . 0.45 ' O ' ' HG ' ' J' ' 11' ' ' LEU . 40.0 t -76.02 -45.09 36.25 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.578 179.77 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 8' ' ' GLY . . . . . 0.589 ' O ' HG22 ' J' ' 12' ' ' VAL . . . -60.42 -27.58 65.93 Favored Glycine 0 N--CA 1.449 -0.478 0 CA-C-N 115.927 -0.579 . . . . 0.0 112.728 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 9' ' ' SER . . . . . 0.428 ' O ' ' HG2' ' L' ' 13' ' ' GLU . 7.0 m -57.43 -27.35 62.33 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 122.961 0.504 . . . . 0.0 111.291 -179.717 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 10' ' ' HIS . . . . . 0.634 ' HA ' ' HG3' ' J' ' 13' ' ' GLU . 94.6 m-70 -104.68 -12.31 16.44 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.414 -178.553 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 11' ' ' LEU . . . . . 0.773 HD11 ' HB2' ' I' ' 7' ' ' CYS . 46.8 mt -73.73 -38.77 64.67 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 177.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 12' ' ' VAL . . . . . 0.589 HG22 ' O ' ' J' ' 8' ' ' GLY . 0.7 OUTLIER -67.12 -30.48 49.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.056 -0.975 . . . . 0.0 112.011 179.794 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' J' J ' 13' ' ' GLU . . . . . 0.634 ' HG3' ' HA ' ' J' ' 10' ' ' HIS . 25.4 mt-10 -57.33 -55.04 39.86 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.32 -32.68 71.95 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.083 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 15' ' ' LEU . . . . . 0.554 ' HB2' ' HA ' ' J' ' 12' ' ' VAL . 2.5 mt -52.76 -62.86 1.37 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.949 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 16' ' ' TYR . . . . . 0.732 ' HB3' ' CE1' ' J' ' 24' ' ' PHE . 3.2 p90 -76.23 -16.45 59.82 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.153 -0.619 . . . . 0.0 111.009 -179.211 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 17' ' ' LEU . . . . . 0.487 ' HB2' ' O ' ' J' ' 13' ' ' GLU . 7.9 tt -68.81 -40.06 79.72 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 178.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 55.6 t -67.86 -43.62 85.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.549 178.24 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 19' ' ' CYS . . . . . 0.978 ' HB3' ' HB3' ' J' ' 22' ' ' ARG . 73.6 m -67.58 -38.62 84.32 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.304 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.09 -108.53 2.7 Favored Glycine 0 N--CA 1.451 -0.352 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 -179.48 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 21' ' ' GLU . . . . . 0.491 ' O ' ' HD2' ' L' ' 29' ' ' LYS . 53.8 mt-10 -95.94 52.24 1.3 Allowed 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 178.05 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 22' ' ' ARG . . . . . 0.978 ' HB3' ' HB3' ' J' ' 19' ' ' CYS . 73.7 ttt180 -141.13 132.92 27.39 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.975 -1.012 . . . . 0.0 109.103 -178.375 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 23' ' ' GLY . . . . . 0.715 ' HA3' HG22 ' L' ' 27' ' ' THR . . . -84.56 171.01 46.99 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.82 -0.705 . . . . 0.0 113.325 -178.632 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 24' ' ' PHE . . . . . 0.732 ' CE1' ' HB3' ' J' ' 16' ' ' TYR . 11.9 p90 -155.17 169.9 23.08 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-O 121.067 0.461 . . . . 0.0 110.502 179.622 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 25' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -116.12 132.68 56.59 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.381 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 26' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -129.87 119.27 23.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.215 0.531 . . . . 0.0 111.11 -179.413 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 27' ' ' THR . . . . . 0.678 HG22 ' HA3' ' L' ' 23' ' ' GLY . 7.8 p -123.33 101.35 37.85 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.548 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 28' ' ' PRO . . . . . 0.581 ' HD2' ' HA2' ' L' ' 23' ' ' GLY . 88.1 Cg_endo -78.85 51.51 3.86 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.804 2.336 . . . . 0.0 111.737 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 29' ' ' LYS . . . . . 0.436 ' HD2' ' O ' ' L' ' 21' ' ' GLU . 63.8 tttm -153.88 90.51 1.38 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.658 -179.472 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 30' ' ' THR . . . . . . . . . . . . . 7.3 m . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.428 -0.796 . . . . 0.0 109.882 -178.534 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.249 0 N-CA-C 112.178 -0.369 . . . . 0.0 112.178 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' K' K ' 2' ' ' ILE . . . . . . . . . . . . . 8.3 tt -179.45 -40.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 121.332 0.586 . . . . 0.0 110.373 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 3' ' ' VAL . . . . . 0.409 ' O ' ' HB3' ' K' ' 7' ' ' CYS . 92.3 t -59.85 -34.05 54.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.469 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' K' K ' 4' ' ' GLU . . . . . 0.502 ' CD ' ' H ' ' K' ' 4' ' ' GLU . 2.0 mp0 -57.95 -23.1 52.19 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.983 0.734 . . . . 0.0 112.983 -179.028 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' K' K ' 5' ' ' GLN . . . . . 0.467 ' HG3' ' SG ' ' K' ' 11' ' ' CYS . 14.5 pt20 -124.24 -38.91 2.39 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.762 0.652 . . . . 0.0 112.762 -179.018 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' K' K ' 6' ' ' CYS . . . . . . . . . . . . . 73.0 m -78.69 -24.15 45.22 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -178.314 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 7' ' ' CYS . . . . . 0.775 ' HB2' HD11 ' L' ' 11' ' ' LEU . 41.8 t -99.04 -6.67 28.08 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.957 0.408 . . . . 0.0 111.218 -179.636 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' K' K ' 8' ' ' THR . . . . . . . . . . . . . 2.7 p -90.69 -61.56 1.65 Allowed 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.741 -0.384 . . . . 0.0 111.015 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 9' ' ' SER . . . . . 0.528 ' O ' ' HB ' ' K' ' 10' ' ' ILE . 11.1 p -129.65 14.33 5.94 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -179.298 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' K' K ' 10' ' ' ILE . . . . . 0.532 HD11 ' HB ' ' H' ' 2' ' ' VAL . 2.2 mp 74.82 137.06 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 CA-C-O 121.376 0.608 . . . . 0.0 111.314 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' K' K ' 11' ' ' CYS . . . . . 0.467 ' SG ' ' HG3' ' K' ' 5' ' ' GLN . 91.1 m -92.76 159.07 15.58 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.539 179.206 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' K' K ' 12' ' ' SER . . . . . . . . . . . . . 22.5 t -76.3 165.75 24.42 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 179.376 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 13' ' ' LEU . . . . . . . . . . . . . 10.1 tt -56.3 -60.86 2.91 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.541 -179.156 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -64.72 -20.53 66.39 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.184 0.516 . . . . 0.0 111.016 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -74.09 -32.72 63.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.346 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 16' ' ' LEU . . . . . . . . . . . . . 84.5 mt -70.68 -30.41 66.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.298 178.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 17' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -63.33 -16.57 60.81 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.457 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 18' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 -68.36 -19.2 64.62 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 120.938 0.399 . . . . 0.0 110.33 178.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 19' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -104.36 -0.43 28.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.228 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 20' ' ' CYS . . . . . 0.417 ' HA ' ' CB ' ' L' ' 24' ' ' PHE . 3.6 t -90.09 -175.53 4.58 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.61 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' K' K ' 21' ' ' ASN . . . . . . . . . . . . . 53.4 m-20 . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.634 -0.698 . . . . 0.0 110.668 179.944 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' L' L ' 1' ' ' PHE . . . . . . . . . . . . . 48.9 t80 . . . . . 0 N--CA 1.483 1.182 0 CA-C-O 120.469 0.176 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' L' L ' 2' ' ' VAL . . . . . 0.538 ' HB ' HD11 ' C' ' 10' ' ' ILE . 11.6 m 47.0 -159.56 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 124.545 1.138 . . . . 0.0 112.72 -179.465 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' L' L ' 3' ' ' ASN . . . . . 0.429 ' CG ' ' H ' ' L' ' 4' ' ' GLN . 29.3 t30 -149.99 -167.77 2.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.867 0.365 . . . . 0.0 111.197 -178.146 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' L' L ' 4' ' ' GLN . . . . . 0.429 ' H ' ' CG ' ' L' ' 3' ' ' ASN . 29.7 tt0 -48.18 -37.83 16.71 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 123.936 0.895 . . . . 0.0 112.238 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' L' L ' 5' ' ' HIS . . . . . 0.454 ' CD2' HG21 ' C' ' 10' ' ' ILE . 54.7 t60 -57.16 -18.69 16.47 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 113.045 0.758 . . . . 0.0 113.045 -178.634 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' L' L ' 6' ' ' LEU . . . . . 0.523 HD12 HG11 ' L' ' 2' ' ' VAL . 24.1 mt -119.87 -20.47 7.54 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.197 0.523 . . . . 0.0 110.826 179.273 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' L' L ' 7' ' ' CYS . . . . . 0.471 ' O ' ' HG ' ' L' ' 11' ' ' LEU . 37.8 t -75.99 -44.04 41.59 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.548 179.745 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' L' L ' 8' ' ' GLY . . . . . 0.582 ' O ' HG22 ' L' ' 12' ' ' VAL . . . -61.61 -26.54 66.8 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 121.171 -0.538 . . . . 0.0 112.838 179.739 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' L' L ' 9' ' ' SER . . . . . 0.433 ' O ' ' HG2' ' J' ' 13' ' ' GLU . 6.6 m -58.23 -27.53 64.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.212 0.53 . . . . 0.0 111.304 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' L' L ' 10' ' ' HIS . . . . . 0.628 ' HA ' ' HG3' ' L' ' 13' ' ' GLU . 94.8 m-70 -104.17 -12.43 16.7 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.347 -178.566 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' L' L ' 11' ' ' LEU . . . . . 0.775 HD11 ' HB2' ' K' ' 7' ' ' CYS . 47.5 mt -73.69 -38.15 64.98 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 178.045 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' L' L ' 12' ' ' VAL . . . . . 0.582 HG22 ' O ' ' L' ' 8' ' ' GLY . 0.7 OUTLIER -68.16 -30.05 46.61 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-N 115.002 -0.999 . . . . 0.0 111.967 179.846 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' L' L ' 13' ' ' GLU . . . . . 0.628 ' HG3' ' HA ' ' L' ' 10' ' ' HIS . 25.9 mt-10 -57.33 -55.07 39.53 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 179.721 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' L' L ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.05 -32.54 72.1 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.057 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 15' ' ' LEU . . . . . 0.558 ' HB2' ' HA ' ' L' ' 12' ' ' VAL . 2.4 mt -53.18 -62.54 1.58 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.105 -0.498 . . . . 0.0 112.077 -179.714 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' L' L ' 16' ' ' TYR . . . . . 0.742 ' HB3' ' CE1' ' L' ' 24' ' ' PHE . 3.3 p90 -76.57 -16.33 59.63 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 119.967 -0.693 . . . . 0.0 110.989 -179.207 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' L' L ' 17' ' ' LEU . . . . . 0.498 ' HB2' ' O ' ' L' ' 13' ' ' GLU . 8.1 tt -68.73 -40.11 80.06 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 178.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 50.0 t -67.97 -43.19 85.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.632 178.315 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 19' ' ' CYS . . . . . 0.991 ' HB3' ' HB3' ' L' ' 22' ' ' ARG . 73.3 m -68.36 -36.53 79.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.489 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' L' L ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.53 -109.58 2.82 Favored Glycine 0 N--CA 1.452 -0.297 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -179.189 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 21' ' ' GLU . . . . . 0.436 ' O ' ' HD2' ' J' ' 29' ' ' LYS . 56.0 mt-10 -95.55 54.49 1.58 Allowed 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 178.153 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' L' L ' 22' ' ' ARG . . . . . 0.991 ' HB3' ' HB3' ' L' ' 19' ' ' CYS . 74.6 ttt180 -143.13 131.31 21.93 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.877 -1.056 . . . . 0.0 108.963 -178.492 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' L' L ' 23' ' ' GLY . . . . . 0.678 ' HA3' HG22 ' J' ' 27' ' ' THR . . . -83.4 170.24 48.48 Favored Glycine 0 CA--C 1.511 -0.187 0 C-N-CA 120.64 -0.79 . . . . 0.0 113.168 -178.689 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' L' L ' 24' ' ' PHE . . . . . 0.742 ' CE1' ' HB3' ' L' ' 16' ' ' TYR . 11.1 p90 -154.51 169.95 22.59 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-O 121.013 0.435 . . . . 0.0 110.463 179.639 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' L' L ' 25' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -116.14 132.67 56.59 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.267 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 26' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -129.85 118.59 21.98 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.069 0.462 . . . . 0.0 111.182 -179.571 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 27' ' ' THR . . . . . 0.715 HG22 ' HA3' ' J' ' 23' ' ' GLY . 6.2 p -122.85 101.76 38.92 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.313 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' L' L ' 28' ' ' PRO . . . . . 0.602 ' HD2' ' HA2' ' J' ' 23' ' ' GLY . 89.4 Cg_endo -78.68 51.36 3.76 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 122.796 2.331 . . . . 0.0 111.73 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' L' L ' 29' ' ' LYS . . . . . 0.491 ' HD2' ' O ' ' J' ' 21' ' ' GLU . 62.6 tttm . . . . . 0 C--N 1.321 -0.648 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.694 -179.405 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.681 0 N-CA-C 111.709 -0.556 . . . . 0.0 111.709 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.465 HD11 HD11 ' B' ' 15' ' ' LEU . 3.5 tt -60.57 -50.51 80.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.861 0.362 . . . . 0.0 111.726 -179.375 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.59 HG21 ' HA ' ' B' ' 28' ' ' PRO . 18.6 t -69.4 -19.5 23.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.405 0.621 . . . . 0.0 110.443 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -80.88 -60.3 2.35 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.97 179.415 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -58.87 -52.77 64.32 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.61 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 83.3 m -69.2 -2.04 9.45 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 113.65 0.982 . . . . 0.0 113.65 -178.002 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 25.1 t -117.64 -28.55 5.99 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.257 -0.577 . . . . 0.0 110.965 179.55 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.495 ' O ' HG21 ' F' ' 2' ' ' VAL . 26.8 p -82.94 -23.34 33.52 Favored 'General case' 0 C--N 1.328 -0.33 0 O-C-N 122.281 -0.262 . . . . 0.0 111.082 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.94 ' HA ' HG11 ' F' ' 2' ' ' VAL . 18.5 m -146.72 -5.62 0.54 Allowed 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.977 -0.289 . . . . 0.0 111.586 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.763 HD13 ' HB ' ' F' ' 2' ' ' VAL . 1.9 mp 67.36 135.23 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 CA-C-O 121.599 0.714 . . . . 0.0 111.313 179.483 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 57.6 m -97.37 154.09 17.67 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.397 -178.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.9 m -88.77 178.73 6.38 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.507 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.513 HD12 HG13 ' B' ' 18' ' ' VAL . 59.9 tp -51.17 -60.07 3.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.382 -179.164 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -64.75 -33.99 77.28 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -178.675 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -60.9 -45.36 94.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.134 179.533 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.512 HD12 HG21 ' B' ' 18' ' ' VAL . 88.2 mt -66.14 -37.48 85.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.743 -179.513 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.569 ' HA ' ' SG ' ' A' ' 20' ' ' CYS . 37.2 tt0 -59.35 -21.4 59.76 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 120.932 0.396 . . . . 0.0 111.679 -179.099 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 31.2 m120 -70.25 -12.39 61.56 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.2 179.271 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.417 ' CE2' ' HB ' ' A' ' 2' ' ' ILE . 83.2 m-85 -107.07 6.44 28.94 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -178.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.569 ' SG ' ' HA ' ' A' ' 17' ' ' GLU . 63.8 m -71.29 140.81 50.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.007 0.432 . . . . 0.0 110.045 179.258 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 . . . . . 0 C--O 1.251 1.132 0 CA-C-O 118.429 -0.796 . . . . 0.0 110.097 -179.745 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.482 1.16 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 2' ' ' VAL . . . . . 0.91 HG11 ' HA ' ' I' ' 9' ' ' SER . 20.7 m -91.69 88.88 2.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 121.852 0.834 . . . . 0.0 110.537 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -171.32 -43.09 0.02 OUTLIER 'General case' 0 C--O 1.219 -0.548 0 CA-C-N 115.029 -0.987 . . . . 0.0 108.559 -179.401 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 4' ' ' GLN . . . . . 0.492 ' HA ' ' HB3' ' B' ' 7' ' ' CYS . 52.6 tt0 -55.61 -36.1 66.58 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.653 179.072 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -64.91 -20.85 66.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.505 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 33.9 mt -105.75 -23.77 12.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.655 0.741 . . . . 0.0 110.106 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' CYS . . . . . 0.544 ' SG ' HD21 ' B' ' 11' ' ' LEU . 0.0 OUTLIER -79.5 -44.93 20.3 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 114.805 -1.089 . . . . 0.0 111.102 -178.891 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 8' ' ' GLY . . . . . 0.607 ' HA2' ' HG ' ' B' ' 11' ' ' LEU . . . -58.1 -28.28 61.02 Favored Glycine 0 N--CA 1.452 -0.265 0 CA-C-N 115.988 -0.551 . . . . 0.0 114.125 -179.318 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 9' ' ' SER . . . . . 0.523 ' HB2' ' HG2' ' D' ' 13' ' ' GLU . 13.9 p -67.42 -12.88 61.34 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 117.005 0.402 . . . . 0.0 111.426 -179.559 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -109.77 -18.14 13.51 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.829 -0.348 . . . . 0.0 111.413 -179.278 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.607 ' HG ' ' HA2' ' B' ' 8' ' ' GLY . 3.0 mt -72.55 -32.91 66.44 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 178.101 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.507 ' HA ' HD12 ' B' ' 15' ' ' LEU . 2.6 m -65.41 -37.22 79.54 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.098 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.567 179.277 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.586 ' HA ' ' CE2' ' B' ' 16' ' ' TYR . 21.6 mt-10 -61.92 -41.12 97.56 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 179.612 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.07 -33.36 65.6 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.639 178.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.507 HD12 ' HA ' ' B' ' 12' ' ' VAL . 16.3 mt -57.79 -57.7 11.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.212 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 16' ' ' TYR . . . . . 0.701 ' HB2' ' HG3' ' D' ' 28' ' ' PRO . 3.8 p90 -63.47 -26.03 68.54 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.673 -179.155 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.478 HD23 HD23 ' H' ' 17' ' ' LEU . 49.0 tp -72.91 -45.67 56.85 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.175 179.474 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.513 HG13 HD12 ' A' ' 13' ' ' LEU . 42.4 t -65.07 -42.89 95.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.013 179.111 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 19' ' ' CYS . . . . . 0.763 ' HB3' ' HB2' ' B' ' 22' ' ' ARG . 79.8 m -67.62 -20.71 65.38 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.282 179.083 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.66 63.93 3.61 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.347 179.265 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 72.65 -2.56 2.62 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 123.454 0.702 . . . . 0.0 111.751 -179.254 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' ARG . . . . . 0.763 ' HB2' ' HB3' ' B' ' 19' ' ' CYS . 75.9 mtm180 -79.32 147.46 32.44 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 177.239 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 23' ' ' GLY . . . . . 0.784 ' HA2' ' HD2' ' D' ' 28' ' ' PRO . . . -75.13 -178.84 42.68 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.338 -0.934 . . . . 0.0 112.742 -179.402 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 24' ' ' PHE . . . . . 0.551 ' HE2' ' HB3' ' B' ' 16' ' ' TYR . 23.3 p90 -167.35 166.48 14.54 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 179.688 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 11.1 p90 -107.92 126.8 53.12 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 178.713 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.553 ' CE1' HG22 ' A' ' 3' ' ' VAL . 83.6 t80 -119.63 110.07 16.42 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.937 0.399 . . . . 0.0 110.819 -179.21 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 27' ' ' THR . . . . . 0.654 HG22 ' HA3' ' D' ' 23' ' ' GLY . 5.3 p -118.63 96.17 49.69 Favored Pre-proline 0 C--N 1.316 -0.851 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.677 179.309 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 28' ' ' PRO . . . . . 0.78 ' HD2' ' HA2' ' D' ' 23' ' ' GLY . 42.2 Cg_endo -68.72 59.14 1.14 Allowed 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 123.215 2.61 . . . . 0.0 112.92 -179.023 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.557 ' HG2' ' H ' ' B' ' 30' ' ' THR . 66.8 tttt -158.73 -162.63 1.12 Allowed 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 30' ' ' THR . . . . . 0.557 ' H ' ' HG2' ' B' ' 29' ' ' LYS . 13.2 t . . . . . 0 C--O 1.252 1.187 0 CA-C-O 117.838 -1.077 . . . . 0.0 108.683 178.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.013 0 N-CA-C 112.04 -0.424 . . . . 0.0 112.04 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 2' ' ' ILE . . . . . 0.446 HD11 HD11 ' D' ' 15' ' ' LEU . 3.6 tt -60.4 -50.22 81.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 3' ' ' VAL . . . . . 0.601 HG21 ' HA ' ' D' ' 28' ' ' PRO . 19.9 t -69.36 -20.2 23.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.621 0.724 . . . . 0.0 110.704 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -80.51 -60.72 2.21 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.084 179.492 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -58.62 -52.88 63.78 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.706 -0.679 . . . . 0.0 112.434 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 78.8 m -68.62 -2.05 8.18 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.661 0.985 . . . . 0.0 113.661 -178.005 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 7' ' ' CYS . . . . . . . . . . . . . 26.4 t -117.71 -28.82 5.89 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.108 -0.637 . . . . 0.0 111.029 179.391 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 8' ' ' THR . . . . . 0.478 ' O ' HG21 ' L' ' 2' ' ' VAL . 28.6 p -82.49 -22.52 35.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.74 0.305 . . . . 0.0 111.314 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 9' ' ' SER . . . . . 0.951 ' HA ' HG11 ' L' ' 2' ' ' VAL . 30.6 m -147.9 -6.09 0.45 Allowed 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.608 -179.776 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 10' ' ' ILE . . . . . 0.792 HD13 ' HB ' ' L' ' 2' ' ' VAL . 1.9 mp 67.92 135.03 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 CA-C-O 121.554 0.692 . . . . 0.0 111.367 179.071 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 56.8 m -96.79 154.53 17.23 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.383 -178.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 40.9 m -89.14 179.29 6.17 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.477 179.439 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 13' ' ' LEU . . . . . 0.503 HD12 HG13 ' D' ' 18' ' ' VAL . 59.9 tp -51.72 -59.38 4.36 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 112.513 0.561 . . . . 0.0 112.513 -179.158 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -65.58 -32.7 74.42 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 111.887 0.328 . . . . 0.0 111.887 -178.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -62.11 -44.91 95.62 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.777 0.323 . . . . 0.0 111.166 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 16' ' ' LEU . . . . . 0.481 HD12 HG21 ' D' ' 18' ' ' VAL . 88.9 mt -66.75 -36.5 82.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.857 -179.309 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 17' ' ' GLU . . . . . 0.549 ' HA ' ' SG ' ' C' ' 20' ' ' CYS . 36.0 tt0 -59.98 -21.51 61.35 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.547 -179.256 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 32.2 m120 -70.68 -11.47 60.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.156 179.331 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -107.91 7.22 27.92 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -179.119 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 20' ' ' CYS . . . . . 0.549 ' SG ' ' HA ' ' C' ' 17' ' ' GLU . 64.9 m -71.79 142.59 49.69 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.805 -0.442 . . . . 0.0 109.805 179.074 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.311 -0.852 . . . . 0.0 110.011 -179.868 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.479 0.989 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 2' ' ' VAL . . . . . 0.916 HG11 ' HA ' ' G' ' 9' ' ' SER . 22.8 m -91.94 88.24 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.89 0.852 . . . . 0.0 110.759 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 3' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -170.86 -43.45 0.02 OUTLIER 'General case' 0 C--O 1.219 -0.523 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 4' ' ' GLN . . . . . 0.495 ' HA ' ' HB3' ' D' ' 7' ' ' CYS . 51.3 tt0 -55.12 -35.77 65.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.722 179.014 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 5' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -65.33 -19.96 66.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.448 179.225 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 35.9 mt -106.35 -24.47 12.25 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.637 0.732 . . . . 0.0 109.919 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 7' ' ' CYS . . . . . 0.545 ' SG ' HD21 ' D' ' 11' ' ' LEU . 0.0 OUTLIER -78.63 -44.24 24.36 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 114.86 -1.063 . . . . 0.0 111.297 -179.042 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 8' ' ' GLY . . . . . 0.582 ' HA2' ' HG ' ' D' ' 11' ' ' LEU . . . -58.68 -28.54 62.94 Favored Glycine 0 N--CA 1.451 -0.305 0 CA-C-N 115.911 -0.586 . . . . 0.0 114.076 -179.264 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 9' ' ' SER . . . . . 0.531 ' HB3' ' OH ' ' B' ' 16' ' ' TYR . 13.0 p -67.32 -12.58 60.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.003 0.43 . . . . 0.0 111.625 -179.59 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 10' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -109.82 -18.72 13.36 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.784 -0.366 . . . . 0.0 111.389 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 11' ' ' LEU . . . . . 0.582 ' HG ' ' HA2' ' D' ' 8' ' ' GLY . 3.1 mt -72.26 -32.68 66.88 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.315 -0.995 . . . . 0.0 108.315 178.089 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 12' ' ' VAL . . . . . 0.524 ' HA ' HD12 ' D' ' 15' ' ' LEU . 2.4 m -65.66 -37.26 79.56 Favored 'Isoleucine or valine' 0 C--O 1.231 0.091 0 CA-C-N 115.351 -0.841 . . . . 0.0 111.574 179.289 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 13' ' ' GLU . . . . . 0.596 ' HA ' ' CE2' ' D' ' 16' ' ' TYR . 21.5 mt-10 -61.85 -40.86 96.79 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 121.506 0.669 . . . . 0.0 109.239 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.13 -33.28 65.43 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.364 -0.834 . . . . 0.0 110.707 178.767 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 15' ' ' LEU . . . . . 0.524 HD12 ' HA ' ' D' ' 12' ' ' VAL . 16.6 mt -58.18 -57.81 11.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.015 -0.538 . . . . 0.0 112.208 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 16' ' ' TYR . . . . . 0.675 ' HB2' ' HG3' ' B' ' 28' ' ' PRO . 4.2 p90 -63.45 -25.12 68.12 Favored 'General case' 0 C--O 1.235 0.294 0 C-N-CA 120.325 -0.55 . . . . 0.0 110.708 -178.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 17' ' ' LEU . . . . . 0.495 HD23 HD23 ' J' ' 17' ' ' LEU . 49.2 tp -73.45 -46.36 48.82 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.033 179.557 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 18' ' ' VAL . . . . . 0.503 HG13 HD12 ' C' ' 13' ' ' LEU . 43.0 t -64.44 -43.66 96.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.062 179.039 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 19' ' ' CYS . . . . . 0.775 ' HB3' ' HB2' ' D' ' 22' ' ' ARG . 79.0 m -66.82 -20.53 65.95 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.393 178.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.26 63.62 3.85 Favored Glycine 0 C--N 1.331 0.297 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.364 179.318 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 73.29 -3.74 2.38 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 123.475 0.71 . . . . 0.0 111.806 -179.191 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 22' ' ' ARG . . . . . 0.775 ' HB2' ' HB3' ' D' ' 19' ' ' CYS . 77.1 mtm180 -78.0 147.84 34.66 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 177.041 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 23' ' ' GLY . . . . . 0.78 ' HA2' ' HD2' ' B' ' 28' ' ' PRO . . . -75.73 -179.02 44.6 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.436 -0.888 . . . . 0.0 112.614 -179.183 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 24' ' ' PHE . . . . . 0.541 ' HE2' ' HB3' ' D' ' 16' ' ' TYR . 24.8 p90 -167.15 166.46 14.98 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 179.606 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 25' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -107.82 126.73 53.0 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 178.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 26' ' ' TYR . . . . . 0.557 ' CE1' HG22 ' C' ' 3' ' ' VAL . 83.3 t80 -119.54 110.36 16.8 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.113 0.482 . . . . 0.0 110.793 -179.274 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 27' ' ' THR . . . . . 0.664 HG22 ' HA3' ' B' ' 23' ' ' GLY . 5.7 p -118.92 96.4 50.1 Favored Pre-proline 0 C--N 1.316 -0.854 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.521 179.312 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 28' ' ' PRO . . . . . 0.784 ' HD2' ' HA2' ' B' ' 23' ' ' GLY . 41.1 Cg_endo -68.66 58.34 1.08 Allowed 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 123.188 2.592 . . . . 0.0 112.871 -178.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 29' ' ' LYS . . . . . 0.558 ' HG2' ' H ' ' D' ' 30' ' ' THR . 68.2 tttt -159.4 -165.64 1.61 Allowed 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 107.71 -1.218 . . . . 0.0 107.71 -179.657 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 30' ' ' THR . . . . . 0.558 ' H ' ' HG2' ' D' ' 29' ' ' LYS . 14.6 t . . . . . 0 C--O 1.253 1.266 0 CA-C-O 118.043 -0.979 . . . . 0.0 108.706 178.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.632 0 N-CA-C 112.231 -0.348 . . . . 0.0 112.231 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' E' E ' 2' ' ' ILE . . . . . 0.471 HD11 HD11 ' F' ' 15' ' ' LEU . 3.3 tt -58.83 -49.69 82.05 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -179.049 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 3' ' ' VAL . . . . . 0.594 HG21 ' HA ' ' F' ' 28' ' ' PRO . 19.8 t -70.05 -19.93 22.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.201 0.524 . . . . 0.0 110.524 -179.524 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 4' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -81.49 -59.5 2.6 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.094 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -59.19 -53.15 61.56 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.808 -0.633 . . . . 0.0 112.319 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 6' ' ' CYS . . . . . 0.408 ' O ' ' HA ' ' E' ' 10' ' ' ILE . 81.0 m -68.39 -3.3 10.72 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 113.501 0.926 . . . . 0.0 113.501 -177.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 7' ' ' CYS . . . . . . . . . . . . . 25.4 t -116.63 -27.78 6.59 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.204 -0.598 . . . . 0.0 111.124 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 8' ' ' THR . . . . . 0.498 ' O ' HG21 ' J' ' 2' ' ' VAL . 30.7 p -83.62 -22.91 32.07 Favored 'General case' 0 C--N 1.331 -0.228 0 O-C-N 122.183 -0.323 . . . . 0.0 111.186 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 9' ' ' SER . . . . . 0.962 ' HA ' HG11 ' J' ' 2' ' ' VAL . 19.7 m -147.09 -6.05 0.5 Allowed 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 111.772 0.286 . . . . 0.0 111.772 -179.653 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 10' ' ' ILE . . . . . 0.79 HD13 ' HB ' ' J' ' 2' ' ' VAL . 1.9 mp 67.86 135.97 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.468 0 O-C-N 123.628 0.58 . . . . 0.0 111.291 179.237 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 11' ' ' CYS . . . . . . . . . . . . . 56.7 m -98.32 153.71 18.34 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.018 0.437 . . . . 0.0 111.442 -178.729 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 12' ' ' SER . . . . . . . . . . . . . 25.5 m -88.22 179.28 6.4 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.546 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 13' ' ' LEU . . . . . 0.528 HD12 HG13 ' F' ' 18' ' ' VAL . 59.8 tp -51.64 -59.56 4.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.87 -0.605 . . . . 0.0 112.469 -179.314 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -65.82 -31.96 73.21 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -178.709 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -62.89 -44.5 95.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.76 0.314 . . . . 0.0 110.932 179.469 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 16' ' ' LEU . . . . . 0.481 HD12 HG21 ' F' ' 18' ' ' VAL . 89.9 mt -66.81 -36.95 83.56 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.888 -179.596 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 17' ' ' GLU . . . . . 0.544 ' HA ' ' SG ' ' E' ' 20' ' ' CYS . 38.0 tt0 -59.53 -22.01 61.06 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 120.888 0.375 . . . . 0.0 111.561 -179.008 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 18' ' ' ASN . . . . . . . . . . . . . 32.0 m120 -69.45 -13.52 62.4 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.643 0.259 . . . . 0.0 111.12 179.418 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 19' ' ' TYR . . . . . 0.424 ' CE2' ' HB ' ' E' ' 2' ' ' ILE . 82.1 m-85 -105.67 5.68 31.32 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -178.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 20' ' ' CYS . . . . . 0.544 ' SG ' ' HA ' ' E' ' 17' ' ' GLU . 64.1 m -70.34 142.11 52.2 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 178.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 21' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.494 -0.765 . . . . 0.0 110.15 -179.747 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' F' F ' 1' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.48 1.052 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 2' ' ' VAL . . . . . 0.94 HG11 ' HA ' ' A' ' 9' ' ' SER . 22.7 m -90.38 86.99 2.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.917 0.865 . . . . 0.0 110.86 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 3' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 -169.55 -43.44 0.02 OUTLIER 'General case' 0 C--O 1.218 -0.586 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -179.656 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 4' ' ' GLN . . . . . 0.488 ' HA ' ' HB3' ' F' ' 7' ' ' CYS . 51.6 tt0 -55.41 -35.57 65.5 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.908 179.222 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 5' ' ' HIS . . . . . . . . . . . . . 75.5 t60 -65.27 -20.36 66.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.419 179.19 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 6' ' ' LEU . . . . . . . . . . . . . 35.5 mt -105.91 -24.89 12.34 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.634 0.73 . . . . 0.0 109.993 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 7' ' ' CYS . . . . . 0.545 ' SG ' HD21 ' F' ' 11' ' ' LEU . 0.0 OUTLIER -78.37 -44.66 24.46 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 114.742 -1.117 . . . . 0.0 111.276 -178.935 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' F' F ' 8' ' ' GLY . . . . . 0.583 ' HA2' ' HG ' ' F' ' 11' ' ' LEU . . . -58.25 -28.23 61.35 Favored Glycine 0 N--CA 1.45 -0.409 0 CA-C-N 115.967 -0.561 . . . . 0.0 114.069 -179.313 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 9' ' ' SER . . . . . 0.528 ' HB3' ' OH ' ' H' ' 16' ' ' TYR . 14.2 p -67.72 -12.39 60.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.022 0.439 . . . . 0.0 111.552 -179.471 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 10' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -109.75 -18.79 13.36 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.285 -179.284 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 11' ' ' LEU . . . . . 0.583 ' HG ' ' HA2' ' F' ' 8' ' ' GLY . 3.0 mt -72.42 -32.58 66.46 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 178.286 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 12' ' ' VAL . . . . . 0.522 ' HA ' HD12 ' F' ' 15' ' ' LEU . 2.6 m -65.54 -37.26 79.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.499 179.154 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 13' ' ' GLU . . . . . 0.588 ' HA ' ' CE2' ' F' ' 16' ' ' TYR . 21.3 mt-10 -61.94 -40.73 96.54 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 121.506 0.669 . . . . 0.0 109.388 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.53 -33.07 64.55 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.492 178.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 15' ' ' LEU . . . . . 0.522 HD12 ' HA ' ' F' ' 12' ' ' VAL . 16.0 mt -58.38 -57.47 12.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.072 -0.513 . . . . 0.0 112.154 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 16' ' ' TYR . . . . . 0.702 ' HB2' ' HG3' ' H' ' 28' ' ' PRO . 3.9 p90 -63.91 -24.97 67.94 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 120.437 -0.505 . . . . 0.0 110.761 -178.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 17' ' ' LEU . . . . . 0.475 HD23 HD23 ' L' ' 17' ' ' LEU . 50.8 tp -73.76 -46.16 47.47 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.874 179.561 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 18' ' ' VAL . . . . . 0.528 HG13 HD12 ' E' ' 13' ' ' LEU . 43.3 t -64.24 -44.34 97.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.903 179.041 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 19' ' ' CYS . . . . . 0.768 ' HB3' ' HB2' ' F' ' 22' ' ' ARG . 84.1 m -66.27 -20.53 66.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.393 179.046 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 20' ' ' GLY . . . . . 0.403 ' O ' ' HB2' ' F' ' 21' ' ' GLU . . . 66.58 62.14 4.8 Favored Glycine 0 C--N 1.33 0.205 0 C-N-CA 121.014 -0.612 . . . . 0.0 112.563 179.108 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 21' ' ' GLU . . . . . 0.403 ' HB2' ' O ' ' F' ' 20' ' ' GLY . 68.9 mt-10 75.17 -4.39 2.39 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.68 0.792 . . . . 0.0 111.583 -179.419 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 22' ' ' ARG . . . . . 0.768 ' HB2' ' HB3' ' F' ' 19' ' ' CYS . 76.5 mtm180 -77.41 147.97 35.74 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 177.233 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 23' ' ' GLY . . . . . 0.772 ' HA2' ' HD2' ' H' ' 28' ' ' PRO . . . -76.46 179.93 48.01 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.424 -0.893 . . . . 0.0 112.517 -179.132 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 24' ' ' PHE . . . . . 0.558 ' HE2' ' HB3' ' F' ' 16' ' ' TYR . 24.6 p90 -165.91 167.58 16.59 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 179.48 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 25' ' ' PHE . . . . . . . . . . . . . 11.1 p90 -108.92 126.62 53.27 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 178.759 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 26' ' ' TYR . . . . . 0.548 ' CE1' HG22 ' E' ' 3' ' ' VAL . 83.7 t80 -119.36 110.5 17.03 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.889 0.376 . . . . 0.0 110.816 -179.094 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 27' ' ' THR . . . . . 0.674 HG22 ' HA3' ' H' ' 23' ' ' GLY . 6.2 p -119.09 96.27 49.98 Favored Pre-proline 0 C--N 1.316 -0.883 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 179.165 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 28' ' ' PRO . . . . . 0.76 ' HD2' ' HA2' ' H' ' 23' ' ' GLY . 42.0 Cg_endo -68.48 58.46 1.03 Allowed 'Trans proline' 0 C--N 1.352 0.743 0 C-N-CA 123.346 2.698 . . . . 0.0 112.783 -178.857 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 29' ' ' LYS . . . . . 0.557 ' HG2' ' H ' ' F' ' 30' ' ' THR . 66.5 tttt -158.62 -163.66 1.3 Allowed 'General case' 0 N--CA 1.444 -0.756 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 -179.743 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 30' ' ' THR . . . . . 0.557 ' H ' ' HG2' ' F' ' 29' ' ' LYS . 13.3 t . . . . . 0 C--O 1.25 1.129 0 CA-C-O 118.141 -0.933 . . . . 0.0 109.185 179.147 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.232 0 N-CA-C 111.735 -0.546 . . . . 0.0 111.735 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' G' G ' 2' ' ' ILE . . . . . 0.45 HD11 HD11 ' H' ' 15' ' ' LEU . 3.7 tt -58.96 -50.6 79.07 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 3' ' ' VAL . . . . . 0.59 HG21 ' HA ' ' H' ' 28' ' ' PRO . 18.7 t -69.43 -20.21 23.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.463 0.649 . . . . 0.0 110.835 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 4' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -80.3 -61.08 2.09 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.008 179.261 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 5' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -57.87 -53.32 59.6 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.636 -0.711 . . . . 0.0 112.606 -179.595 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 6' ' ' CYS . . . . . . . . . . . . . 82.8 m -68.55 -2.72 9.49 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 -178.125 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 7' ' ' CYS . . . . . . . . . . . . . 24.8 t -116.88 -28.3 6.34 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.26 -0.576 . . . . 0.0 110.994 179.52 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 8' ' ' THR . . . . . 0.495 ' O ' HG21 ' D' ' 2' ' ' VAL . 31.2 p -82.82 -23.32 33.84 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.935 -0.306 . . . . 0.0 111.218 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 9' ' ' SER . . . . . 0.916 ' HA ' HG11 ' D' ' 2' ' ' VAL . 20.2 m -146.82 -7.03 0.5 Allowed 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.676 -179.626 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 10' ' ' ILE . . . . . 0.799 HD13 ' HB ' ' D' ' 2' ' ' VAL . 1.9 mp 68.44 133.94 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 CA-C-O 121.575 0.702 . . . . 0.0 111.443 179.277 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 11' ' ' CYS . . . . . . . . . . . . . 54.0 m -96.29 153.6 17.72 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.621 -178.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 12' ' ' SER . . . . . . . . . . . . . 19.9 m -89.0 178.09 6.49 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.447 179.496 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 13' ' ' LEU . . . . . 0.499 HD12 HG13 ' H' ' 18' ' ' VAL . 57.7 tp -50.2 -60.13 3.27 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 123.15 0.58 . . . . 0.0 112.542 -179.276 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -64.93 -32.29 73.93 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 -178.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -63.22 -44.53 95.03 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.77 0.319 . . . . 0.0 111.09 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 16' ' ' LEU . . . . . 0.485 HD12 HG21 ' H' ' 18' ' ' VAL . 89.1 mt -66.86 -35.95 81.21 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.882 -179.509 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 17' ' ' GLU . . . . . 0.555 ' HA ' ' SG ' ' G' ' 20' ' ' CYS . 37.1 tt0 -60.56 -21.19 62.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.966 0.412 . . . . 0.0 111.618 -179.136 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 18' ' ' ASN . . . . . . . . . . . . . 31.2 m120 -71.11 -11.94 61.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.746 0.308 . . . . 0.0 111.244 179.46 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 19' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -106.99 7.31 29.8 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 -179.188 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 20' ' ' CYS . . . . . 0.555 ' SG ' ' HA ' ' G' ' 17' ' ' GLU . 67.1 m -71.61 143.61 49.75 Favored 'General case' 0 C--O 1.236 0.384 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 178.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 21' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.494 -0.765 . . . . 0.0 110.339 -179.52 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' H' H ' 1' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.478 0.966 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 2' ' ' VAL . . . . . 0.957 HG11 ' HA ' ' K' ' 9' ' ' SER . 21.0 m -90.61 88.33 2.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.69 0.757 . . . . 0.0 110.593 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 3' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -170.44 -43.98 0.02 OUTLIER 'General case' 0 C--O 1.218 -0.554 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 -179.398 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 4' ' ' GLN . . . . . 0.494 ' HA ' ' HB3' ' H' ' 7' ' ' CYS . 51.7 tt0 -55.11 -35.91 65.15 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.676 178.785 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 5' ' ' HIS . . . . . . . . . . . . . 76.4 t60 -65.48 -19.72 66.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.475 179.35 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 6' ' ' LEU . . . . . . . . . . . . . 35.5 mt -106.67 -23.75 12.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.602 0.715 . . . . 0.0 109.981 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 7' ' ' CYS . . . . . 0.548 ' SG ' HD21 ' H' ' 11' ' ' LEU . 0.0 OUTLIER -79.45 -44.6 21.02 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 114.87 -1.059 . . . . 0.0 111.229 -178.796 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' H' H ' 8' ' ' GLY . . . . . 0.573 ' HA2' ' HG ' ' H' ' 11' ' ' LEU . . . -58.32 -28.48 61.88 Favored Glycine 0 N--CA 1.451 -0.327 0 CA-C-N 116.049 -0.523 . . . . 0.0 114.141 -179.399 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 9' ' ' SER . . . . . 0.533 ' HB3' ' OH ' ' F' ' 16' ' ' TYR . 13.3 p -67.33 -12.45 60.2 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.945 0.402 . . . . 0.0 111.46 -179.382 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 10' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -109.89 -18.59 13.36 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.705 0.288 . . . . 0.0 111.454 -179.226 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 11' ' ' LEU . . . . . 0.573 ' HG ' ' HA2' ' H' ' 8' ' ' GLY . 3.2 mt -72.64 -32.9 66.24 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 178.229 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 12' ' ' VAL . . . . . 0.53 ' HA ' HD12 ' H' ' 15' ' ' LEU . 2.4 m -65.24 -37.42 80.12 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.498 179.297 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 13' ' ' GLU . . . . . 0.59 ' HA ' ' CE2' ' H' ' 16' ' ' TYR . 20.9 mt-10 -61.74 -41.08 97.19 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.507 0.67 . . . . 0.0 109.376 179.567 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.08 -33.56 65.7 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.545 178.722 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 15' ' ' LEU . . . . . 0.53 HD12 ' HA ' ' H' ' 12' ' ' VAL . 16.7 mt -57.95 -57.68 11.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.209 -179.63 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 16' ' ' TYR . . . . . 0.705 ' HB2' ' HG3' ' F' ' 28' ' ' PRO . 4.0 p90 -63.63 -25.46 68.23 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 120.467 -0.493 . . . . 0.0 110.527 -179.074 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 17' ' ' LEU . . . . . 0.478 HD23 HD23 ' B' ' 17' ' ' LEU . 50.4 tp -73.2 -45.98 53.15 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.894 -0.593 . . . . 0.0 109.918 179.554 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 18' ' ' VAL . . . . . 0.499 HG13 HD12 ' G' ' 13' ' ' LEU . 42.5 t -65.02 -42.97 96.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.043 179.119 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 19' ' ' CYS . . . . . 0.732 ' HB3' ' HB2' ' H' ' 22' ' ' ARG . 81.2 m -68.13 -18.36 64.61 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.277 179.131 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.48 63.65 4.14 Favored Glycine 0 C--N 1.331 0.261 0 C-N-CA 120.969 -0.634 . . . . 0.0 112.445 179.119 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 21' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 73.18 -2.99 2.56 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 123.424 0.69 . . . . 0.0 111.819 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 22' ' ' ARG . . . . . 0.732 ' HB2' ' HB3' ' H' ' 19' ' ' CYS . 76.6 mtm180 -78.85 148.24 32.89 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 107.842 -1.169 . . . . 0.0 107.842 177.057 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 23' ' ' GLY . . . . . 0.76 ' HA2' ' HD2' ' F' ' 28' ' ' PRO . . . -75.94 -178.67 44.58 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.227 -0.987 . . . . 0.0 112.804 -179.155 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 24' ' ' PHE . . . . . 0.547 ' HE2' ' HB3' ' H' ' 16' ' ' TYR . 24.6 p90 -167.28 167.37 14.13 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 179.512 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 25' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -109.07 126.65 53.39 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 178.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 26' ' ' TYR . . . . . 0.553 ' CE1' HG22 ' G' ' 3' ' ' VAL . 83.0 t80 -119.45 110.87 17.42 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.962 0.41 . . . . 0.0 110.821 -179.171 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 27' ' ' THR . . . . . 0.669 HG22 ' HA3' ' F' ' 23' ' ' GLY . 3.3 p -119.54 95.83 49.43 Favored Pre-proline 0 C--N 1.316 -0.89 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.514 179.426 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 28' ' ' PRO . . . . . 0.772 ' HD2' ' HA2' ' F' ' 23' ' ' GLY . 38.5 Cg_endo -68.21 57.95 0.92 Allowed 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 123.354 2.703 . . . . 0.0 112.974 -178.705 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 29' ' ' LYS . . . . . 0.545 ' HG2' ' H ' ' H' ' 30' ' ' THR . 65.4 tttt -157.96 -163.58 1.35 Allowed 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.653 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 30' ' ' THR . . . . . 0.545 ' H ' ' HG2' ' H' ' 29' ' ' LYS . 13.2 t . . . . . 0 C--O 1.254 1.311 0 CA-C-O 118.077 -0.963 . . . . 0.0 108.852 178.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.753 0 N-CA-C 111.79 -0.524 . . . . 0.0 111.79 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' I' I ' 2' ' ' ILE . . . . . 0.462 HD11 HD11 ' J' ' 15' ' ' LEU . 3.8 tt -57.35 -50.8 75.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -179.48 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 3' ' ' VAL . . . . . 0.59 HG21 ' HA ' ' J' ' 28' ' ' PRO . 18.9 t -69.24 -19.95 23.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.463 0.649 . . . . 0.0 110.715 -179.646 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 4' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -80.75 -60.01 2.46 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.124 179.318 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 5' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -58.77 -53.41 58.63 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.649 -0.705 . . . . 0.0 112.577 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 6' ' ' CYS . . . . . 0.408 ' O ' ' HA ' ' I' ' 10' ' ' ILE . 79.7 m -68.13 -3.22 9.72 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 113.596 0.961 . . . . 0.0 113.596 -177.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 7' ' ' CYS . . . . . . . . . . . . . 25.5 t -116.57 -29.23 6.19 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.241 -0.584 . . . . 0.0 110.961 179.466 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 8' ' ' THR . . . . . 0.481 ' O ' HG21 ' B' ' 2' ' ' VAL . 27.7 p -82.32 -23.0 35.37 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.913 -0.315 . . . . 0.0 111.399 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 9' ' ' SER . . . . . 0.91 ' HA ' HG11 ' B' ' 2' ' ' VAL . 27.8 m -146.87 -6.64 0.5 Allowed 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.987 -0.285 . . . . 0.0 111.694 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 10' ' ' ILE . . . . . 0.786 HD13 ' HB ' ' B' ' 2' ' ' VAL . 1.9 mp 68.33 136.13 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 CA-C-O 121.501 0.667 . . . . 0.0 111.322 179.358 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 11' ' ' CYS . . . . . . . . . . . . . 57.8 m -97.8 154.84 17.35 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.43 -178.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 12' ' ' SER . . . . . . . . . . . . . 24.8 m -89.46 -179.71 5.88 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.295 179.413 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 13' ' ' LEU . . . . . 0.488 HD12 HG13 ' J' ' 18' ' ' VAL . 60.0 tp -52.83 -58.82 5.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.041 -0.527 . . . . 0.0 112.28 -178.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -65.65 -33.48 75.99 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -178.761 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -61.19 -44.96 96.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.72 0.295 . . . . 0.0 111.032 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 16' ' ' LEU . . . . . 0.492 HD12 HG21 ' J' ' 18' ' ' VAL . 89.8 mt -66.79 -37.02 83.74 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.983 -179.511 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 17' ' ' GLU . . . . . 0.566 ' HA ' ' SG ' ' I' ' 20' ' ' CYS . 37.8 tt0 -59.93 -20.67 58.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.927 0.394 . . . . 0.0 111.647 -179.14 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 18' ' ' ASN . . . . . . . . . . . . . 32.0 m120 -70.81 -13.11 61.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.989 179.229 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 19' ' ' TYR . . . . . 0.412 ' CE2' ' HB ' ' I' ' 2' ' ' ILE . 81.9 m-85 -106.19 6.21 30.63 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.038 0.384 . . . . 0.0 112.038 -179.028 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 20' ' ' CYS . . . . . 0.566 ' SG ' ' HA ' ' I' ' 17' ' ' GLU . 65.0 m -70.72 142.89 51.44 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 179.217 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 21' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 . . . . . 0 C--O 1.246 0.9 0 CA-C-O 118.211 -0.9 . . . . 0.0 109.911 -179.883 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' J' J ' 1' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.48 1.063 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 2' ' ' VAL . . . . . 0.962 HG11 ' HA ' ' E' ' 9' ' ' SER . 19.7 m -92.08 86.02 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.913 0.863 . . . . 0.0 110.882 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 3' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -168.14 -43.57 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 -179.351 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 4' ' ' GLN . . . . . 0.509 ' HA ' ' HB3' ' J' ' 7' ' ' CYS . 52.2 tt0 -54.96 -36.42 65.3 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.677 179.038 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 5' ' ' HIS . . . . . . . . . . . . . 75.2 t60 -64.67 -20.19 66.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.552 179.367 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 6' ' ' LEU . . . . . . . . . . . . . 35.1 mt -106.3 -24.25 12.33 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.734 0.778 . . . . 0.0 109.974 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 7' ' ' CYS . . . . . 0.539 ' SG ' HD21 ' J' ' 11' ' ' LEU . 0.0 OUTLIER -78.96 -44.35 22.65 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.711 -1.131 . . . . 0.0 111.271 -178.925 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' J' J ' 8' ' ' GLY . . . . . 0.564 ' HA2' ' HG ' ' J' ' 11' ' ' LEU . . . -58.68 -28.55 62.96 Favored Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.919 -0.582 . . . . 0.0 113.922 -179.138 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 9' ' ' SER . . . . . 0.523 ' HB3' ' OH ' ' L' ' 16' ' ' TYR . 15.8 p -67.38 -12.82 61.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 117.063 0.431 . . . . 0.0 111.4 -179.279 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 10' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -109.69 -18.11 13.54 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.926 -0.309 . . . . 0.0 111.425 -179.405 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 11' ' ' LEU . . . . . 0.564 ' HG ' ' HA2' ' J' ' 8' ' ' GLY . 3.3 mt -72.94 -32.56 65.35 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 178.2 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 12' ' ' VAL . . . . . 0.541 ' HA ' HD12 ' J' ' 15' ' ' LEU . 2.5 m -65.7 -37.12 79.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.444 179.127 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 13' ' ' GLU . . . . . 0.58 ' HA ' ' CE2' ' J' ' 16' ' ' TYR . 22.1 mt-10 -61.76 -41.21 97.39 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-O 121.464 0.649 . . . . 0.0 109.406 179.634 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.11 -33.1 65.36 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.7 178.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 15' ' ' LEU . . . . . 0.541 HD12 ' HA ' ' J' ' 12' ' ' VAL . 16.6 mt -58.15 -57.5 12.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.023 -0.535 . . . . 0.0 112.055 -179.65 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 16' ' ' TYR . . . . . 0.698 ' HB2' ' HG3' ' L' ' 28' ' ' PRO . 3.8 p90 -63.69 -25.51 68.24 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-O 121.18 0.514 . . . . 0.0 110.643 -179.112 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 17' ' ' LEU . . . . . 0.495 HD23 HD23 ' D' ' 17' ' ' LEU . 49.6 tp -73.33 -46.46 49.27 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.924 179.463 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 18' ' ' VAL . . . . . 0.492 HG21 HD12 ' I' ' 16' ' ' LEU . 42.9 t -64.03 -44.15 97.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.021 179.067 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 19' ' ' CYS . . . . . 0.761 ' HB3' ' HB2' ' J' ' 22' ' ' ARG . 80.8 m -66.81 -19.1 65.68 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.48 179.004 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.83 64.05 3.8 Favored Glycine 0 C--N 1.33 0.206 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.481 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 21' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 72.95 -3.57 2.38 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.205 0.602 . . . . 0.0 111.854 -179.374 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 22' ' ' ARG . . . . . 0.761 ' HB2' ' HB3' ' J' ' 19' ' ' CYS . 77.2 mtm180 -78.42 147.95 33.81 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 177.294 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 23' ' ' GLY . . . . . 0.796 ' HA2' ' HD2' ' L' ' 28' ' ' PRO . . . -75.76 -178.88 44.45 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.206 -0.997 . . . . 0.0 112.719 -179.191 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 24' ' ' PHE . . . . . 0.54 ' HE2' ' HB3' ' J' ' 16' ' ' TYR . 24.8 p90 -167.04 166.77 15.04 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 25' ' ' PHE . . . . . . . . . . . . . 11.0 p90 -108.38 126.24 52.65 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.387 -0.598 . . . . 0.0 109.387 178.712 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 26' ' ' TYR . . . . . 0.537 ' CE1' HG22 ' I' ' 3' ' ' VAL . 83.4 t80 -118.99 110.57 17.28 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.882 0.372 . . . . 0.0 110.81 -179.232 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 27' ' ' THR . . . . . 0.677 HG22 ' HA3' ' L' ' 23' ' ' GLY . 4.5 p -119.21 96.0 49.7 Favored Pre-proline 0 C--N 1.316 -0.884 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 179.521 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 28' ' ' PRO . . . . . 0.795 ' HD2' ' HA2' ' L' ' 23' ' ' GLY . 39.3 Cg_endo -68.27 58.2 0.95 Allowed 'Trans proline' 0 C--N 1.353 0.797 0 C-N-CA 123.284 2.656 . . . . 0.0 112.85 -178.789 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 29' ' ' LYS . . . . . 0.532 ' HG2' ' H ' ' J' ' 30' ' ' THR . 63.6 tttt -157.82 -161.51 1.04 Allowed 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 30' ' ' THR . . . . . 0.532 ' H ' ' HG2' ' J' ' 29' ' ' LYS . 12.0 t . . . . . 0 C--O 1.254 1.328 0 CA-C-O 117.616 -1.183 . . . . 0.0 108.34 179.13 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.325 0 N-CA-C 111.76 -0.536 . . . . 0.0 111.76 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' K' K ' 2' ' ' ILE . . . . . 0.474 HD11 HD11 ' L' ' 15' ' ' LEU . 3.5 tt -61.03 -50.89 78.71 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 CA-C-N 116.97 0.385 . . . . 0.0 111.751 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' K' K ' 3' ' ' VAL . . . . . 0.591 HG21 ' HA ' ' L' ' 28' ' ' PRO . 19.1 t -68.93 -19.73 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.498 0.666 . . . . 0.0 110.753 -179.658 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' K' K ' 4' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -80.79 -60.46 2.3 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.064 179.428 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 5' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -58.54 -53.3 59.84 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.672 -0.695 . . . . 0.0 112.454 -179.553 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 6' ' ' CYS . . . . . . . . . . . . . 84.0 m -68.47 -2.98 9.85 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -178.066 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 7' ' ' CYS . . . . . . . . . . . . . 24.6 t -116.55 -29.19 6.21 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.14 -0.624 . . . . 0.0 111.019 179.429 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 8' ' ' THR . . . . . 0.475 ' O ' HG21 ' H' ' 2' ' ' VAL . 30.5 p -82.53 -22.34 35.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.748 0.308 . . . . 0.0 111.236 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' K' K ' 9' ' ' SER . . . . . 0.957 ' HA ' HG11 ' H' ' 2' ' ' VAL . 38.1 m -147.82 -5.36 0.47 Allowed 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.672 -0.411 . . . . 0.0 111.705 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' K' K ' 10' ' ' ILE . . . . . 0.787 HD13 ' HB ' ' H' ' 2' ' ' VAL . 1.9 mp 66.91 133.29 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 CA-C-O 121.58 0.705 . . . . 0.0 111.658 179.149 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' K' K ' 11' ' ' CYS . . . . . . . . . . . . . 55.9 m -95.36 153.87 17.47 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.615 -179.083 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 12' ' ' SER . . . . . . . . . . . . . 26.1 m -89.75 177.54 6.49 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.51 179.414 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 13' ' ' LEU . . . . . 0.49 HD12 HG13 ' L' ' 18' ' ' VAL . 59.0 tp -49.21 -60.94 2.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.899 -0.591 . . . . 0.0 112.587 -178.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -64.65 -32.18 73.73 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -178.747 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -63.1 -44.83 94.57 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.664 0.268 . . . . 0.0 111.084 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 16' ' ' LEU . . . . . 0.491 HD12 HG21 ' L' ' 18' ' ' VAL . 89.3 mt -66.15 -36.89 84.31 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.861 -179.547 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' K' K ' 17' ' ' GLU . . . . . 0.56 ' HA ' ' SG ' ' K' ' 20' ' ' CYS . 36.4 tt0 -59.83 -21.23 60.63 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.602 -179.086 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' K' K ' 18' ' ' ASN . . . . . . . . . . . . . 32.4 m120 -70.66 -11.4 60.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.176 179.32 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 19' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -107.51 6.01 27.67 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -178.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 20' ' ' CYS . . . . . 0.56 ' SG ' ' HA ' ' K' ' 17' ' ' GLU . 65.1 m -70.72 142.23 51.48 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 179.261 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' K' K ' 21' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 . . . . . 0 C--O 1.246 0.898 0 CA-C-O 118.234 -0.888 . . . . 0.0 109.745 -179.902 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' L' L ' 1' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.481 1.095 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 2' ' ' VAL . . . . . 0.951 HG11 ' HA ' ' C' ' 9' ' ' SER . 20.9 m -90.88 87.07 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.797 0.808 . . . . 0.0 110.87 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' L' L ' 3' ' ' ASN . . . . . . . . . . . . . 30.3 t-20 -169.48 -43.49 0.02 OUTLIER 'General case' 0 CA--C 1.512 -0.487 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -179.52 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 4' ' ' GLN . . . . . 0.5 ' HA ' ' HB3' ' L' ' 7' ' ' CYS . 51.3 tt0 -55.71 -35.6 66.26 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.718 179.298 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' L' L ' 5' ' ' HIS . . . . . . . . . . . . . 75.2 t60 -65.1 -20.52 66.51 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.518 179.308 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 6' ' ' LEU . . . . . . . . . . . . . 36.0 mt -105.61 -24.92 12.46 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.696 0.76 . . . . 0.0 109.911 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 7' ' ' CYS . . . . . 0.539 ' SG ' HD21 ' L' ' 11' ' ' LEU . 0.0 OUTLIER -78.32 -44.64 24.69 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 114.725 -1.125 . . . . 0.0 111.297 -178.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' L' L ' 8' ' ' GLY . . . . . 0.589 ' HA2' ' HG ' ' L' ' 11' ' ' LEU . . . -58.15 -28.68 61.66 Favored Glycine 0 N--CA 1.45 -0.404 0 CA-C-N 116.036 -0.529 . . . . 0.0 114.121 -179.441 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' L' L ' 9' ' ' SER . . . . . 0.533 ' HB3' ' OH ' ' J' ' 16' ' ' TYR . 13.2 p -67.26 -12.63 60.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.923 0.392 . . . . 0.0 111.543 -179.43 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' L' L ' 10' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -109.68 -18.89 13.36 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.349 -179.309 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 11' ' ' LEU . . . . . 0.589 ' HG ' ' HA2' ' L' ' 8' ' ' GLY . 3.0 mt -72.31 -32.65 66.74 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 178.409 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' L' L ' 12' ' ' VAL . . . . . 0.513 ' HA ' HD12 ' L' ' 15' ' ' LEU . 2.5 m -65.59 -37.13 79.28 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-N 115.293 -0.867 . . . . 0.0 111.523 179.227 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' L' L ' 13' ' ' GLU . . . . . 0.592 ' HA ' ' CE2' ' L' ' 16' ' ' TYR . 21.9 mt-10 -61.95 -41.07 97.56 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 121.471 0.653 . . . . 0.0 109.292 179.607 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' L' L ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.2 -33.2 65.24 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.586 178.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 15' ' ' LEU . . . . . 0.513 HD12 ' HA ' ' L' ' 12' ' ' VAL . 16.4 mt -58.16 -57.5 12.57 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.237 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' L' L ' 16' ' ' TYR . . . . . 0.68 ' HB2' ' HG3' ' J' ' 28' ' ' PRO . 4.2 p90 -63.59 -25.6 68.31 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 120.422 -0.511 . . . . 0.0 110.641 -179.034 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' L' L ' 17' ' ' LEU . . . . . 0.475 HD23 HD23 ' F' ' 17' ' ' LEU . 49.4 tp -72.97 -46.89 49.8 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.948 179.495 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' L' L ' 18' ' ' VAL . . . . . 0.491 HG21 HD12 ' K' ' 16' ' ' LEU . 42.6 t -63.81 -42.62 96.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.392 178.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' L' L ' 19' ' ' CYS . . . . . 0.763 ' HB3' ' HB2' ' L' ' 22' ' ' ARG . 80.7 m -68.52 -18.83 64.45 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.312 179.183 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' L' L ' 20' ' ' GLY . . . . . 0.419 ' O ' ' HB2' ' L' ' 21' ' ' GLU . . . 65.1 62.65 4.75 Favored Glycine 0 C--N 1.33 0.234 0 C-N-CA 121.041 -0.6 . . . . 0.0 112.536 179.129 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' L' L ' 21' ' ' GLU . . . . . 0.419 ' HB2' ' O ' ' L' ' 20' ' ' GLY . 81.3 mt-10 74.34 -3.87 2.45 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.576 0.751 . . . . 0.0 111.755 -179.359 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' L' L ' 22' ' ' ARG . . . . . 0.763 ' HB2' ' HB3' ' L' ' 19' ' ' CYS . 77.4 mtm180 -77.78 147.65 35.19 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 177.09 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' L' L ' 23' ' ' GLY . . . . . 0.795 ' HA2' ' HD2' ' J' ' 28' ' ' PRO . . . -76.02 -178.79 44.99 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.126 -1.035 . . . . 0.0 112.835 -179.113 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' L' L ' 24' ' ' PHE . . . . . 0.538 ' HE2' ' HB3' ' L' ' 16' ' ' TYR . 25.0 p90 -166.95 167.32 14.83 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 179.683 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' L' L ' 25' ' ' PHE . . . . . . . . . . . . . 11.1 p90 -108.82 126.03 52.6 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 178.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 26' ' ' TYR . . . . . 0.541 ' CE1' HG22 ' K' ' 3' ' ' VAL . 83.2 t80 -119.0 110.65 17.36 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.986 0.422 . . . . 0.0 110.845 -179.14 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' L' L ' 27' ' ' THR . . . . . 0.672 HG22 ' HA3' ' J' ' 23' ' ' GLY . 5.1 p -118.96 95.82 49.64 Favored Pre-proline 0 C--N 1.315 -0.894 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.607 179.449 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' L' L ' 28' ' ' PRO . . . . . 0.796 ' HD2' ' HA2' ' J' ' 23' ' ' GLY . 41.6 Cg_endo -68.3 58.24 0.96 Allowed 'Trans proline' 0 C--N 1.353 0.781 0 C-N-CA 123.222 2.615 . . . . 0.0 113.027 -178.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' L' L ' 29' ' ' LYS . . . . . . . . . . . . . 66.6 tttt . . . . . 0 C--N 1.317 -0.835 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 -179.539 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' GLY . . . . . 0.469 ' O ' ' HG2' ' A' ' 5' ' ' GLN . . . . . . . . 0 N--CA 1.482 1.734 0 N-CA-C 112.144 -0.383 . . . . 0.0 112.144 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.454 ' CD1' HD11 ' B' ' 15' ' ' LEU . 10.5 tt -64.48 -41.75 93.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 120.704 0.288 . . . . 0.0 111.482 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.445 HG21 ' OG1' ' B' ' 30' ' ' THR . 33.0 m -71.33 -16.14 19.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.307 0.575 . . . . 0.0 111.095 179.746 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -84.56 -30.35 25.13 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.1 -0.954 . . . . 0.0 112.232 -179.057 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.61 ' HG3' ' SG ' ' A' ' 11' ' ' CYS . 5.0 pt20 -112.99 -32.35 6.39 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 113.172 0.805 . . . . 0.0 113.172 -178.269 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 61.0 m -88.67 -36.58 16.14 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -178.029 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.755 ' HB2' HD11 ' B' ' 11' ' ' LEU . 43.3 t -83.29 -6.1 59.36 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.021 0.439 . . . . 0.0 111.41 -178.876 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.1 p -88.46 -56.48 3.29 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.3 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.429 ' O ' ' HB ' ' A' ' 10' ' ' ILE . 33.5 p -144.9 24.56 1.49 Allowed 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.461 -179.404 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.48 HD13 ' HB3' ' F' ' 3' ' ' ASN . 2.1 mp 71.53 138.38 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 CA-C-O 121.492 0.663 . . . . 0.0 111.439 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.61 ' SG ' ' HG3' ' A' ' 5' ' ' GLN . 91.5 m -94.32 156.0 16.73 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.611 179.23 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.4 m -71.92 163.27 28.14 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 178.65 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 23.9 tp -51.73 -51.33 56.95 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.215 0.531 . . . . 0.0 111.326 -179.614 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -62.43 -30.35 71.16 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.299 -0.864 . . . . 0.0 112.136 -178.708 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.4 ' HB2' ' HB3' ' A' ' 11' ' ' CYS . 32.8 mt-30 -70.74 -33.24 70.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.707 0.289 . . . . 0.0 111.276 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 94.6 mt -69.07 -29.19 67.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.929 0.395 . . . . 0.0 110.45 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -66.64 -17.54 64.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.093 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -68.3 -18.27 64.47 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.555 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -102.52 6.34 39.88 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.42 -178.161 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 2.3 m -72.08 155.34 40.4 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.464 0.65 . . . . 0.0 112.483 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 . . . . . 0 C--O 1.251 1.166 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.277 178.962 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 8.5 t80 . . . . . 0 N--CA 1.481 1.084 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 33.6 m 42.36 -146.15 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 C-N-CA 124.271 1.028 . . . . 0.0 113.252 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 3' ' ' ASN . . . . . 0.519 ' HB3' HD13 ' I' ' 10' ' ' ILE . 24.4 t-20 -157.6 176.27 12.84 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 -177.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 4' ' ' GLN . . . . . 0.788 ' HA ' ' HB3' ' B' ' 7' ' ' CYS . 0.1 OUTLIER -51.34 -27.88 10.85 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 123.445 0.698 . . . . 0.0 110.535 178.815 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 5' ' ' HIS . . . . . 0.408 ' CD2' HG21 ' I' ' 10' ' ' ILE . 59.2 t60 -59.91 -14.99 18.08 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.29 179.308 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' B' ' 6' ' ' LEU . 14.6 mt -124.46 -13.84 7.01 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.244 0.545 . . . . 0.0 110.098 178.167 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 7' ' ' CYS . . . . . 0.788 ' HB3' ' HA ' ' B' ' 4' ' ' GLN . 1.7 t -85.44 -42.27 14.64 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.38 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 8' ' ' GLY . . . . . 0.467 ' HA3' ' OH ' ' B' ' 26' ' ' TYR . . . -64.26 -25.58 69.88 Favored Glycine 0 N--CA 1.451 -0.338 0 CA-C-N 115.944 -0.571 . . . . 0.0 114.079 -178.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 9' ' ' SER . . . . . 0.682 ' HB2' ' HG2' ' D' ' 13' ' ' GLU . 78.4 p -64.18 -17.88 63.95 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.064 0.459 . . . . 0.0 111.321 -179.193 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 10' ' ' HIS . . . . . 0.712 ' HA ' ' HG3' ' B' ' 13' ' ' GLU . 92.5 m-70 -105.58 -19.57 13.73 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.383 -179.713 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.755 HD11 ' HB2' ' A' ' 7' ' ' CYS . 54.9 mt -68.89 -38.94 79.96 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 177.551 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.648 ' HA ' ' HB2' ' B' ' 15' ' ' LEU . 15.3 m -68.9 -27.68 36.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 CA-C-N 114.683 -1.144 . . . . 0.0 112.385 -179.736 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.712 ' HG3' ' HA ' ' B' ' 10' ' ' HIS . 24.4 mt-10 -59.25 -49.57 77.33 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.447 0.641 . . . . 0.0 109.558 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.2 -30.0 63.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.548 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.648 ' HB2' ' HA ' ' B' ' 12' ' ' VAL . 4.5 mt -55.22 -61.5 2.28 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.202 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 16' ' ' TYR . . . . . 0.918 ' HB2' ' HG3' ' D' ' 28' ' ' PRO . 3.3 p90 -72.13 -19.91 61.71 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.179 -0.609 . . . . 0.0 111.32 -178.691 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 9.5 tt -66.77 -45.43 78.53 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 178.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 69.3 t -73.87 -40.48 53.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.467 178.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 2.3 t -64.97 -32.27 73.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.185 -179.316 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.81 -154.24 23.74 Favored Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.495 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -81.77 60.15 4.55 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.249 0.547 . . . . 0.0 111.03 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 66.0 mtt180 -121.11 -103.49 0.4 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.7 0.762 . . . . 0.0 110.36 179.501 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' GLY . . . . . 0.742 ' HA2' ' HD2' ' D' ' 28' ' ' PRO . . . 168.64 171.76 34.78 Favored Glycine 0 N--CA 1.439 -1.136 0 N-CA-C 109.67 -1.372 . . . . 0.0 109.67 -179.677 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 24' ' ' PHE . . . . . 0.771 ' CE1' ' HB3' ' B' ' 16' ' ' TYR . 11.4 p90 -160.12 160.6 33.18 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 117.435 0.617 . . . . 0.0 111.163 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 25' ' ' PHE . . . . . 0.534 ' HD1' ' HD1' ' D' ' 25' ' ' PHE . 15.8 m-85 -104.26 104.28 14.16 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.985 -1.007 . . . . 0.0 108.625 179.583 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.467 ' OH ' ' HA3' ' B' ' 8' ' ' GLY . 78.0 t80 -101.41 132.37 47.02 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.724 -179.483 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 27' ' ' THR . . . . . 0.4 ' C ' ' H ' ' B' ' 29' ' ' LYS . 6.5 p -123.44 96.97 43.09 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.225 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 28' ' ' PRO . . . . . 0.913 ' HG3' ' HB2' ' D' ' 16' ' ' TYR . 96.2 Cg_endo -77.8 34.99 0.49 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.715 2.276 . . . . 0.0 111.645 179.259 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.4 ' H ' ' C ' ' B' ' 27' ' ' THR . 87.2 tttt -105.89 133.18 51.02 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.538 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 30' ' ' THR . . . . . 0.445 ' OG1' HG21 ' A' ' 3' ' ' VAL . 23.7 m . . . . . 0 C--O 1.246 0.899 0 CA-C-O 118.527 -0.749 . . . . 0.0 109.56 -179.48 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 1' ' ' GLY . . . . . 0.477 ' O ' ' HG2' ' C' ' 5' ' ' GLN . . . . . . . . 0 N--CA 1.479 1.546 0 N-CA-C 111.553 -0.619 . . . . 0.0 111.553 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 2' ' ' ILE . . . . . 0.452 ' CD1' HD11 ' D' ' 15' ' ' LEU . 10.2 tt -66.06 -41.46 89.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 117.007 0.404 . . . . 0.0 111.342 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 3' ' ' VAL . . . . . 0.419 ' O ' ' HB3' ' C' ' 7' ' ' CYS . 33.5 m -70.44 -18.63 21.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.243 0.545 . . . . 0.0 110.814 179.641 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -81.68 -31.44 32.21 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.215 -0.902 . . . . 0.0 112.414 -179.086 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 5' ' ' GLN . . . . . 0.588 ' HG3' ' SG ' ' C' ' 11' ' ' CYS . 4.8 pt20 -112.64 -30.19 7.19 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 113.464 0.912 . . . . 0.0 113.464 -178.09 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 61.0 m -90.86 -35.85 14.54 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -178.018 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 7' ' ' CYS . . . . . 0.713 ' HB2' HD11 ' D' ' 11' ' ' LEU . 43.9 t -83.18 -7.2 59.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.951 0.405 . . . . 0.0 111.176 -179.241 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 1.2 p -87.27 -57.16 3.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 122.325 -0.234 . . . . 0.0 111.522 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 9' ' ' SER . . . . . 0.44 ' O ' ' HB ' ' C' ' 10' ' ' ILE . 25.5 p -144.13 24.7 1.61 Allowed 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 -179.401 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 10' ' ' ILE . . . . . 0.514 HD13 ' HB3' ' L' ' 3' ' ' ASN . 2.0 mp 71.53 138.03 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 CA-C-O 121.451 0.643 . . . . 0.0 111.422 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 11' ' ' CYS . . . . . 0.588 ' SG ' ' HG3' ' C' ' 5' ' ' GLN . 96.0 m -93.54 158.55 15.65 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.349 179.322 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 15.8 m -74.9 163.29 27.81 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 178.489 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 23.0 tp -51.43 -50.42 59.76 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.25 0.548 . . . . 0.0 111.514 -179.528 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -64.06 -28.48 69.81 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.318 -0.856 . . . . 0.0 112.223 -178.691 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 15' ' ' GLN . . . . . 0.418 ' HB2' ' HB3' ' C' ' 11' ' ' CYS . 33.4 mt-30 -72.58 -31.86 65.55 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.724 0.297 . . . . 0.0 111.199 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 91.5 mt -70.0 -30.17 67.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.836 0.351 . . . . 0.0 110.319 179.56 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -65.87 -16.97 64.32 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.21 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -69.47 -18.03 63.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.504 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -102.33 6.12 40.24 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.483 -178.467 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 2.9 m -73.1 152.46 41.2 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 . . . . . 0 C--O 1.251 1.169 0 CA-C-N 115.135 -0.938 . . . . 0.0 109.295 178.659 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 9.4 t80 . . . . . 0 N--CA 1.48 1.042 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' D' D ' 2' ' ' VAL . . . . . . . . . . . . . 33.4 m 42.93 -146.42 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 C-N-CA 124.423 1.089 . . . . 0.0 113.203 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 3' ' ' ASN . . . . . 0.524 ' HB3' HD13 ' G' ' 10' ' ' ILE . 24.7 t-20 -156.99 177.32 11.65 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 110.094 -0.335 . . . . 0.0 110.094 -177.825 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 4' ' ' GLN . . . . . 0.806 ' HA ' ' HB3' ' D' ' 7' ' ' CYS . 0.1 OUTLIER -52.52 -27.56 16.97 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 123.25 0.62 . . . . 0.0 110.493 178.628 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 5' ' ' HIS . . . . . . . . . . . . . 60.0 t60 -59.85 -15.24 19.59 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.292 179.296 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 6' ' ' LEU . . . . . 0.453 HD23 ' HA ' ' D' ' 6' ' ' LEU . 14.8 mt -123.97 -14.54 7.1 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.327 0.584 . . . . 0.0 110.103 178.133 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 7' ' ' CYS . . . . . 0.806 ' HB3' ' HA ' ' D' ' 4' ' ' GLN . 1.7 t -84.62 -42.33 15.49 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.59 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 8' ' ' GLY . . . . . 0.464 ' HA3' ' OH ' ' D' ' 26' ' ' TYR . . . -64.13 -25.03 69.26 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 121.312 -0.47 . . . . 0.0 114.271 -178.856 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 9' ' ' SER . . . . . 0.701 ' HB2' ' HG2' ' B' ' 13' ' ' GLU . 77.4 p -64.85 -18.12 64.87 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.953 0.406 . . . . 0.0 111.451 -178.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 10' ' ' HIS . . . . . 0.719 ' HA ' ' HG3' ' D' ' 13' ' ' GLU . 92.4 m-70 -104.99 -19.75 13.74 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.359 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 11' ' ' LEU . . . . . 0.713 HD11 ' HB2' ' C' ' 7' ' ' CYS . 58.8 mt -68.86 -38.81 80.01 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 177.757 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 12' ' ' VAL . . . . . 0.64 ' HA ' ' HB2' ' D' ' 15' ' ' LEU . 15.4 m -69.12 -27.97 37.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 114.728 -1.124 . . . . 0.0 112.218 -179.698 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 13' ' ' GLU . . . . . 0.719 ' HG3' ' HA ' ' D' ' 10' ' ' HIS . 23.8 mt-10 -59.07 -49.28 78.47 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 121.359 0.599 . . . . 0.0 109.475 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.34 -30.2 63.18 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.377 -0.828 . . . . 0.0 110.709 179.178 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 15' ' ' LEU . . . . . 0.64 ' HB2' ' HA ' ' D' ' 12' ' ' VAL . 4.6 mt -55.24 -62.1 1.89 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.996 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 16' ' ' TYR . . . . . 0.913 ' HB2' ' HG3' ' B' ' 28' ' ' PRO . 3.3 p90 -71.22 -20.48 62.25 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 120.321 -0.552 . . . . 0.0 111.277 -178.62 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 9.4 tt -66.71 -44.94 80.32 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 178.76 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 69.8 t -74.3 -40.76 50.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.109 178.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 19' ' ' CYS . . . . . . . . . . . . . 2.0 t -64.41 -32.2 73.72 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.19 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.16 -152.93 22.52 Favored Glycine 0 N--CA 1.444 -0.821 0 C-N-CA 120.527 -0.844 . . . . 0.0 112.42 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -83.15 58.92 4.68 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.173 0.511 . . . . 0.0 110.972 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 22' ' ' ARG . . . . . . . . . . . . . 69.6 mtt180 -120.23 -103.1 0.41 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.81 0.814 . . . . 0.0 110.461 179.366 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 23' ' ' GLY . . . . . 0.693 ' HA2' ' HD2' ' B' ' 28' ' ' PRO . . . 168.48 171.42 34.3 Favored Glycine 0 N--CA 1.437 -1.261 0 CA-C-N 114.281 -1.327 . . . . 0.0 109.866 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 24' ' ' PHE . . . . . 0.772 ' CE1' ' HB3' ' D' ' 16' ' ' TYR . 10.9 p90 -159.8 160.25 33.62 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.473 0.654 . . . . 0.0 111.536 -179.708 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 25' ' ' PHE . . . . . 0.534 ' HD1' ' HD1' ' B' ' 25' ' ' PHE . 15.2 m-85 -103.76 104.01 13.97 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.933 -1.03 . . . . 0.0 108.985 179.534 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 26' ' ' TYR . . . . . 0.464 ' OH ' ' HA3' ' D' ' 8' ' ' GLY . 76.7 t80 -101.06 131.98 46.71 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.458 -0.497 . . . . 0.0 110.723 -179.459 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 27' ' ' THR . . . . . 0.4 ' C ' ' H ' ' D' ' 29' ' ' LYS . 4.9 p -123.54 95.99 44.24 Favored Pre-proline 0 C--N 1.32 -0.711 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.289 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 28' ' ' PRO . . . . . 0.918 ' HG3' ' HB2' ' B' ' 16' ' ' TYR . 98.1 Cg_endo -77.14 35.58 0.5 Allowed 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 123.083 2.522 . . . . 0.0 111.627 179.247 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 29' ' ' LYS . . . . . 0.4 ' H ' ' C ' ' D' ' 27' ' ' THR . 87.5 tttt -106.41 132.63 52.22 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.342 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 30' ' ' THR . . . . . 0.409 ' OG1' HG21 ' C' ' 3' ' ' VAL . 26.8 m . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.553 -0.737 . . . . 0.0 109.788 -179.332 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 1' ' ' GLY . . . . . 0.514 ' O ' ' HG2' ' E' ' 5' ' ' GLN . . . . . . . . 0 N--CA 1.487 2.096 0 N-CA-C 111.869 -0.493 . . . . 0.0 111.869 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 2' ' ' ILE . . . . . 0.466 ' CD1' HD11 ' F' ' 15' ' ' LEU . 10.6 tt -67.27 -41.89 87.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.771 0.32 . . . . 0.0 111.147 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 33.9 m -70.84 -17.2 20.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.221 0.534 . . . . 0.0 110.957 179.656 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 4' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -82.72 -31.34 28.54 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.208 -0.905 . . . . 0.0 112.356 -179.184 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 5' ' ' GLN . . . . . 0.592 ' HG3' ' SG ' ' E' ' 11' ' ' CYS . 4.8 pt20 -112.43 -31.43 6.81 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 113.234 0.828 . . . . 0.0 113.234 -177.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 6' ' ' CYS . . . . . . . . . . . . . 60.6 m -89.63 -35.99 15.53 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -178.075 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 7' ' ' CYS . . . . . 0.72 ' HB2' HD11 ' F' ' 11' ' ' LEU . 43.2 t -83.26 -7.08 59.65 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.046 0.45 . . . . 0.0 111.409 -179.242 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 1.2 p -87.28 -56.96 3.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 122.206 -0.309 . . . . 0.0 111.438 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 9' ' ' SER . . . . . 0.428 ' O ' ' HB ' ' E' ' 10' ' ' ILE . 12.2 p -144.76 25.56 1.45 Allowed 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.748 0.277 . . . . 0.0 111.748 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 10' ' ' ILE . . . . . 0.508 HD13 ' HB3' ' J' ' 3' ' ' ASN . 2.0 mp 71.04 137.53 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 CA-C-O 121.494 0.664 . . . . 0.0 111.834 179.672 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 11' ' ' CYS . . . . . 0.592 ' SG ' ' HG3' ' E' ' 5' ' ' GLN . 91.8 m -93.27 155.94 17.11 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.764 179.216 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 12' ' ' SER . . . . . . . . . . . . . 9.5 m -72.06 162.87 28.84 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 178.453 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 23.4 tp -51.4 -50.39 59.71 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.214 0.53 . . . . 0.0 111.605 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -64.15 -28.12 69.55 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.409 -0.814 . . . . 0.0 112.258 -178.608 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 15' ' ' GLN . . . . . 0.407 ' HB2' ' HB3' ' E' ' 11' ' ' CYS . 33.7 mt-30 -72.63 -32.45 65.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.767 0.318 . . . . 0.0 110.968 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 16' ' ' LEU . . . . . . . . . . . . . 91.9 mt -69.41 -30.01 67.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.898 0.38 . . . . 0.0 110.501 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 17' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -66.53 -16.37 64.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.155 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 18' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -69.6 -17.74 63.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.462 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 19' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -102.76 6.39 39.34 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.529 -178.573 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 20' ' ' CYS . . . . . . . . . . . . . 2.3 m -72.31 154.05 41.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.296 0.569 . . . . 0.0 112.446 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 21' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 . . . . . 0 C--O 1.252 1.201 0 CA-C-N 115.133 -0.939 . . . . 0.0 109.626 179.184 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' F' F ' 1' ' ' PHE . . . . . . . . . . . . . 9.3 t80 . . . . . 0 N--CA 1.48 1.037 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' F' F ' 2' ' ' VAL . . . . . . . . . . . . . 33.9 m 42.05 -146.18 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 124.313 1.045 . . . . 0.0 113.261 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 3' ' ' ASN . . . . . 0.48 ' HB3' HD13 ' A' ' 10' ' ' ILE . 24.3 t-20 -157.36 176.68 12.36 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.521 -0.308 . . . . 0.0 110.208 -178.069 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 4' ' ' GLN . . . . . 0.802 ' HA ' ' HB3' ' F' ' 7' ' ' CYS . 0.1 OUTLIER -51.93 -27.5 13.28 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 123.516 0.726 . . . . 0.0 110.519 178.759 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' F' F ' 5' ' ' HIS . . . . . 0.432 ' CD2' HG21 ' A' ' 10' ' ' ILE . 62.1 t60 -60.46 -14.51 19.71 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.144 179.279 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 6' ' ' LEU . . . . . . . . . . . . . 14.7 mt -124.34 -15.03 6.81 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.35 0.595 . . . . 0.0 110.047 178.175 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 7' ' ' CYS . . . . . 0.802 ' HB3' ' HA ' ' F' ' 4' ' ' GLN . 1.8 t -84.22 -43.17 15.17 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.346 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 8' ' ' GLY . . . . . 0.458 ' HA3' ' OH ' ' F' ' 26' ' ' TYR . . . -63.22 -25.38 68.24 Favored Glycine 0 N--CA 1.449 -0.47 0 N-CA-C 114.266 0.466 . . . . 0.0 114.266 -179.048 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 9' ' ' SER . . . . . 0.698 ' HB2' ' HG2' ' H' ' 13' ' ' GLU . 79.2 p -64.82 -17.73 64.5 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.049 0.452 . . . . 0.0 111.426 -179.047 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 10' ' ' HIS . . . . . 0.716 ' HA ' ' HG3' ' F' ' 13' ' ' GLU . 92.9 m-70 -105.54 -19.27 13.83 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.397 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 11' ' ' LEU . . . . . 0.72 HD11 ' HB2' ' E' ' 7' ' ' CYS . 57.2 mt -69.15 -38.89 79.0 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 177.49 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 12' ' ' VAL . . . . . 0.659 ' HA ' ' HB2' ' F' ' 15' ' ' LEU . 15.3 m -68.95 -27.59 36.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 114.695 -1.139 . . . . 0.0 112.304 -179.685 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 13' ' ' GLU . . . . . 0.716 ' HG3' ' HA ' ' F' ' 10' ' ' HIS . 23.6 mt-10 -59.25 -49.56 77.37 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 121.342 0.591 . . . . 0.0 109.583 179.669 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.21 -30.46 63.52 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.71 179.235 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 15' ' ' LEU . . . . . 0.659 ' HB2' ' HA ' ' F' ' 12' ' ' VAL . 4.5 mt -55.03 -61.59 2.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.903 -0.589 . . . . 0.0 112.189 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 16' ' ' TYR . . . . . 0.916 ' HB2' ' HG3' ' H' ' 28' ' ' PRO . 3.6 p90 -71.98 -20.21 61.76 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 120.169 -0.612 . . . . 0.0 111.182 -178.676 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 9.3 tt -66.52 -45.35 79.8 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 70.7 t -73.75 -41.24 54.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.317 178.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 19' ' ' CYS . . . . . . . . . . . . . 2.0 t -64.03 -32.51 74.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.047 -179.505 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.53 -154.02 23.78 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.159 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 21' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -81.53 60.59 4.6 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.353 0.597 . . . . 0.0 110.927 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 22' ' ' ARG . . . . . . . . . . . . . 63.2 mtt180 -121.92 -103.56 0.39 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.788 0.804 . . . . 0.0 110.225 179.387 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 23' ' ' GLY . . . . . 0.701 ' HA2' ' HD2' ' H' ' 28' ' ' PRO . . . 168.46 171.1 33.95 Favored Glycine 0 N--CA 1.44 -1.094 0 N-CA-C 109.803 -1.319 . . . . 0.0 109.803 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 24' ' ' PHE . . . . . 0.785 ' CE1' ' HB3' ' F' ' 16' ' ' TYR . 11.3 p90 -159.45 160.3 34.61 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.375 0.607 . . . . 0.0 111.363 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 25' ' ' PHE . . . . . 0.52 ' HD1' ' HD1' ' H' ' 25' ' ' PHE . 15.5 m-85 -103.77 104.85 14.92 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.916 -1.038 . . . . 0.0 108.664 179.379 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 26' ' ' TYR . . . . . 0.458 ' OH ' ' HA3' ' F' ' 8' ' ' GLY . 77.7 t80 -101.98 131.97 48.08 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.353 -0.539 . . . . 0.0 110.66 -179.587 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 27' ' ' THR . . . . . . . . . . . . . 5.9 p -123.38 97.38 42.68 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.063 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 28' ' ' PRO . . . . . 0.897 ' HG3' ' HB2' ' H' ' 16' ' ' TYR . 98.6 Cg_endo -77.89 34.7 0.49 Allowed 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 123.042 2.495 . . . . 0.0 111.587 179.386 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 29' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -104.76 135.65 45.74 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.111 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 30' ' ' THR . . . . . . . . . . . . . 24.6 m . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.744 -0.646 . . . . 0.0 109.68 -179.622 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' G' G ' 1' ' ' GLY . . . . . 0.5 ' O ' ' HG2' ' G' ' 5' ' ' GLN . . . . . . . . 0 N--CA 1.491 2.344 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 2' ' ' ILE . . . . . 0.441 ' CD1' HD11 ' H' ' 15' ' ' LEU . 9.8 tt -67.64 -41.26 85.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.892 0.377 . . . . 0.0 111.035 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 3' ' ' VAL . . . . . 0.432 HG21 ' OG1' ' H' ' 30' ' ' THR . 33.8 m -70.97 -16.47 19.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.257 0.551 . . . . 0.0 111.082 179.596 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 4' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -84.61 -29.99 25.32 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.234 -0.894 . . . . 0.0 112.079 -178.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 5' ' ' GLN . . . . . 0.583 ' HG3' ' SG ' ' G' ' 11' ' ' CYS . 4.9 pt20 -113.48 -30.56 6.82 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 -178.093 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 6' ' ' CYS . . . . . . . . . . . . . 61.1 m -90.95 -35.4 14.72 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -178.06 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 7' ' ' CYS . . . . . 0.735 ' HB2' HD11 ' H' ' 11' ' ' LEU . 46.0 t -83.96 -6.09 59.35 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.039 0.447 . . . . 0.0 111.322 -179.173 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -88.19 -56.54 3.28 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.376 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 9' ' ' SER . . . . . 0.431 ' O ' ' HB ' ' G' ' 10' ' ' ILE . 29.1 p -145.33 25.04 1.39 Allowed 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 121.038 -0.265 . . . . 0.0 111.597 -179.592 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 10' ' ' ILE . . . . . 0.524 HD13 ' HB3' ' D' ' 3' ' ' ASN . 2.1 mp 71.72 139.22 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 CA-C-O 121.525 0.679 . . . . 0.0 111.647 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 11' ' ' CYS . . . . . 0.583 ' SG ' ' HG3' ' G' ' 5' ' ' GLN . 94.0 m -94.87 156.5 16.32 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.459 179.42 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 12' ' ' SER . . . . . . . . . . . . . 5.9 m -72.62 163.45 28.04 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 178.498 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 13' ' ' LEU . . . . . . . . . . . . . 23.2 tp -51.59 -50.97 59.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.248 0.547 . . . . 0.0 111.638 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -62.99 -30.13 71.36 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.96 -178.676 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 15' ' ' GLN . . . . . 0.402 ' HB2' ' HB3' ' G' ' 11' ' ' CYS . 33.5 mt-30 -70.77 -32.57 69.74 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.736 0.303 . . . . 0.0 111.266 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 16' ' ' LEU . . . . . . . . . . . . . 93.5 mt -69.76 -28.53 65.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.986 0.422 . . . . 0.0 110.629 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 17' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -68.08 -16.0 63.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.225 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 18' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -69.42 -20.06 63.79 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.322 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 19' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -100.26 6.1 44.65 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.795 -178.439 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 20' ' ' CYS . . . . . . . . . . . . . 2.9 m -73.0 153.77 40.78 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -179.592 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 21' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 . . . . . 0 C--O 1.251 1.146 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.413 178.911 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' H' H ' 1' ' ' PHE . . . . . . . . . . . . . 9.7 t80 . . . . . 0 N--CA 1.482 1.126 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' H' H ' 2' ' ' VAL . . . . . . . . . . . . . 33.8 m 42.66 -146.17 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 C-N-CA 124.181 0.992 . . . . 0.0 113.207 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 3' ' ' ASN . . . . . 0.491 ' HB3' HD13 ' K' ' 10' ' ' ILE . 24.4 t-20 -157.4 176.84 12.15 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 -177.826 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 4' ' ' GLN . . . . . 0.787 ' HA ' ' HB3' ' H' ' 7' ' ' CYS . 0.1 OUTLIER -51.85 -28.34 15.58 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 123.413 0.685 . . . . 0.0 110.394 178.623 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' H' H ' 5' ' ' HIS . . . . . 0.424 ' CD2' HG21 ' K' ' 10' ' ' ILE . 61.1 t60 -59.59 -15.12 16.41 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.269 179.361 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 6' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' H' ' 6' ' ' LEU . 14.7 mt -124.08 -14.09 7.15 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.335 0.588 . . . . 0.0 110.02 178.151 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 7' ' ' CYS . . . . . 0.787 ' HB3' ' HA ' ' H' ' 4' ' ' GLN . 1.7 t -85.05 -42.51 14.78 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.368 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 8' ' ' GLY . . . . . 0.468 ' HA3' ' OH ' ' H' ' 26' ' ' TYR . . . -64.17 -25.27 69.52 Favored Glycine 0 N--CA 1.452 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 113.961 -178.802 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 9' ' ' SER . . . . . 0.678 ' HB2' ' HG2' ' F' ' 13' ' ' GLU . 77.3 p -64.66 -17.42 64.04 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.0 0.429 . . . . 0.0 111.419 -179.025 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 10' ' ' HIS . . . . . 0.709 ' HA ' ' HG3' ' H' ' 13' ' ' GLU . 92.9 m-70 -105.71 -19.89 13.62 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.447 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 11' ' ' LEU . . . . . 0.735 HD11 ' HB2' ' G' ' 7' ' ' CYS . 55.6 mt -68.57 -38.78 81.0 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 177.599 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 12' ' ' VAL . . . . . 0.636 ' HA ' ' HB2' ' H' ' 15' ' ' LEU . 15.5 m -68.99 -27.75 36.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 114.778 -1.101 . . . . 0.0 112.229 -179.638 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 13' ' ' GLU . . . . . 0.709 ' HG3' ' HA ' ' H' ' 10' ' ' HIS . 24.1 mt-10 -59.1 -49.54 77.48 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-O 121.387 0.613 . . . . 0.0 109.465 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.39 -29.9 62.92 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.788 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 15' ' ' LEU . . . . . 0.636 ' HB2' ' HA ' ' H' ' 12' ' ' VAL . 4.5 mt -55.34 -61.9 2.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.89 -0.595 . . . . 0.0 112.128 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 16' ' ' TYR . . . . . 0.897 ' HB2' ' HG3' ' F' ' 28' ' ' PRO . 3.6 p90 -71.62 -20.07 62.03 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.128 -0.629 . . . . 0.0 111.064 -178.62 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 9.4 tt -66.86 -44.73 80.23 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 178.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 69.7 t -74.86 -39.26 45.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.319 178.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 19' ' ' CYS . . . . . . . . . . . . . 2.3 t -66.05 -31.45 72.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.162 -179.35 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.52 -152.49 22.61 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.577 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 21' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -83.34 58.76 4.67 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.352 0.596 . . . . 0.0 110.848 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 22' ' ' ARG . . . . . . . . . . . . . 69.9 mtt180 -119.82 -104.03 0.4 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.565 0.698 . . . . 0.0 110.381 179.272 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 23' ' ' GLY . . . . . 0.716 ' HA2' ' HD2' ' F' ' 28' ' ' PRO . . . 169.59 171.63 35.38 Favored Glycine 0 N--CA 1.437 -1.236 0 N-CA-C 109.652 -1.379 . . . . 0.0 109.652 -179.645 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 24' ' ' PHE . . . . . 0.777 ' CE1' ' HB3' ' H' ' 16' ' ' TYR . 11.0 p90 -160.07 159.99 32.59 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 117.506 0.653 . . . . 0.0 111.282 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 25' ' ' PHE . . . . . 0.52 ' HD1' ' HD1' ' F' ' 25' ' ' PHE . 15.1 m-85 -103.72 103.45 13.35 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.011 179.508 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 26' ' ' TYR . . . . . 0.468 ' OH ' ' HA3' ' H' ' 8' ' ' GLY . 77.0 t80 -100.09 133.29 44.69 Favored 'General case' 0 C--N 1.318 -0.793 0 C-N-CA 120.354 -0.539 . . . . 0.0 110.782 -179.627 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 27' ' ' THR . . . . . . . . . . . . . 4.5 p -124.61 96.56 40.76 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.066 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 28' ' ' PRO . . . . . 0.916 ' HG3' ' HB2' ' F' ' 16' ' ' TYR . 99.0 Cg_endo -77.89 35.61 0.53 Allowed 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.983 2.455 . . . . 0.0 111.717 179.505 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 29' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -106.12 133.55 50.65 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.332 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 30' ' ' THR . . . . . 0.432 ' OG1' HG21 ' G' ' 3' ' ' VAL . 26.0 m . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.92 -0.562 . . . . 0.0 109.811 -179.481 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 1' ' ' GLY . . . . . 0.476 ' O ' ' HG2' ' I' ' 5' ' ' GLN . . . . . . . . 0 N--CA 1.492 2.375 0 N-CA-C 111.837 -0.505 . . . . 0.0 111.837 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 2' ' ' ILE . . . . . 0.453 ' CD1' HD11 ' J' ' 15' ' ' LEU . 10.5 tt -64.89 -42.12 93.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 117.074 0.437 . . . . 0.0 111.425 -179.58 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 3' ' ' VAL . . . . . 0.446 HG21 ' OG1' ' J' ' 30' ' ' THR . 33.3 m -70.28 -17.94 21.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 121.364 0.602 . . . . 0.0 111.076 179.733 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 4' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -82.74 -30.04 29.31 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.216 -0.902 . . . . 0.0 112.227 -179.02 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 5' ' ' GLN . . . . . 0.57 ' HG3' ' SG ' ' I' ' 11' ' ' CYS . 5.0 pt20 -113.76 -31.15 6.54 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 -178.296 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 6' ' ' CYS . . . . . . . . . . . . . 60.6 m -89.92 -36.08 15.22 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -178.069 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 7' ' ' CYS . . . . . 0.738 ' HB2' HD11 ' J' ' 11' ' ' LEU . 45.3 t -83.6 -5.78 59.27 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.96 0.41 . . . . 0.0 111.331 -179.06 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -88.32 -57.45 2.92 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.235 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 9' ' ' SER . . . . . 0.423 ' O ' ' HB ' ' I' ' 10' ' ' ILE . 14.5 p -144.76 26.07 1.42 Allowed 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.681 0.252 . . . . 0.0 111.681 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 10' ' ' ILE . . . . . 0.519 HD13 ' HB3' ' B' ' 3' ' ' ASN . 2.1 mp 71.13 137.46 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 CA-C-O 121.586 0.707 . . . . 0.0 111.886 179.58 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 11' ' ' CYS . . . . . 0.57 ' SG ' ' HG3' ' I' ' 5' ' ' GLN . 92.1 m -93.39 155.78 17.17 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.617 179.302 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 12' ' ' SER . . . . . . . . . . . . . 11.0 m -72.38 163.05 28.63 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 178.684 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 13' ' ' LEU . . . . . . . . . . . . . 24.0 tp -50.86 -51.0 55.66 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.4 0.619 . . . . 0.0 111.749 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -63.46 -28.21 69.81 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.259 -0.882 . . . . 0.0 112.41 -178.735 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -73.01 -32.14 64.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.746 0.308 . . . . 0.0 111.012 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 16' ' ' LEU . . . . . . . . . . . . . 93.3 mt -69.7 -29.53 66.96 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.951 0.405 . . . . 0.0 110.469 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 17' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -67.03 -16.16 64.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.318 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 18' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -68.97 -20.0 64.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.989 0.423 . . . . 0.0 111.174 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 19' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -100.4 6.2 44.42 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.709 -178.369 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 20' ' ' CYS . . . . . . . . . . . . . 2.2 m -72.67 153.0 41.41 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.347 0.594 . . . . 0.0 112.477 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 21' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 . . . . . 0 C--O 1.251 1.181 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.037 178.742 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' J' J ' 1' ' ' PHE . . . . . . . . . . . . . 10.2 t80 . . . . . 0 N--CA 1.483 1.184 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' J' J ' 2' ' ' VAL . . . . . . . . . . . . . 34.0 m 42.4 -145.91 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 C-N-CA 124.416 1.087 . . . . 0.0 113.219 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 3' ' ' ASN . . . . . 0.508 ' HB3' HD13 ' E' ' 10' ' ' ILE . 24.5 t-20 -157.93 176.16 12.9 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 -177.835 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 4' ' ' GLN . . . . . 0.813 ' HA ' ' HB3' ' J' ' 7' ' ' CYS . 0.1 OUTLIER -51.23 -28.17 10.86 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 123.423 0.689 . . . . 0.0 110.492 178.691 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' J' J ' 5' ' ' HIS . . . . . 0.426 ' CD2' HG21 ' E' ' 10' ' ' ILE . 59.5 t60 -59.56 -15.36 17.81 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.352 179.199 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 6' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' J' ' 6' ' ' LEU . 14.9 mt -124.02 -13.94 7.21 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.39 0.614 . . . . 0.0 110.141 178.055 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 7' ' ' CYS . . . . . 0.813 ' HB3' ' HA ' ' J' ' 4' ' ' GLN . 1.6 t -85.44 -41.93 14.95 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.373 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 8' ' ' GLY . . . . . 0.461 ' HA3' ' OH ' ' J' ' 26' ' ' TYR . . . -64.37 -25.72 70.14 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 121.322 -0.466 . . . . 0.0 114.156 -178.878 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 9' ' ' SER . . . . . 0.675 ' HB2' ' HG2' ' L' ' 13' ' ' GLU . 78.5 p -64.11 -18.21 64.19 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.869 0.366 . . . . 0.0 111.317 -179.066 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 10' ' ' HIS . . . . . 0.705 ' HA ' ' HG3' ' J' ' 13' ' ' GLU . 92.9 m-70 -105.25 -19.06 13.92 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.967 0.413 . . . . 0.0 110.431 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 11' ' ' LEU . . . . . 0.738 HD11 ' HB2' ' I' ' 7' ' ' CYS . 57.8 mt -69.22 -38.87 78.78 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 177.596 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 12' ' ' VAL . . . . . 0.651 ' HA ' ' HB2' ' J' ' 15' ' ' LEU . 15.5 m -69.13 -27.73 36.27 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 CA-C-N 114.613 -1.176 . . . . 0.0 112.303 -179.608 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 13' ' ' GLU . . . . . 0.705 ' HG3' ' HA ' ' J' ' 10' ' ' HIS . 24.3 mt-10 -59.17 -49.38 78.07 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.296 0.57 . . . . 0.0 109.554 179.711 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.26 -30.41 63.42 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.606 179.193 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 15' ' ' LEU . . . . . 0.651 ' HB2' ' HA ' ' J' ' 12' ' ' VAL . 4.5 mt -54.91 -61.49 2.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.891 -0.595 . . . . 0.0 112.109 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 16' ' ' TYR . . . . . 0.925 ' HB2' ' HG3' ' L' ' 28' ' ' PRO . 3.8 p90 -72.26 -20.33 61.55 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.17 -0.612 . . . . 0.0 111.092 -178.51 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 9.4 tt -66.4 -44.95 81.61 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 178.733 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 70.1 t -74.45 -41.26 49.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.15 179.039 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 19' ' ' CYS . . . . . . . . . . . . . 2.0 t -63.57 -33.31 75.32 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.157 -179.613 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.47 -154.68 23.57 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.212 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 21' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -81.04 60.99 4.44 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.087 0.47 . . . . 0.0 110.865 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 22' ' ' ARG . . . . . . . . . . . . . 68.3 mtt180 -122.02 -102.53 0.4 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.809 0.814 . . . . 0.0 110.343 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 23' ' ' GLY . . . . . 0.7 ' HA2' ' HD2' ' L' ' 28' ' ' PRO . . . 167.4 170.38 32.15 Favored Glycine 0 N--CA 1.44 -1.099 0 N-CA-C 109.698 -1.361 . . . . 0.0 109.698 -179.494 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 24' ' ' PHE . . . . . 0.783 ' CE1' ' HB3' ' J' ' 16' ' ' TYR . 11.0 p90 -159.36 160.37 34.93 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 117.394 0.597 . . . . 0.0 111.437 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 25' ' ' PHE . . . . . 0.542 ' HD1' ' HD1' ' L' ' 25' ' ' PHE . 14.6 m-85 -103.44 104.51 14.6 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.03 -0.986 . . . . 0.0 108.893 179.585 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 26' ' ' TYR . . . . . 0.461 ' OH ' ' HA3' ' J' ' 8' ' ' GLY . 76.8 t80 -101.39 133.08 46.55 Favored 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 120.377 -0.529 . . . . 0.0 110.562 -179.588 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 27' ' ' THR . . . . . 0.403 ' C ' ' H ' ' J' ' 29' ' ' LYS . 4.8 p -124.52 96.23 41.59 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.134 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 28' ' ' PRO . . . . . 0.933 ' HG3' ' HB2' ' L' ' 16' ' ' TYR . 88.5 Cg_endo -77.2 34.96 0.47 Allowed 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 123.062 2.508 . . . . 0.0 111.708 179.305 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 29' ' ' LYS . . . . . 0.403 ' H ' ' C ' ' J' ' 27' ' ' THR . 86.7 tttt -105.54 134.0 49.38 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.419 -0.809 . . . . 0.0 109.509 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 30' ' ' THR . . . . . 0.446 ' OG1' HG21 ' I' ' 3' ' ' VAL . 25.8 m . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.725 -0.655 . . . . 0.0 109.865 -179.542 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 1' ' ' GLY . . . . . 0.483 ' O ' ' HG2' ' K' ' 5' ' ' GLN . . . . . . . . 0 N--CA 1.486 1.971 0 N-CA-C 112.209 -0.356 . . . . 0.0 112.209 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 2' ' ' ILE . . . . . 0.45 ' CD1' HD11 ' L' ' 15' ' ' LEU . 10.3 tt -64.74 -42.29 94.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.842 0.354 . . . . 0.0 111.484 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' K' K ' 3' ' ' VAL . . . . . . . . . . . . . 33.5 m -69.68 -18.92 22.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 121.323 0.582 . . . . 0.0 111.193 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 4' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -81.68 -31.32 32.29 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.203 -0.908 . . . . 0.0 112.303 -179.005 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 5' ' ' GLN . . . . . 0.593 ' HG3' ' SG ' ' K' ' 11' ' ' CYS . 4.9 pt20 -112.35 -30.82 7.03 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 -178.02 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' K' K ' 6' ' ' CYS . . . . . . . . . . . . . 60.3 m -90.52 -35.81 14.86 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -178.033 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 7' ' ' CYS . . . . . 0.733 ' HB2' HD11 ' L' ' 11' ' ' LEU . 44.8 t -83.41 -6.79 59.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.961 0.41 . . . . 0.0 111.213 -179.232 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' K' K ' 8' ' ' THR . . . . . . . . . . . . . 1.2 p -87.53 -56.06 3.52 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.535 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 9' ' ' SER . . . . . 0.432 ' O ' ' HB ' ' K' ' 10' ' ' ILE . 22.7 p -145.36 24.25 1.43 Allowed 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -179.077 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' K' K ' 10' ' ' ILE . . . . . 0.491 HD13 ' HB3' ' H' ' 3' ' ' ASN . 2.0 mp 71.6 137.42 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 CA-C-O 121.618 0.723 . . . . 0.0 111.673 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' K' K ' 11' ' ' CYS . . . . . 0.593 ' SG ' ' HG3' ' K' ' 5' ' ' GLN . 92.5 m -93.34 156.26 16.9 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.617 179.211 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' K' K ' 12' ' ' SER . . . . . . . . . . . . . 8.3 m -72.32 164.45 26.28 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 178.652 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 13' ' ' LEU . . . . . . . . . . . . . 22.6 tp -52.77 -50.88 62.65 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.262 0.554 . . . . 0.0 111.583 -179.506 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -63.2 -29.2 70.59 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.291 -0.868 . . . . 0.0 112.086 -178.697 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -71.72 -32.04 67.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.712 0.292 . . . . 0.0 111.135 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 16' ' ' LEU . . . . . . . . . . . . . 94.2 mt -70.31 -29.43 66.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.907 0.384 . . . . 0.0 110.41 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 17' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -66.58 -16.98 64.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.216 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 18' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -68.65 -19.16 64.39 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.482 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 19' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 -101.76 6.6 41.81 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.495 -178.289 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 20' ' ' CYS . . . . . . . . . . . . . 2.1 m -73.3 153.05 40.71 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 21' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 . . . . . 0 C--O 1.252 1.189 0 CA-C-N 115.1 -0.955 . . . . 0.0 109.184 178.83 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' L' L ' 1' ' ' PHE . . . . . . . . . . . . . 9.3 t80 . . . . . 0 N--CA 1.482 1.16 0 N-CA-C 110.132 -0.322 . . . . 0.0 110.132 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' L' L ' 2' ' ' VAL . . . . . . . . . . . . . 34.0 m 41.59 -146.35 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 C-N-CA 124.284 1.034 . . . . 0.0 113.274 -179.679 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 3' ' ' ASN . . . . . 0.514 ' HB3' HD13 ' C' ' 10' ' ' ILE . 24.4 t-20 -157.32 175.64 13.74 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 -178.043 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' L' L ' 4' ' ' GLN . . . . . 0.793 ' HA ' ' HB3' ' L' ' 7' ' ' CYS . 0.1 OUTLIER -50.38 -28.44 8.08 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 123.603 0.761 . . . . 0.0 110.609 178.713 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' L' L ' 5' ' ' HIS . . . . . . . . . . . . . 57.9 t60 -59.58 -14.8 14.73 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.392 179.095 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 6' ' ' LEU . . . . . 0.46 HD23 ' HA ' ' L' ' 6' ' ' LEU . 14.6 mt -124.6 -14.12 6.88 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.403 0.62 . . . . 0.0 109.919 178.263 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' L' L ' 7' ' ' CYS . . . . . 0.793 ' HB3' ' HA ' ' L' ' 4' ' ' GLN . 1.7 t -85.01 -42.65 14.67 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.429 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' L' L ' 8' ' ' GLY . . . . . 0.469 ' HA3' ' OH ' ' L' ' 26' ' ' TYR . . . -63.96 -25.85 69.69 Favored Glycine 0 N--CA 1.452 -0.294 0 CA-C-N 116.033 -0.53 . . . . 0.0 114.131 -178.837 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' L' L ' 9' ' ' SER . . . . . 0.689 ' HB2' ' HG2' ' J' ' 13' ' ' GLU . 73.8 p -64.11 -17.99 63.98 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.945 0.402 . . . . 0.0 111.45 -179.224 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' L' L ' 10' ' ' HIS . . . . . 0.719 ' HA ' ' HG3' ' L' ' 13' ' ' GLU . 93.1 m-70 -105.19 -19.71 13.73 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.067 0.46 . . . . 0.0 110.38 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' L' L ' 11' ' ' LEU . . . . . 0.733 HD11 ' HB2' ' K' ' 7' ' ' CYS . 58.0 mt -68.6 -39.22 81.0 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 177.517 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' L' L ' 12' ' ' VAL . . . . . 0.631 ' HA ' ' HB2' ' L' ' 15' ' ' LEU . 15.3 m -68.68 -28.04 38.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 114.662 -1.154 . . . . 0.0 112.175 -179.718 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' L' L ' 13' ' ' GLU . . . . . 0.719 ' HG3' ' HA ' ' L' ' 10' ' ' HIS . 24.0 mt-10 -59.01 -49.32 78.34 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.339 0.59 . . . . 0.0 109.517 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' L' L ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.55 -29.86 62.7 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.619 179.314 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 15' ' ' LEU . . . . . 0.631 ' HB2' ' HA ' ' L' ' 12' ' ' VAL . 4.5 mt -55.42 -61.52 2.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.824 -0.626 . . . . 0.0 112.094 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' L' L ' 16' ' ' TYR . . . . . 0.933 ' HB2' ' HG3' ' J' ' 28' ' ' PRO . 3.8 p90 -72.11 -20.01 61.7 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 120.107 -0.637 . . . . 0.0 111.197 -178.587 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 9.4 tt -66.37 -45.82 78.82 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 178.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 68.9 t -73.72 -41.21 54.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.265 178.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 19' ' ' CYS . . . . . . . . . . . . . 2.3 t -64.23 -31.46 72.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.202 -179.467 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.05 -153.37 23.58 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.502 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 21' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -82.33 59.32 4.48 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.173 0.511 . . . . 0.0 111.091 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 22' ' ' ARG . . . . . . . . . . . . . 66.2 mtt180 -120.6 -103.66 0.4 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.719 0.771 . . . . 0.0 110.435 179.368 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 23' ' ' GLY . . . . . 0.721 ' HA2' ' HD2' ' J' ' 28' ' ' PRO . . . 169.08 170.99 34.35 Favored Glycine 0 N--CA 1.44 -1.067 0 N-CA-C 109.682 -1.367 . . . . 0.0 109.682 -179.642 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' L' L ' 24' ' ' PHE . . . . . 0.779 ' CE1' ' HB3' ' L' ' 16' ' ' TYR . 10.5 p90 -159.68 159.74 33.33 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 117.497 0.649 . . . . 0.0 111.361 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' L' L ' 25' ' ' PHE . . . . . 0.542 ' HD1' ' HD1' ' J' ' 25' ' ' PHE . 15.5 m-85 -103.1 104.79 14.99 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.11 -0.95 . . . . 0.0 108.828 179.541 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' L' L ' 26' ' ' TYR . . . . . 0.469 ' OH ' ' HA3' ' L' ' 8' ' ' GLY . 78.1 t80 -102.05 131.08 48.72 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 120.238 -0.585 . . . . 0.0 110.921 -179.362 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' L' L ' 27' ' ' THR . . . . . . . . . . . . . 8.0 p -122.18 96.91 46.01 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.255 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 28' ' ' PRO . . . . . 0.925 ' HG3' ' HB2' ' J' ' 16' ' ' TYR . 98.6 Cg_endo -77.2 33.95 0.45 Allowed 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 123.136 2.557 . . . . 0.0 111.543 179.035 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' L' L ' 29' ' ' LYS . . . . . . . . . . . . . 86.8 tttt . . . . . 0 C--N 1.318 -0.771 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.27 179.9 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' GLY . . . . . 0.711 ' O ' ' HB3' ' A' ' 5' ' ' GLN . . . . . . . . 0 N--CA 1.476 1.364 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.402 HD11 ' CD1' ' B' ' 15' ' ' LEU . 13.2 tt -91.67 -10.96 9.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 121.231 0.539 . . . . 0.0 111.406 -178.571 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.407 ' CG2' ' HA ' ' B' ' 28' ' ' PRO . 20.0 t -96.87 -86.06 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -179.211 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -60.21 -41.13 92.36 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 -177.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.711 ' HB3' ' O ' ' A' ' 1' ' ' GLY . 23.1 tt0 -62.11 -30.56 71.1 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.663 0.268 . . . . 0.0 110.89 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 90.6 m -105.64 10.28 32.97 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -179.292 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 17.4 t -133.4 39.75 3.21 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.573 0.702 . . . . 0.0 110.497 179.209 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -125.26 -46.12 1.8 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.615 178.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.458 ' O ' ' HB ' ' A' ' 10' ' ' ILE . 15.3 t -150.06 19.87 0.87 Allowed 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 179.462 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.458 ' HB ' ' O ' ' A' ' 9' ' ' SER . 2.8 mp 74.97 125.31 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.225 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.1 m -75.98 162.61 27.93 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.48 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 41.4 p -89.7 162.76 15.41 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.392 178.214 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.948 HD11 HD11 ' G' ' 13' ' ' LEU . 3.0 tt -57.74 -41.79 82.56 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.968 -179.33 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -64.38 -34.96 79.37 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.07 -0.514 . . . . 0.0 112.24 -178.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -69.37 -39.74 77.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.043 0.449 . . . . 0.0 110.876 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.4 ' HB3' HD23 ' B' ' 15' ' ' LEU . 86.5 mt -73.85 -23.42 59.61 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.561 -179.325 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -59.34 -33.05 70.67 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -178.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 21.3 p30 -91.69 12.53 20.9 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.878 0.371 . . . . 0.0 111.898 -179.165 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 15.8 m-30 -107.8 17.6 22.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.353 0.597 . . . . 0.0 110.434 179.335 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 59.1 m -93.22 175.21 6.86 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.59 179.597 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.559 ' HB2' ' HB3' ' B' ' 22' ' ' ARG . 4.2 m120 . . . . . 0 C--O 1.242 0.673 0 CA-C-O 118.525 -0.75 . . . . 0.0 110.03 178.721 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 36.5 t80 . . . . . 0 N--CA 1.48 1.034 0 CA-C-O 120.729 0.299 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 12.3 p -83.73 62.56 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 CA-C-O 122.518 1.151 . . . . 0.0 111.411 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -152.78 -50.46 0.1 Allowed 'General case' 0 C--O 1.216 -0.703 0 CA-C-N 115.047 -0.979 . . . . 0.0 108.656 178.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -49.96 -52.17 35.73 Favored 'General case' 0 N--CA 1.464 0.273 0 O-C-N 123.811 0.694 . . . . 0.0 111.827 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 5' ' ' HIS . . . . . 0.431 ' CE1' HD22 ' D' ' 17' ' ' LEU . 67.4 t60 -59.7 -39.17 83.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.786 0.327 . . . . 0.0 111.043 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 mt -78.95 -23.49 44.54 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.588 0.709 . . . . 0.0 110.1 -179.008 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 41.3 t -75.65 -47.05 28.02 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.454 -1.248 . . . . 0.0 110.511 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' GLY . . . . . 0.521 ' HA2' ' HG ' ' B' ' 11' ' ' LEU . . . -56.97 -32.62 62.67 Favored Glycine 0 N--CA 1.451 -0.317 0 CA-C-N 115.785 -0.643 . . . . 0.0 113.725 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 9' ' ' SER . . . . . 0.497 ' HB2' ' HE1' ' J' ' 10' ' ' HIS . 0.7 OUTLIER -65.89 -1.68 3.18 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.849 0.356 . . . . 0.0 111.772 -179.703 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 10' ' ' HIS . . . . . 0.496 ' HE1' ' HB2' ' F' ' 9' ' ' SER . 92.0 m-70 -109.92 -35.86 6.04 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 178.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.521 ' HG ' ' HA2' ' B' ' 8' ' ' GLY . 0.7 OUTLIER -66.5 -28.51 68.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.715 179.546 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.68 ' O ' ' HB2' ' B' ' 16' ' ' TYR . 16.3 m -56.24 -48.65 79.16 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.605 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.969 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -56.5 -51.08 69.84 Favored 'General case' 0 N--CA 1.464 0.231 0 O-C-N 123.219 0.324 . . . . 0.0 111.086 179.507 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.17 -52.03 54.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.247 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.402 ' CD1' HD11 ' A' ' 2' ' ' ILE . 76.2 mt -69.24 -33.71 73.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.331 0.586 . . . . 0.0 110.722 179.451 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 16' ' ' TYR . . . . . 0.68 ' HB2' ' O ' ' B' ' 12' ' ' VAL . 0.6 OUTLIER -67.05 -20.56 65.85 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.177 -179.188 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.476 HD13 ' HA ' ' B' ' 17' ' ' LEU . 0.5 OUTLIER -89.05 -47.96 7.75 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 178.559 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 62.0 t -69.12 -46.88 77.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.898 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 1.6 m -101.26 32.49 3.25 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.367 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.92 -38.34 93.97 Favored Glycine 0 N--CA 1.451 -0.362 0 CA-C-N 116.148 -0.478 . . . . 0.0 114.285 -178.736 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -90.21 6.72 41.54 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 117.242 0.521 . . . . 0.0 112.122 -178.592 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' ARG . . . . . 0.559 ' HB3' ' HB2' ' A' ' 21' ' ' ASN . 93.8 mtt180 -125.84 -79.18 0.6 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.745 0.783 . . . . 0.0 110.147 178.776 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 23' ' ' GLY . . . . . 0.424 ' HA3' ' HA ' ' D' ' 27' ' ' THR . . . 148.32 175.78 21.22 Favored Glycine 0 N--CA 1.439 -1.16 0 CA-C-N 114.373 -1.285 . . . . 0.0 109.983 -179.115 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 20.3 p90 -140.4 143.05 35.45 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.341 0.591 . . . . 0.0 110.876 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' PHE . . . . . 0.404 ' H ' ' HD1' ' B' ' 25' ' ' PHE . 2.3 p90 -97.29 106.0 18.25 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 179.201 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.458 ' CE2' ' HG3' ' B' ' 28' ' ' PRO . 38.3 t80 -97.65 96.71 8.46 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.973 -178.419 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 27' ' ' THR . . . . . 0.428 ' HA ' ' HA3' ' D' ' 23' ' ' GLY . 38.5 m -115.54 97.57 48.93 Favored Pre-proline 0 C--N 1.318 -0.782 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.23 179.617 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 28' ' ' PRO . . . . . 0.458 ' HG3' ' CE2' ' B' ' 26' ' ' TYR . 16.7 Cg_exo -67.52 -20.47 47.58 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 123.07 2.513 . . . . 0.0 111.816 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.22 112.67 5.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.396 179.733 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 1.8 p . . . . . 0 C--O 1.247 0.97 0 CA-C-O 119.207 -0.425 . . . . 0.0 110.418 179.725 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 1' ' ' GLY . . . . . 0.698 ' O ' ' HB3' ' C' ' 5' ' ' GLN . . . . . . . . 0 N--CA 1.478 1.486 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 2' ' ' ILE . . . . . 0.415 HD11 ' CD1' ' D' ' 15' ' ' LEU . 13.6 tt -90.85 -10.63 10.0 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-O 121.412 0.625 . . . . 0.0 111.447 -178.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 3' ' ' VAL . . . . . 0.407 ' CG2' ' HA ' ' D' ' 28' ' ' PRO . 19.1 t -96.88 -86.49 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -178.819 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -60.4 -40.66 91.76 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.678 0.621 . . . . 0.0 112.678 -178.167 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 5' ' ' GLN . . . . . 0.698 ' HB3' ' O ' ' C' ' 1' ' ' GLY . 21.3 tt0 -62.23 -31.38 71.92 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 121.159 -0.216 . . . . 0.0 110.788 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 91.5 m -104.83 9.67 34.74 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -179.225 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 7' ' ' CYS . . . . . . . . . . . . . 16.8 t -132.59 40.48 3.27 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.58 0.705 . . . . 0.0 110.469 179.168 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -125.75 -47.21 1.69 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.281 178.736 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 9' ' ' SER . . . . . 0.429 ' O ' ' HB ' ' C' ' 10' ' ' ILE . 18.6 t -149.16 21.48 0.96 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.315 179.322 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 10' ' ' ILE . . . . . 0.429 ' HB ' ' O ' ' C' ' 9' ' ' SER . 2.9 mp 73.64 125.23 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.36 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 2.8 m -76.02 164.17 26.42 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.482 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 35.9 p -91.13 162.66 14.58 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 178.322 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 13' ' ' LEU . . . . . 0.973 HD11 HD11 ' I' ' 13' ' ' LEU . 3.0 tt -57.78 -41.78 82.78 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.044 0.45 . . . . 0.0 111.024 -179.205 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -63.97 -35.66 81.42 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.931 -0.577 . . . . 0.0 112.257 -179.037 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -68.88 -39.64 79.67 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.018 0.437 . . . . 0.0 110.884 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 16' ' ' LEU . . . . . 0.407 ' HB3' HD23 ' D' ' 15' ' ' LEU . 84.6 mt -73.95 -22.73 59.54 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.562 -179.501 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -60.55 -31.83 70.92 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -178.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 22.0 p30 -93.08 14.66 17.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.015 0.436 . . . . 0.0 111.467 -179.206 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 15.8 m-30 -110.33 19.38 18.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.303 0.573 . . . . 0.0 110.369 179.243 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 58.3 m -94.96 175.67 6.55 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.514 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 21' ' ' ASN . . . . . 0.575 ' HB2' ' HB3' ' D' ' 22' ' ' ARG . 4.3 m120 . . . . . 0 C--O 1.247 0.929 0 CA-C-O 118.29 -0.862 . . . . 0.0 110.185 178.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 35.8 t80 . . . . . 0 N--CA 1.484 1.232 0 CA-C-O 120.735 0.302 . . . . 0.0 111.306 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' D' D ' 2' ' ' VAL . . . . . 0.411 HG13 ' O ' ' D' ' 2' ' ' VAL . 10.7 p -83.16 63.8 0.37 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 CA-C-O 122.492 1.139 . . . . 0.0 111.077 179.494 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 3' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -154.59 -50.66 0.09 Allowed 'General case' 0 C--O 1.214 -0.783 0 CA-C-N 115.097 -0.956 . . . . 0.0 108.494 178.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -49.76 -52.56 30.91 Favored 'General case' 0 N--CA 1.465 0.3 0 O-C-N 123.751 0.657 . . . . 0.0 111.658 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 5' ' ' HIS . . . . . 0.411 ' CE1' HD22 ' B' ' 17' ' ' LEU . 63.8 t60 -58.91 -40.25 83.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.793 0.33 . . . . 0.0 111.077 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 mt -78.56 -21.46 48.68 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.455 0.645 . . . . 0.0 110.231 -179.286 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 7' ' ' CYS . . . . . . . . . . . . . 39.0 t -78.0 -46.75 20.18 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.72 -1.127 . . . . 0.0 110.291 -179.358 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 8' ' ' GLY . . . . . 0.511 ' HA2' ' HG ' ' D' ' 11' ' ' LEU . . . -57.3 -32.12 63.38 Favored Glycine 0 N--CA 1.45 -0.421 0 CA-C-N 115.758 -0.655 . . . . 0.0 113.669 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 9' ' ' SER . . . . . 0.53 ' HB2' ' HE1' ' H' ' 10' ' ' HIS . 0.7 OUTLIER -66.63 0.3 2.39 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.009 0.433 . . . . 0.0 111.86 -179.777 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 10' ' ' HIS . . . . . 0.518 ' HE1' ' HB2' ' L' ' 9' ' ' SER . 91.5 m-70 -111.51 -36.34 5.54 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 178.644 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 11' ' ' LEU . . . . . 0.511 ' HG ' ' HA2' ' D' ' 8' ' ' GLY . 0.7 OUTLIER -66.45 -27.92 68.19 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.71 179.465 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 12' ' ' VAL . . . . . 0.667 ' O ' ' HB2' ' D' ' 16' ' ' TYR . 16.0 m -56.7 -48.58 80.59 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.603 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.918 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -56.36 -51.33 68.7 Favored 'General case' 0 N--CA 1.464 0.235 0 O-C-N 123.247 0.342 . . . . 0.0 111.154 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.46 -51.3 60.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.412 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 15' ' ' LEU . . . . . 0.415 ' CD1' HD11 ' C' ' 2' ' ' ILE . 76.7 mt -69.68 -33.35 72.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.32 0.581 . . . . 0.0 110.669 179.292 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 16' ' ' TYR . . . . . 0.667 ' HB2' ' O ' ' D' ' 12' ' ' VAL . 0.6 OUTLIER -67.65 -20.02 65.27 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.007 -179.104 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 17' ' ' LEU . . . . . 0.476 ' HA ' HD13 ' D' ' 17' ' ' LEU . 0.5 OUTLIER -89.28 -48.53 7.3 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.027 0.442 . . . . 0.0 109.865 178.565 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 60.4 t -68.47 -47.01 79.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.996 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 19' ' ' CYS . . . . . . . . . . . . . 1.6 m -101.55 32.94 3.13 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.528 -179.526 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.27 -37.9 93.73 Favored Glycine 0 CA--C 1.517 0.191 0 CA-C-N 115.997 -0.547 . . . . 0.0 114.214 -178.756 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -90.9 7.47 39.91 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 117.049 0.424 . . . . 0.0 112.12 -178.793 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 22' ' ' ARG . . . . . 0.575 ' HB3' ' HB2' ' C' ' 21' ' ' ASN . 94.2 mtt180 -126.94 -77.51 0.58 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.862 0.839 . . . . 0.0 110.373 178.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 23' ' ' GLY . . . . . 0.428 ' HA3' ' HA ' ' B' ' 27' ' ' THR . . . 146.14 175.81 19.48 Favored Glycine 0 N--CA 1.438 -1.172 0 CA-C-N 114.398 -1.274 . . . . 0.0 110.18 -178.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 24' ' ' PHE . . . . . . . . . . . . . 18.8 p90 -140.99 143.05 34.24 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.241 0.544 . . . . 0.0 110.928 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 25' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -97.25 105.46 17.61 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 26' ' ' TYR . . . . . 0.43 ' CE2' ' HG3' ' D' ' 28' ' ' PRO . 37.8 t80 -97.15 96.86 8.73 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.543 -0.463 . . . . 0.0 111.135 -178.496 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 27' ' ' THR . . . . . 0.424 ' HA ' ' HA3' ' B' ' 23' ' ' GLY . 39.0 m -115.74 97.7 49.46 Favored Pre-proline 0 C--N 1.32 -0.692 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.303 179.452 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 28' ' ' PRO . . . . . 0.43 ' HG3' ' CE2' ' D' ' 26' ' ' TYR . 16.5 Cg_exo -67.32 -21.03 48.17 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 123.2 2.6 . . . . 0.0 111.766 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 29' ' ' LYS . . . . . 0.423 ' HZ2' ' HB3' ' D' ' 29' ' ' LYS . 0.0 OUTLIER -67.87 113.42 5.59 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.454 179.413 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 C--O 1.249 1.068 0 CA-C-O 119.075 -0.488 . . . . 0.0 110.369 -179.914 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' E' E ' 1' ' ' GLY . . . . . 0.71 ' O ' ' HB3' ' E' ' 5' ' ' GLN . . . . . . . . 0 N--CA 1.482 1.752 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 2' ' ' ILE . . . . . 0.414 HD11 ' CD1' ' F' ' 15' ' ' LEU . 14.6 tt -91.25 -14.41 8.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-O 121.097 0.475 . . . . 0.0 110.993 -178.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 3' ' ' VAL . . . . . 0.416 ' CG2' ' HA ' ' F' ' 28' ' ' PRO . 19.4 t -93.6 -87.41 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 112.419 0.525 . . . . 0.0 112.419 -179.311 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 4' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -59.44 -41.15 88.95 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -177.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 5' ' ' GLN . . . . . 0.71 ' HB3' ' O ' ' E' ' 1' ' ' GLY . 22.5 tt0 -61.21 -32.15 71.92 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.665 0.269 . . . . 0.0 110.866 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 6' ' ' CYS . . . . . . . . . . . . . 86.1 m -104.28 10.12 35.7 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -179.372 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 7' ' ' CYS . . . . . . . . . . . . . 19.4 t -132.92 39.53 3.3 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.492 0.663 . . . . 0.0 110.269 179.294 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -124.55 -47.89 1.83 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.197 178.659 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 9' ' ' SER . . . . . 0.446 ' O ' ' HB ' ' E' ' 10' ' ' ILE . 20.6 t -148.32 21.36 1.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.868 0.366 . . . . 0.0 110.26 179.174 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 10' ' ' ILE . . . . . 0.446 ' HB ' ' O ' ' E' ' 9' ' ' SER . 2.8 mp 74.4 123.89 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.438 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 11' ' ' CYS . . . . . . . . . . . . . 3.3 m -74.48 163.57 27.6 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.422 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 12' ' ' SER . . . . . . . . . . . . . 33.1 p -90.93 162.05 14.92 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 178.217 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 13' ' ' LEU . . . . . 0.936 HD11 HD11 ' K' ' 13' ' ' LEU . 3.0 tt -56.71 -42.68 79.58 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.202 -179.206 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -62.97 -36.9 85.04 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.936 -179.23 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -67.35 -40.22 85.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.968 0.413 . . . . 0.0 111.14 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 16' ' ' LEU . . . . . 0.408 ' HB3' HD23 ' F' ' 15' ' ' LEU . 84.3 mt -74.02 -21.89 59.79 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.577 -179.378 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 17' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -60.65 -33.27 72.56 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 112.127 0.418 . . . . 0.0 112.127 -178.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 18' ' ' ASN . . . . . . . . . . . . . 21.1 p30 -91.55 13.07 18.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.87 0.367 . . . . 0.0 111.678 -179.267 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 19' ' ' TYR . . . . . . . . . . . . . 16.2 m-30 -108.08 18.24 21.4 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.318 0.58 . . . . 0.0 110.349 179.22 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 20' ' ' CYS . . . . . . . . . . . . . 58.3 m -93.84 175.81 6.58 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.589 179.613 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 21' ' ' ASN . . . . . 0.553 ' HB2' ' HB3' ' F' ' 22' ' ' ARG . 4.0 m120 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.445 -0.788 . . . . 0.0 110.291 179.013 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 1' ' ' PHE . . . . . . . . . . . . . 36.6 t80 . . . . . 0 N--CA 1.481 1.083 0 CA-C-O 120.883 0.373 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' F' F ' 2' ' ' VAL . . . . . . . . . . . . . 11.2 p -82.21 63.35 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 CA-C-O 122.579 1.18 . . . . 0.0 111.204 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 3' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -153.96 -50.73 0.09 Allowed 'General case' 0 C--O 1.214 -0.807 0 CA-C-N 115.069 -0.968 . . . . 0.0 108.463 178.768 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 4' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -49.51 -52.4 29.79 Favored 'General case' 0 N--CA 1.462 0.156 0 O-C-N 123.679 0.612 . . . . 0.0 111.836 179.406 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 5' ' ' HIS . . . . . 0.419 ' CE1' HD22 ' H' ' 17' ' ' LEU . 64.8 t60 -59.07 -40.06 84.03 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.794 0.331 . . . . 0.0 111.093 -179.686 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 6' ' ' LEU . . . . . . . . . . . . . 4.1 mt -78.97 -22.06 46.18 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.551 0.691 . . . . 0.0 110.068 -178.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 7' ' ' CYS . . . . . . . . . . . . . 39.9 t -77.21 -46.78 22.12 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.643 -1.162 . . . . 0.0 110.207 -179.495 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 8' ' ' GLY . . . . . 0.515 ' HA2' ' HG ' ' F' ' 11' ' ' LEU . . . -57.19 -32.29 63.16 Favored Glycine 0 N--CA 1.452 -0.26 0 CA-C-N 115.778 -0.647 . . . . 0.0 113.776 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 9' ' ' SER . . . . . 0.496 ' HB2' ' HE1' ' B' ' 10' ' ' HIS . 0.7 OUTLIER -66.1 -1.64 3.38 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.937 0.399 . . . . 0.0 111.681 -179.6 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' F' F ' 10' ' ' HIS . . . . . 0.497 ' HE1' ' HB2' ' J' ' 9' ' ' SER . 91.8 m-70 -109.66 -36.15 6.02 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 178.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 11' ' ' LEU . . . . . 0.515 ' HG ' ' HA2' ' F' ' 8' ' ' GLY . 0.6 OUTLIER -66.52 -27.88 68.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.769 179.561 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' F' F ' 12' ' ' VAL . . . . . 0.667 ' O ' ' HB2' ' F' ' 16' ' ' TYR . 16.3 m -56.73 -48.73 80.45 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.684 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.803 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 13' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -56.22 -51.49 67.88 Favored 'General case' 0 N--CA 1.464 0.227 0 O-C-N 123.257 0.348 . . . . 0.0 111.049 179.502 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.3 -51.66 57.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.261 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 15' ' ' LEU . . . . . 0.414 ' CD1' HD11 ' E' ' 2' ' ' ILE . 77.4 mt -69.32 -33.33 72.98 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.384 0.612 . . . . 0.0 110.789 179.283 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 16' ' ' TYR . . . . . 0.667 ' HB2' ' O ' ' F' ' 12' ' ' VAL . 0.6 OUTLIER -67.37 -20.65 65.59 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.99 -179.115 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' F' F ' 17' ' ' LEU . . . . . 0.483 ' HA ' HD13 ' F' ' 17' ' ' LEU . 0.5 OUTLIER -89.18 -46.96 8.41 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.144 0.497 . . . . 0.0 110.135 178.747 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 60.6 t -70.54 -43.84 77.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.132 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 m -104.66 33.24 3.66 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.117 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.96 -35.05 90.82 Favored Glycine 0 CA--C 1.516 0.099 0 N-CA-C 114.55 0.58 . . . . 0.0 114.55 -178.532 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 21' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -93.21 7.97 42.12 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 117.104 0.452 . . . . 0.0 112.081 -179.098 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 22' ' ' ARG . . . . . 0.553 ' HB3' ' HB2' ' E' ' 21' ' ' ASN . 94.3 mtt180 -127.57 -78.99 0.58 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.779 0.8 . . . . 0.0 109.959 178.779 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 23' ' ' GLY . . . . . . . . . . . . . . . 148.26 175.83 21.22 Favored Glycine 0 N--CA 1.441 -1.014 0 CA-C-N 114.368 -1.287 . . . . 0.0 110.215 -179.279 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 24' ' ' PHE . . . . . . . . . . . . . 18.7 p90 -140.76 142.89 34.69 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 121.222 0.535 . . . . 0.0 110.737 179.639 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 25' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -97.2 106.77 19.16 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 179.207 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 26' ' ' TYR . . . . . 0.448 ' CE2' ' HG3' ' F' ' 28' ' ' PRO . 38.8 t80 -98.64 96.36 7.89 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.932 -178.414 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 27' ' ' THR . . . . . 0.417 ' HA ' ' HA3' ' H' ' 23' ' ' GLY . 38.9 m -115.28 97.92 49.38 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.444 179.413 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 28' ' ' PRO . . . . . 0.448 ' HG3' ' CE2' ' F' ' 26' ' ' TYR . 16.7 Cg_exo -67.72 -20.28 46.53 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 123.244 2.629 . . . . 0.0 111.727 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.38 112.97 5.56 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.336 179.315 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 30' ' ' THR . . . . . . . . . . . . . 1.1 p . . . . . 0 C--O 1.248 0.986 0 CA-C-O 118.994 -0.527 . . . . 0.0 109.746 179.563 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' G' G ' 1' ' ' GLY . . . . . 0.682 ' O ' ' HB3' ' G' ' 5' ' ' GLN . . . . . . . . 0 N--CA 1.481 1.635 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 2' ' ' ILE . . . . . 0.414 HD11 HD11 ' H' ' 15' ' ' LEU . 13.0 tt -92.92 -11.5 9.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-O 121.515 0.674 . . . . 0.0 111.164 -178.767 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' G' G ' 3' ' ' VAL . . . . . 0.401 ' CG2' ' HA ' ' H' ' 28' ' ' PRO . 18.8 t -95.95 -87.71 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.138 -0.483 . . . . 0.0 112.028 -179.195 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' G' G ' 4' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -59.54 -40.97 88.94 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -178.063 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 5' ' ' GLN . . . . . 0.682 ' HB3' ' O ' ' G' ' 1' ' ' GLY . 20.7 tt0 -61.16 -31.7 71.43 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 121.107 -0.237 . . . . 0.0 110.674 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' G' G ' 6' ' ' CYS . . . . . . . . . . . . . 88.0 m -104.82 9.97 34.66 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -179.323 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 7' ' ' CYS . . . . . . . . . . . . . 17.1 t -132.62 39.24 3.37 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.524 0.678 . . . . 0.0 110.459 179.265 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -124.88 -45.96 1.86 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.462 178.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' G' G ' 9' ' ' SER . . . . . 0.423 ' O ' ' HB ' ' G' ' 10' ' ' ILE . 19.0 t -150.38 21.6 0.83 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.979 0.419 . . . . 0.0 110.259 179.387 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' G' G ' 10' ' ' ILE . . . . . 0.423 ' HB ' ' O ' ' G' ' 9' ' ' SER . 2.8 mp 73.54 125.51 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.53 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' G' G ' 11' ' ' CYS . . . . . . . . . . . . . 3.3 m -76.57 162.69 27.57 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.481 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 12' ' ' SER . . . . . . . . . . . . . 43.7 p -90.01 161.89 15.64 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.471 178.116 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 13' ' ' LEU . . . . . 0.948 HD11 HD11 ' A' ' 13' ' ' LEU . 3.0 tt -57.07 -41.15 78.28 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.15 -179.027 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -64.84 -35.29 80.64 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.074 -0.512 . . . . 0.0 112.088 -179.063 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -68.81 -40.45 79.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.989 0.423 . . . . 0.0 110.78 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 16' ' ' LEU . . . . . 0.4 ' HB3' HD23 ' H' ' 15' ' ' LEU . 86.6 mt -73.24 -22.68 60.37 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.859 -179.381 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' G' G ' 17' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -60.64 -32.71 71.86 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -178.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 18' ' ' ASN . . . . . . . . . . . . . 20.5 p30 -92.36 15.15 14.52 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.938 0.399 . . . . 0.0 111.573 -179.28 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 19' ' ' TYR . . . . . . . . . . . . . 15.4 m-30 -110.24 18.38 19.97 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.336 0.588 . . . . 0.0 110.242 179.183 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 20' ' ' CYS . . . . . . . . . . . . . 57.8 m -94.0 175.52 6.68 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.52 179.476 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 21' ' ' ASN . . . . . 0.525 ' HB2' ' HB3' ' H' ' 22' ' ' ARG . 4.7 m120 . . . . . 0 C--O 1.245 0.85 0 CA-C-O 118.75 -0.643 . . . . 0.0 109.676 178.777 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 1' ' ' PHE . . . . . . . . . . . . . 35.3 t80 . . . . . 0 N--CA 1.483 1.177 0 CA-C-O 120.766 0.317 . . . . 0.0 111.45 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' H' H ' 2' ' ' VAL . . . . . 0.414 HG13 ' O ' ' H' ' 2' ' ' VAL . 11.1 p -83.18 64.01 0.38 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 CA-C-O 122.616 1.198 . . . . 0.0 111.022 179.736 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' H' H ' 3' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -154.09 -51.15 0.09 Allowed 'General case' 0 C--O 1.215 -0.736 0 CA-C-N 114.899 -1.046 . . . . 0.0 108.466 178.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 4' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -49.34 -52.73 26.19 Favored 'General case' 0 N--CA 1.463 0.212 0 O-C-N 123.807 0.692 . . . . 0.0 111.8 179.636 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 5' ' ' HIS . . . . . 0.404 ' CE1' HD22 ' F' ' 17' ' ' LEU . 64.3 t60 -58.78 -40.48 84.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.861 0.363 . . . . 0.0 111.176 -179.576 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' H' H ' 6' ' ' LEU . . . . . . . . . . . . . 4.2 mt -77.81 -23.53 49.05 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.452 0.644 . . . . 0.0 110.215 -179.182 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 7' ' ' CYS . . . . . . . . . . . . . 42.2 t -76.02 -46.99 26.59 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 114.709 -1.132 . . . . 0.0 110.527 -179.537 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 8' ' ' GLY . . . . . 0.521 ' HA2' ' HG ' ' H' ' 11' ' ' LEU . . . -57.09 -32.36 62.87 Favored Glycine 0 N--CA 1.453 -0.206 0 CA-C-N 115.669 -0.696 . . . . 0.0 113.779 -179.734 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' H' H ' 9' ' ' SER . . . . . 0.501 ' HB2' ' HE1' ' L' ' 10' ' ' HIS . 0.7 OUTLIER -65.86 -2.25 3.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.988 0.423 . . . . 0.0 111.756 -179.667 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' H' H ' 10' ' ' HIS . . . . . 0.53 ' HE1' ' HB2' ' D' ' 9' ' ' SER . 92.2 m-70 -109.33 -35.88 6.16 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 178.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' H' H ' 11' ' ' LEU . . . . . 0.521 ' HG ' ' HA2' ' H' ' 8' ' ' GLY . 0.7 OUTLIER -66.52 -28.58 68.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.653 179.477 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' H' H ' 12' ' ' VAL . . . . . 0.665 ' O ' ' HB2' ' H' ' 16' ' ' TYR . 16.4 m -56.07 -49.17 77.19 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.633 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' H' H ' 13' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -55.82 -51.42 67.55 Favored 'General case' 0 N--CA 1.464 0.259 0 O-C-N 123.293 0.37 . . . . 0.0 111.235 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.47 -51.07 61.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.473 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 15' ' ' LEU . . . . . 0.414 HD11 HD11 ' G' ' 2' ' ' ILE . 75.8 mt -70.07 -32.88 71.18 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.44 0.638 . . . . 0.0 110.774 179.326 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' H' H ' 16' ' ' TYR . . . . . 0.665 ' HB2' ' O ' ' H' ' 12' ' ' VAL . 0.6 OUTLIER -67.8 -20.6 65.21 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.003 -179.158 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' H' H ' 17' ' ' LEU . . . . . 0.516 HD13 ' HA ' ' H' ' 17' ' ' LEU . 0.6 OUTLIER -88.99 -48.61 7.31 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 178.528 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 59.1 t -68.33 -45.22 82.91 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.326 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 19' ' ' CYS . . . . . . . . . . . . . 1.6 m -103.36 32.32 3.86 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.337 -179.532 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.89 -37.27 92.32 Favored Glycine 0 CA--C 1.519 0.29 0 CA-C-N 115.882 -0.599 . . . . 0.0 114.573 -178.576 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 21' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -92.12 7.61 41.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 117.151 0.476 . . . . 0.0 111.908 -178.77 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 22' ' ' ARG . . . . . 0.525 ' HB3' ' HB2' ' G' ' 21' ' ' ASN . 93.5 mtt180 -126.33 -79.38 0.6 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.691 0.758 . . . . 0.0 110.164 178.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' H' H ' 23' ' ' GLY . . . . . 0.417 ' HA3' ' HA ' ' F' ' 27' ' ' THR . . . 148.22 176.58 21.82 Favored Glycine 0 N--CA 1.44 -1.074 0 CA-C-N 114.467 -1.242 . . . . 0.0 110.211 -179.189 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' H' H ' 24' ' ' PHE . . . . . . . . . . . . . 19.2 p90 -141.73 142.92 33.29 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.19 0.519 . . . . 0.0 110.868 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 25' ' ' PHE . . . . . 0.402 ' H ' ' HD1' ' H' ' 25' ' ' PHE . 2.2 p90 -97.32 106.46 18.78 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 179.313 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' H' H ' 26' ' ' TYR . . . . . 0.447 ' CE2' ' HG3' ' H' ' 28' ' ' PRO . 39.0 t80 -98.17 96.24 7.96 Favored 'General case' 0 C--N 1.318 -0.773 0 C-N-CA 120.574 -0.45 . . . . 0.0 111.095 -178.475 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' H' H ' 27' ' ' THR . . . . . . . . . . . . . 37.0 m -115.01 98.08 49.43 Favored Pre-proline 0 C--N 1.319 -0.725 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.231 179.645 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 28' ' ' PRO . . . . . 0.447 ' HG3' ' CE2' ' H' ' 26' ' ' TYR . 15.7 Cg_exo -67.86 -19.98 45.99 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 123.153 2.568 . . . . 0.0 111.749 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' H' H ' 29' ' ' LYS . . . . . 0.412 ' HZ2' ' HB3' ' H' ' 29' ' ' LYS . 0.0 OUTLIER -68.92 113.05 5.98 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 179.483 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' H' H ' 30' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 C--O 1.249 1.037 0 CA-C-O 119.081 -0.485 . . . . 0.0 110.241 179.899 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' I' I ' 1' ' ' GLY . . . . . 0.717 ' O ' ' HB3' ' I' ' 5' ' ' GLN . . . . . . . . 0 N--CA 1.483 1.773 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 2' ' ' ILE . . . . . 0.408 HD11 ' CD1' ' J' ' 15' ' ' LEU . 13.5 tt -91.53 -12.18 9.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-O 121.138 0.494 . . . . 0.0 111.364 -178.561 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' I' I ' 3' ' ' VAL . . . . . 0.412 ' CG2' ' HA ' ' J' ' 28' ' ' PRO . 20.6 t -95.33 -86.72 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -179.234 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' I' I ' 4' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -60.32 -41.46 93.55 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 -178.198 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 5' ' ' GLN . . . . . 0.717 ' HB3' ' O ' ' I' ' 1' ' ' GLY . 21.1 tt0 -60.8 -31.43 70.81 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.553 0.216 . . . . 0.0 110.768 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' I' I ' 6' ' ' CYS . . . . . . . . . . . . . 89.1 m -104.92 9.9 34.47 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 7' ' ' CYS . . . . . . . . . . . . . 17.4 t -133.22 40.64 3.17 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.521 0.676 . . . . 0.0 110.468 179.261 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -125.86 -46.44 1.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.292 179.039 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' I' I ' 9' ' ' SER . . . . . 0.449 ' O ' ' HB ' ' I' ' 10' ' ' ILE . 14.1 t -150.35 21.57 0.84 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.0 179.29 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' I' I ' 10' ' ' ILE . . . . . 0.449 ' HB ' ' O ' ' I' ' 9' ' ' SER . 2.8 mp 74.04 127.22 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.269 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' I' I ' 11' ' ' CYS . . . . . . . . . . . . . 2.3 m -77.74 163.89 25.74 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.328 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 12' ' ' SER . . . . . . . . . . . . . 24.5 p -91.02 161.96 14.91 Favored 'General case' 0 N--CA 1.445 -0.71 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 178.049 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 13' ' ' LEU . . . . . 0.973 HD11 HD11 ' C' ' 13' ' ' LEU . 3.1 tt -57.24 -41.7 80.07 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.158 -179.003 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -64.13 -35.87 82.18 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.071 -0.513 . . . . 0.0 112.019 -179.26 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -68.12 -40.27 82.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.004 0.431 . . . . 0.0 110.891 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 16' ' ' LEU . . . . . 0.41 ' HB3' HD23 ' J' ' 15' ' ' LEU . 82.7 mt -73.89 -22.71 59.61 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.529 -179.136 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' I' I ' 17' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -60.33 -31.79 70.62 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -178.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 18' ' ' ASN . . . . . . . . . . . . . 20.0 p30 -93.12 13.33 21.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.941 0.401 . . . . 0.0 111.671 -179.096 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 19' ' ' TYR . . . . . . . . . . . . . 16.2 m-30 -109.12 19.18 19.79 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.176 0.513 . . . . 0.0 110.352 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 20' ' ' CYS . . . . . . . . . . . . . 59.1 m -94.9 175.66 6.56 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.195 179.502 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 21' ' ' ASN . . . . . 0.545 ' HB2' ' HB3' ' J' ' 22' ' ' ARG . 4.6 m120 . . . . . 0 C--O 1.246 0.885 0 CA-C-O 118.792 -0.623 . . . . 0.0 109.613 178.721 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 1' ' ' PHE . . . . . . . . . . . . . 36.8 t80 . . . . . 0 N--CA 1.48 1.028 0 CA-C-O 120.639 0.257 . . . . 0.0 111.073 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' J' J ' 2' ' ' VAL . . . . . 0.419 ' O ' HG13 ' J' ' 2' ' ' VAL . 13.1 p -81.86 63.12 0.31 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 CA-C-O 122.502 1.144 . . . . 0.0 110.977 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' J' J ' 3' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -153.44 -50.68 0.1 Allowed 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 178.794 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 4' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -49.76 -52.66 30.09 Favored 'General case' 0 N--CA 1.464 0.248 0 O-C-N 123.773 0.671 . . . . 0.0 111.814 179.474 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 5' ' ' HIS . . . . . 0.406 ' CE1' HD22 ' L' ' 17' ' ' LEU . 66.3 t60 -59.06 -39.76 83.07 Favored 'General case' 0 C--O 1.224 -0.284 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.071 -179.736 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' J' J ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 mt -78.52 -23.14 46.42 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.443 0.639 . . . . 0.0 110.138 -179.183 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 7' ' ' CYS . . . . . . . . . . . . . 38.7 t -76.12 -46.85 26.81 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.618 -1.174 . . . . 0.0 110.649 -179.674 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 8' ' ' GLY . . . . . 0.533 ' HA2' ' HG ' ' J' ' 11' ' ' LEU . . . -57.41 -32.07 63.75 Favored Glycine 0 N--CA 1.452 -0.24 0 CA-C-N 115.725 -0.67 . . . . 0.0 113.722 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' J' J ' 9' ' ' SER . . . . . 0.497 ' HB2' ' HE1' ' F' ' 10' ' ' HIS . 0.7 OUTLIER -66.18 -2.0 3.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.966 0.412 . . . . 0.0 111.698 -179.81 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' J' J ' 10' ' ' HIS . . . . . 0.497 ' HE1' ' HB2' ' B' ' 9' ' ' SER . 92.3 m-70 -109.35 -35.78 6.18 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 178.805 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' J' J ' 11' ' ' LEU . . . . . 0.533 ' HG ' ' HA2' ' J' ' 8' ' ' GLY . 0.7 OUTLIER -66.81 -28.43 68.36 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.685 179.64 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' J' J ' 12' ' ' VAL . . . . . 0.667 ' O ' ' HB2' ' J' ' 16' ' ' TYR . 16.8 m -56.16 -48.63 78.95 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.587 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.867 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' J' J ' 13' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -56.07 -51.73 66.8 Favored 'General case' 0 N--CA 1.465 0.297 0 O-C-N 123.243 0.34 . . . . 0.0 111.003 179.502 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.14 -51.57 57.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.353 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 15' ' ' LEU . . . . . 0.41 HD23 ' HB3' ' I' ' 16' ' ' LEU . 74.9 mt -69.88 -32.52 70.91 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.449 0.642 . . . . 0.0 110.822 179.48 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' J' J ' 16' ' ' TYR . . . . . 0.667 ' HB2' ' O ' ' J' ' 12' ' ' VAL . 0.6 OUTLIER -68.09 -19.94 64.89 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.06 -179.161 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' J' J ' 17' ' ' LEU . . . . . 0.51 ' HA ' HD13 ' J' ' 17' ' ' LEU . 0.5 OUTLIER -89.62 -48.24 7.42 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 178.481 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 61.6 t -69.26 -43.32 81.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.288 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 m -105.28 32.73 4.06 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.021 -179.382 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.33 -35.07 90.39 Favored Glycine 0 CA--C 1.519 0.299 0 CA-C-N 115.852 -0.613 . . . . 0.0 114.62 -178.417 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 21' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -92.63 4.78 52.99 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 117.515 0.657 . . . . 0.0 111.885 -178.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 22' ' ' ARG . . . . . 0.545 ' HB3' ' HB2' ' I' ' 21' ' ' ASN . 94.4 mtt180 -124.14 -78.7 0.6 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.734 0.778 . . . . 0.0 110.4 179.11 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' J' J ' 23' ' ' GLY . . . . . 0.43 ' HA3' ' HA ' ' L' ' 27' ' ' THR . . . 147.79 176.28 21.23 Favored Glycine 0 N--CA 1.44 -1.068 0 CA-C-N 114.413 -1.267 . . . . 0.0 110.181 -179.15 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' J' J ' 24' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -141.3 142.79 33.83 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.294 0.569 . . . . 0.0 110.97 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 25' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -97.09 106.05 18.31 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 179.435 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 26' ' ' TYR . . . . . 0.442 ' CE2' ' HG3' ' J' ' 28' ' ' PRO . 38.9 t80 -97.82 96.21 8.06 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 120.493 -0.483 . . . . 0.0 111.108 -178.334 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' J' J ' 27' ' ' THR . . . . . 0.411 ' HA ' ' HA3' ' L' ' 23' ' ' GLY . 46.0 m -115.19 97.7 48.76 Favored Pre-proline 0 C--N 1.321 -0.662 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.411 179.535 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' J' J ' 28' ' ' PRO . . . . . 0.442 ' HG3' ' CE2' ' J' ' 26' ' ' TYR . 16.7 Cg_exo -67.17 -19.94 50.25 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 123.281 2.654 . . . . 0.0 111.735 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' J' J ' 29' ' ' LYS . . . . . 0.433 ' HZ2' ' HB3' ' J' ' 29' ' ' LYS . 0.0 OUTLIER -69.5 112.72 6.21 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 179.394 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' J' J ' 30' ' ' THR . . . . . . . . . . . . . 1.4 p . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.932 -0.556 . . . . 0.0 110.548 179.979 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' K' K ' 1' ' ' GLY . . . . . 0.699 ' O ' ' HB3' ' K' ' 5' ' ' GLN . . . . . . . . 0 N--CA 1.485 1.912 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' K' K ' 2' ' ' ILE . . . . . 0.406 HD11 ' CD1' ' L' ' 15' ' ' LEU . 12.5 tt -93.14 -11.21 9.24 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 O-C-N 122.36 -0.494 . . . . 0.0 111.132 -178.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' K' K ' 3' ' ' VAL . . . . . 0.415 ' CG2' ' HA ' ' L' ' 28' ' ' PRO . 20.6 t -96.91 -85.65 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -179.373 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' K' K ' 4' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -60.9 -41.09 95.41 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -177.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' K' K ' 5' ' ' GLN . . . . . 0.699 ' HB3' ' O ' ' K' ' 1' ' ' GLY . 21.9 tt0 -61.22 -32.72 72.5 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.552 0.215 . . . . 0.0 110.681 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' K' K ' 6' ' ' CYS . . . . . . . . . . . . . 89.3 m -104.09 10.23 36.05 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.362 0.505 . . . . 0.0 112.362 -179.125 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' K' K ' 7' ' ' CYS . . . . . . . . . . . . . 17.6 t -133.13 39.96 3.24 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.541 0.686 . . . . 0.0 110.214 179.084 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' K' K ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -125.35 -45.35 1.82 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.459 178.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' K' K ' 9' ' ' SER . . . . . 0.437 ' O ' ' HB ' ' K' ' 10' ' ' ILE . 14.8 t -151.14 22.18 0.75 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.994 0.426 . . . . 0.0 109.884 179.231 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' K' K ' 10' ' ' ILE . . . . . 0.437 ' HB ' ' O ' ' K' ' 9' ' ' SER . 2.8 mp 72.82 126.2 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.307 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' K' K ' 11' ' ' CYS . . . . . . . . . . . . . 2.3 m -76.83 163.75 26.48 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.594 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' K' K ' 12' ' ' SER . . . . . . . . . . . . . 46.9 p -91.75 160.61 15.25 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.565 178.282 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' K' K ' 13' ' ' LEU . . . . . 0.936 HD11 HD11 ' E' ' 13' ' ' LEU . 2.9 tt -55.25 -42.2 73.17 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.397 -178.849 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -64.21 -35.48 80.95 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.19 -0.459 . . . . 0.0 112.033 -179.15 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -68.79 -39.3 80.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.985 0.421 . . . . 0.0 111.103 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' K' K ' 16' ' ' LEU . . . . . 0.413 ' HB3' HD23 ' L' ' 15' ' ' LEU . 84.4 mt -74.33 -22.68 59.13 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.532 -179.398 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' K' K ' 17' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -60.06 -33.4 72.0 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -178.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' K' K ' 18' ' ' ASN . . . . . . . . . . . . . 20.7 p30 -91.37 12.6 19.98 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.919 0.39 . . . . 0.0 111.659 -179.249 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' K' K ' 19' ' ' TYR . . . . . . . . . . . . . 16.1 m-30 -107.81 18.44 21.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.326 0.584 . . . . 0.0 110.52 179.25 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' K' K ' 20' ' ' CYS . . . . . . . . . . . . . 57.4 m -93.87 175.53 6.69 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.531 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' K' K ' 21' ' ' ASN . . . . . 0.549 ' HB2' ' HB3' ' L' ' 22' ' ' ARG . 4.8 m120 . . . . . 0 C--O 1.246 0.887 0 CA-C-O 118.613 -0.708 . . . . 0.0 110.047 178.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' L' L ' 1' ' ' PHE . . . . . . . . . . . . . 37.2 t80 . . . . . 0 N--CA 1.482 1.162 0 CA-C-O 120.831 0.348 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' L' L ' 2' ' ' VAL . . . . . 0.4 ' O ' HG13 ' L' ' 2' ' ' VAL . 10.4 p -81.69 63.6 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 CA-C-O 122.341 1.067 . . . . 0.0 111.236 179.633 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' L' L ' 3' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -154.3 -51.34 0.09 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.927 -1.033 . . . . 0.0 108.415 178.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' L' L ' 4' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -49.28 -52.22 28.88 Favored 'General case' 0 N--CA 1.464 0.242 0 O-C-N 123.814 0.696 . . . . 0.0 111.828 179.382 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' L' L ' 5' ' ' HIS . . . . . 0.425 ' CE1' HD22 ' J' ' 17' ' ' LEU . 66.0 t60 -59.35 -39.48 83.37 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-O 120.783 0.325 . . . . 0.0 111.211 -179.727 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' L' L ' 6' ' ' LEU . . . . . . . . . . . . . 4.5 mt -78.94 -23.36 44.69 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.623 0.725 . . . . 0.0 110.032 -178.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' L' L ' 7' ' ' CYS . . . . . . . . . . . . . 37.5 t -75.93 -47.14 26.39 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.587 -1.188 . . . . 0.0 110.478 -179.541 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' L' L ' 8' ' ' GLY . . . . . 0.533 ' HA2' ' HG ' ' L' ' 11' ' ' LEU . . . -57.0 -31.87 61.96 Favored Glycine 0 C--N 1.331 0.277 0 CA-C-N 115.773 -0.649 . . . . 0.0 113.821 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' L' L ' 9' ' ' SER . . . . . 0.518 ' HB2' ' HE1' ' D' ' 10' ' ' HIS . 0.7 OUTLIER -66.58 -0.65 2.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.919 0.39 . . . . 0.0 111.822 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' L' L ' 10' ' ' HIS . . . . . 0.501 ' HE1' ' HB2' ' H' ' 9' ' ' SER . 91.6 m-70 -110.8 -36.22 5.76 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 178.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' L' L ' 11' ' ' LEU . . . . . 0.533 ' HG ' ' HA2' ' L' ' 8' ' ' GLY . 0.6 OUTLIER -66.25 -28.28 68.6 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.784 179.471 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' L' L ' 12' ' ' VAL . . . . . 0.657 ' O ' ' HB2' ' L' ' 16' ' ' TYR . 16.5 m -56.39 -48.79 79.35 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.703 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.871 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' L' L ' 13' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 -56.24 -51.14 69.18 Favored 'General case' 0 N--CA 1.465 0.322 0 O-C-N 123.252 0.345 . . . . 0.0 111.202 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' L' L ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.67 -50.63 62.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.437 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' L' L ' 15' ' ' LEU . . . . . 0.413 HD23 ' HB3' ' K' ' 16' ' ' LEU . 76.1 mt -70.54 -33.05 70.72 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.308 0.575 . . . . 0.0 110.715 179.32 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' L' L ' 16' ' ' TYR . . . . . 0.657 ' HB2' ' O ' ' L' ' 12' ' ' VAL . 0.6 OUTLIER -67.87 -19.37 65.02 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.518 -0.764 . . . . 0.0 111.25 -179.273 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' L' L ' 17' ' ' LEU . . . . . 0.52 ' HA ' HD13 ' L' ' 17' ' ' LEU . 0.5 OUTLIER -90.15 -48.47 7.15 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 178.456 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 56.5 t -68.93 -44.58 81.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.135 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' L' L ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 m -104.5 33.56 3.49 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.342 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' L' L ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.91 -36.21 92.49 Favored Glycine 0 CA--C 1.518 0.259 0 CA-C-N 116.005 -0.543 . . . . 0.0 114.439 -178.801 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' L' L ' 21' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -92.09 7.78 40.81 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 117.198 0.499 . . . . 0.0 111.946 -178.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' L' L ' 22' ' ' ARG . . . . . 0.549 ' HB3' ' HB2' ' K' ' 21' ' ' ASN . 93.4 mtt180 -127.2 -79.28 0.59 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.659 0.743 . . . . 0.0 110.021 178.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' L' L ' 23' ' ' GLY . . . . . 0.411 ' HA3' ' HA ' ' J' ' 27' ' ' THR . . . 148.06 176.1 21.29 Favored Glycine 0 N--CA 1.44 -1.085 0 CA-C-N 114.374 -1.285 . . . . 0.0 110.152 -179.221 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' L' L ' 24' ' ' PHE . . . . . . . . . . . . . 19.2 p90 -141.03 143.05 34.18 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.357 0.599 . . . . 0.0 110.912 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' L' L ' 25' ' ' PHE . . . . . 0.418 ' H ' ' HD1' ' L' ' 25' ' ' PHE . 1.9 p90 -97.21 105.7 17.9 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 179.315 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' L' L ' 26' ' ' TYR . . . . . 0.429 ' CE2' ' HG3' ' L' ' 28' ' ' PRO . 39.3 t80 -97.7 96.54 8.33 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 120.586 -0.446 . . . . 0.0 111.146 -178.52 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' L' L ' 27' ' ' THR . . . . . 0.43 ' HA ' ' HA3' ' J' ' 23' ' ' GLY . 34.7 m -115.26 98.22 50.02 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.371 179.597 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' L' L ' 28' ' ' PRO . . . . . 0.429 ' HG3' ' CE2' ' L' ' 26' ' ' TYR . 16.5 Cg_exo -67.8 -20.88 45.34 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 123.046 2.498 . . . . 0.0 111.643 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' L' L ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 179.397 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.296 0 CA-C-O 119.796 -0.447 . . . . 0.0 112.968 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.857 HG23 ' H ' ' A' ' 3' ' ' VAL . 9.0 tt 32.19 -89.65 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 C-N-CA 125.063 1.345 . . . . 0.0 114.22 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.857 ' H ' HG23 ' A' ' 2' ' ' ILE . 4.6 t -56.1 -54.59 25.54 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.093 0 CA-C-O 120.849 0.357 . . . . 0.0 111.098 -178.783 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -59.02 -38.35 79.04 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.635 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -63.69 -47.28 81.8 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.377 -0.828 . . . . 0.0 111.9 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 76.4 m -83.38 -16.03 47.58 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 -177.732 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.4 t -77.65 -6.92 55.5 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 120.909 0.385 . . . . 0.0 110.725 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.2 p -68.6 -63.63 1.02 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.706 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.497 ' O ' ' HB ' ' A' ' 10' ' ' ILE . 11.9 t -158.69 35.49 0.22 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.328 -179.606 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.497 ' HB ' ' O ' ' A' ' 9' ' ' SER . 2.4 mp 74.01 139.81 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.946 179.534 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 80.4 m -103.66 175.49 5.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.542 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.498 ' HB3' ' HG3' ' A' ' 15' ' ' GLN . 40.5 t -78.98 147.87 32.77 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 177.235 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.9 tt -60.24 -34.98 74.45 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.996 0.427 . . . . 0.0 110.653 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -64.79 -27.1 68.66 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.335 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.498 ' HG3' ' HB3' ' A' ' 12' ' ' SER . 77.1 mt-30 -77.53 -34.56 53.91 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.921 0.391 . . . . 0.0 110.628 179.763 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.508 ' HB3' HD23 ' B' ' 15' ' ' LEU . 79.9 mt -66.67 -31.95 72.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.234 179.7 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -58.73 -32.05 68.86 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.853 179.333 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -73.52 -14.48 61.22 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.434 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -101.93 4.55 40.17 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.925 0.393 . . . . 0.0 110.751 -178.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 18.5 t -91.15 160.94 15.3 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.112 -179.221 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.446 ' C ' HH21 ' B' ' 22' ' ' ARG . 21.8 t-20 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.534 -0.746 . . . . 0.0 109.847 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 51.5 t80 . . . . . 0 N--CA 1.484 1.253 0 N-CA-C 111.165 0.061 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 2' ' ' VAL . . . . . 0.427 HG13 ' SG ' ' J' ' 7' ' ' CYS . 20.2 m 49.17 -157.53 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 124.255 1.022 . . . . 0.0 112.565 -179.032 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -137.28 175.37 9.67 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.601 0.239 . . . . 0.0 110.778 -178.139 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 4' ' ' GLN . . . . . 0.77 ' HA ' ' HB3' ' B' ' 7' ' ' CYS . 6.1 tt0 -50.41 -30.26 12.06 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 124.084 0.954 . . . . 0.0 110.414 178.599 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 77.6 t60 -48.05 -44.83 31.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.046 179.17 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.411 ' HG ' HD11 ' I' ' 10' ' ' ILE . 79.3 mt -94.94 -30.05 14.34 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 121.325 0.583 . . . . 0.0 110.504 179.583 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 7' ' ' CYS . . . . . 0.77 ' HB3' ' HA ' ' B' ' 4' ' ' GLN . 33.0 t -60.25 -38.83 84.7 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.097 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 8' ' ' GLY . . . . . 0.488 ' HA3' ' OH ' ' B' ' 26' ' ' TYR . . . -69.88 -19.46 75.25 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 121.097 -0.573 . . . . 0.0 113.775 -179.649 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 9' ' ' SER . . . . . 1.034 ' HB2' ' HG2' ' D' ' 13' ' ' GLU . 10.1 p -65.85 -18.88 65.64 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 117.446 0.623 . . . . 0.0 110.534 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -104.59 -19.83 13.86 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.337 -179.227 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.457 HD12 HG13 ' A' ' 3' ' ' VAL . 44.8 mt -72.59 -34.23 67.27 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 177.086 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.797 HG21 HG21 ' D' ' 12' ' ' VAL . 30.0 m -68.25 -29.9 45.95 Favored 'Isoleucine or valine' 0 C--O 1.232 0.142 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.487 178.749 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 1.091 ' HG2' ' HB2' ' D' ' 9' ' ' SER . 48.5 mt-10 -60.8 -32.76 72.11 Favored 'General case' 0 CA--C 1.522 -0.126 0 CA-C-O 121.428 0.632 . . . . 0.0 109.581 179.693 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 14' ' ' ALA . . . . . 0.465 ' O ' HG23 ' B' ' 18' ' ' VAL . . . -84.42 -36.23 22.53 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.911 178.124 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.508 HD23 ' HB3' ' A' ' 16' ' ' LEU . 15.9 mt -57.41 -54.89 41.68 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.738 179.701 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 16' ' ' TYR . . . . . 0.805 ' CE2' ' HA ' ' B' ' 13' ' ' GLU . 1.7 p90 -65.33 -24.25 67.21 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 120.356 -0.537 . . . . 0.0 110.805 -179.147 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 2.6 tt -69.76 -39.22 76.83 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 109.711 -0.478 . . . . 0.0 109.711 -179.464 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.465 HG23 ' O ' ' B' ' 14' ' ' ALA . 58.9 t -69.17 -36.4 72.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 178.087 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 19' ' ' CYS . . . . . 0.808 ' HB3' ' HB2' ' B' ' 22' ' ' ARG . 84.1 m -69.77 -37.58 76.44 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.319 179.378 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.77 -87.18 1.24 Allowed Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.681 -0.771 . . . . 0.0 111.24 -179.164 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.519 ' HG2' ' HD2' ' D' ' 29' ' ' LYS . 17.6 tt0 -120.61 33.68 5.49 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.859 0.838 . . . . 0.0 109.401 178.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 22' ' ' ARG . . . . . 0.808 ' HB2' ' HB3' ' B' ' 19' ' ' CYS . 78.2 mtp180 -121.03 170.84 9.13 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.921 179.559 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -111.18 -175.97 20.3 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.752 -0.737 . . . . 0.0 111.822 179.168 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' PHE . . . . . 0.554 ' HE2' ' HB3' ' B' ' 16' ' ' TYR . 13.3 p90 -158.67 163.23 37.07 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.001 0.429 . . . . 0.0 110.739 179.778 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 13.7 m-30 -100.05 111.31 23.61 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 178.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.515 ' HB2' ' HE1' ' B' ' 24' ' ' PHE . 64.9 t80 -100.74 112.2 24.56 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.883 0.373 . . . . 0.0 111.454 -178.593 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 4.0 p -125.37 95.88 40.17 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.947 178.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -78.03 46.22 2.02 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 123.012 2.475 . . . . 0.0 112.51 -179.548 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.603 ' HD2' ' HG2' ' D' ' 21' ' ' GLU . 45.6 tttm -163.65 147.72 10.43 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.461 -0.791 . . . . 0.0 109.602 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 18.1 m . . . . . 0 C--O 1.253 1.275 0 CA-C-O 118.01 -0.995 . . . . 0.0 108.907 178.751 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.94 0 CA-C-O 119.97 -0.35 . . . . 0.0 112.442 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 2' ' ' ILE . . . . . 0.833 HG23 ' H ' ' C' ' 3' ' ' VAL . 8.8 tt 31.02 -88.9 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 125.239 1.416 . . . . 0.0 114.351 -179.732 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 3' ' ' VAL . . . . . 0.833 ' H ' HG23 ' C' ' 2' ' ' ILE . 4.1 t -56.61 -54.58 27.06 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.13 0 CA-C-O 121.049 0.452 . . . . 0.0 111.085 -178.789 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -59.56 -35.25 73.88 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.858 179.228 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 5' ' ' GLN . . . . . 0.403 ' HG2' ' SG ' ' C' ' 11' ' ' CYS . 23.7 tt0 -67.43 -47.04 71.37 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.644 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 73.1 m -83.53 -15.91 47.54 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 -177.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 7' ' ' CYS . . . . . 0.4 ' HB2' HD11 ' D' ' 11' ' ' LEU . 42.3 t -77.51 -6.49 53.78 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.014 0.435 . . . . 0.0 110.476 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 40.8 p -68.36 -65.47 0.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.263 179.556 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 9' ' ' SER . . . . . 0.488 ' O ' ' HB ' ' C' ' 10' ' ' ILE . 9.6 t -157.86 36.31 0.26 Allowed 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.234 -179.636 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 10' ' ' ILE . . . . . 0.488 ' HB ' ' O ' ' C' ' 9' ' ' SER . 2.3 mp 74.45 140.28 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.647 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.987 179.363 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 11' ' ' CYS . . . . . 0.403 ' SG ' ' HG2' ' C' ' 5' ' ' GLN . 75.7 m -103.62 176.59 5.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.376 179.667 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 12' ' ' SER . . . . . 0.496 ' HB3' ' HG3' ' C' ' 15' ' ' GLN . 35.6 t -80.6 147.91 30.53 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 177.069 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 10.1 tt -59.95 -34.05 72.74 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.929 0.395 . . . . 0.0 110.607 -179.623 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -65.6 -26.78 67.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.314 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 15' ' ' GLN . . . . . 0.496 ' HG3' ' HB3' ' C' ' 12' ' ' SER . 78.0 mt-30 -77.73 -34.97 52.36 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.957 0.408 . . . . 0.0 110.675 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 16' ' ' LEU . . . . . 0.515 ' HB3' HD23 ' D' ' 15' ' ' LEU . 78.0 mt -66.25 -31.76 72.77 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.258 179.762 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 -58.64 -32.71 69.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.933 179.302 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -73.05 -13.38 61.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.541 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 9.3 m-30 -102.94 3.61 36.57 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.054 0.454 . . . . 0.0 110.608 -178.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 18.3 t -90.65 158.06 17.13 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.076 -179.353 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 21' ' ' ASN . . . . . 0.452 ' C ' HH21 ' D' ' 22' ' ' ARG . 22.4 t-20 . . . . . 0 C--O 1.247 0.968 0 CA-C-O 118.617 -0.706 . . . . 0.0 109.942 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 51.2 t80 . . . . . 0 N--CA 1.484 1.24 0 CA-C-O 120.263 0.078 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' D' D ' 2' ' ' VAL . . . . . 0.417 HG13 ' SG ' ' H' ' 7' ' ' CYS . 21.9 m 48.38 -157.78 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 124.447 1.099 . . . . 0.0 112.6 -178.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 3' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -136.98 174.67 10.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 122.293 -0.254 . . . . 0.0 110.674 -178.016 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 4' ' ' GLN . . . . . 0.772 ' HA ' ' HB3' ' D' ' 7' ' ' CYS . 6.1 tt0 -50.58 -29.09 9.97 Favored 'General case' 0 C--N 1.333 -0.129 0 C-N-CA 124.09 0.956 . . . . 0.0 110.505 178.691 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 5' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -49.21 -43.95 42.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.241 -0.89 . . . . 0.0 111.128 178.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 6' ' ' LEU . . . . . 0.408 ' HG ' HD11 ' G' ' 10' ' ' ILE . 78.1 mt -95.92 -29.72 14.02 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.44 0.638 . . . . 0.0 110.542 179.412 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 7' ' ' CYS . . . . . 0.772 ' HB3' ' HA ' ' D' ' 4' ' ' GLN . 30.6 t -60.29 -38.98 85.29 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.094 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 8' ' ' GLY . . . . . 0.487 ' HA3' ' OH ' ' D' ' 26' ' ' TYR . . . -69.56 -20.1 75.28 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 121.213 -0.518 . . . . 0.0 113.807 -179.61 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 9' ' ' SER . . . . . 1.091 ' HB2' ' HG2' ' B' ' 13' ' ' GLU . 10.4 p -65.44 -18.85 65.63 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 117.332 0.566 . . . . 0.0 110.648 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 10' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -104.51 -19.93 13.86 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.268 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 11' ' ' LEU . . . . . 0.452 HD12 HG13 ' C' ' 3' ' ' VAL . 44.1 mt -72.46 -34.11 67.5 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 177.161 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 12' ' ' VAL . . . . . 0.797 HG21 HG21 ' B' ' 12' ' ' VAL . 26.7 m -68.25 -29.97 46.18 Favored 'Isoleucine or valine' 0 C--O 1.231 0.08 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.449 178.752 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 13' ' ' GLU . . . . . 1.034 ' HG2' ' HB2' ' B' ' 9' ' ' SER . 48.4 mt-10 -60.72 -32.79 72.03 Favored 'General case' 0 CA--C 1.522 -0.119 0 CA-C-O 121.369 0.604 . . . . 0.0 109.536 179.624 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 14' ' ' ALA . . . . . 0.446 ' O ' HG23 ' D' ' 18' ' ' VAL . . . -84.51 -35.75 22.68 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.886 178.153 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 15' ' ' LEU . . . . . 0.515 HD23 ' HB3' ' C' ' 16' ' ' LEU . 15.7 mt -58.06 -54.58 45.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.728 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 16' ' ' TYR . . . . . 0.784 ' CE2' ' HA ' ' D' ' 13' ' ' GLU . 1.8 p90 -65.4 -24.48 67.22 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.806 -179.113 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 tt -69.05 -41.33 77.77 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 -179.41 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 18' ' ' VAL . . . . . 0.446 HG23 ' O ' ' D' ' 14' ' ' ALA . 57.5 t -66.94 -37.31 79.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.589 0.709 . . . . 0.0 109.266 178.218 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 19' ' ' CYS . . . . . 0.791 ' HB3' ' HB2' ' D' ' 22' ' ' ARG . 85.9 m -69.01 -38.04 79.01 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.168 -0.924 . . . . 0.0 111.348 179.596 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.11 -88.69 1.28 Allowed Glycine 0 N--CA 1.449 -0.461 0 N-CA-C 111.108 -0.797 . . . . 0.0 111.108 -178.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 21' ' ' GLU . . . . . 0.603 ' HG2' ' HD2' ' B' ' 29' ' ' LYS . 18.5 tt0 -119.11 35.05 4.96 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.813 0.816 . . . . 0.0 109.379 178.82 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 22' ' ' ARG . . . . . 0.791 ' HB2' ' HB3' ' D' ' 19' ' ' CYS . 79.2 mtp180 -122.35 169.11 11.27 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.8 179.628 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 23' ' ' GLY . . . . . . . . . . . . . . . -109.88 -176.67 21.07 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 121.025 -0.607 . . . . 0.0 111.81 179.14 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 24' ' ' PHE . . . . . 0.558 ' HE2' ' HB3' ' D' ' 16' ' ' TYR . 12.6 p90 -158.51 162.87 37.49 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.06 0.457 . . . . 0.0 110.904 179.667 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 25' ' ' PHE . . . . . . . . . . . . . 13.4 m-30 -99.29 110.17 22.72 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 179.126 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 26' ' ' TYR . . . . . 0.517 ' HB2' ' HE1' ' D' ' 24' ' ' PHE . 66.3 t80 -99.76 112.99 25.19 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.875 0.369 . . . . 0.0 111.537 -178.784 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 27' ' ' THR . . . . . . . . . . . . . 3.4 p -126.18 95.23 39.46 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.015 179.244 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 28' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -77.9 48.0 2.51 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 123.118 2.545 . . . . 0.0 112.167 -179.504 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 29' ' ' LYS . . . . . 0.519 ' HD2' ' HG2' ' B' ' 21' ' ' GLU . 44.5 tttm -165.82 146.86 6.9 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.545 179.748 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 9.9 m . . . . . 0 C--O 1.253 1.266 0 CA-C-O 117.734 -1.126 . . . . 0.0 108.553 178.619 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.07 0 CA-C-O 119.716 -0.491 . . . . 0.0 112.348 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' E' E ' 2' ' ' ILE . . . . . 0.837 HG23 ' H ' ' E' ' 3' ' ' VAL . 8.6 tt 33.75 -89.88 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.746 0 C-N-CA 124.841 1.256 . . . . 0.0 114.157 -179.611 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 3' ' ' VAL . . . . . 0.837 ' H ' HG23 ' E' ' 2' ' ' ILE . 4.1 t -56.03 -54.74 23.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.804 0.335 . . . . 0.0 111.116 -178.767 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 4' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -58.7 -37.99 77.3 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.708 179.087 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -64.25 -48.58 75.24 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.818 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 6' ' ' CYS . . . . . . . . . . . . . 73.2 m -82.08 -16.52 49.79 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 -177.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 7' ' ' CYS . . . . . . . . . . . . . 42.6 t -77.17 -7.08 55.24 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.687 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 47.1 p -67.96 -64.16 0.92 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.503 179.51 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 9' ' ' SER . . . . . 0.504 ' O ' ' HB ' ' E' ' 10' ' ' ILE . 10.8 t -158.81 35.85 0.22 Allowed 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.337 -179.683 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 10' ' ' ILE . . . . . 0.504 ' HB ' ' O ' ' E' ' 9' ' ' SER . 2.4 mp 74.61 139.89 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 CA-C-O 121.341 0.591 . . . . 0.0 111.956 179.445 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 11' ' ' CYS . . . . . . . . . . . . . 77.2 m -103.05 176.9 4.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.499 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 12' ' ' SER . . . . . 0.452 ' HB3' ' HG3' ' E' ' 15' ' ' GLN . 36.6 t -82.03 146.12 29.86 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 177.188 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 10.1 tt -57.84 -34.51 69.78 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.936 0.398 . . . . 0.0 110.774 -179.485 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -65.56 -25.89 67.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.454 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 15' ' ' GLN . . . . . 0.452 ' HG3' ' HB3' ' E' ' 12' ' ' SER . 78.6 mt-30 -78.74 -35.16 45.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.838 0.352 . . . . 0.0 110.456 179.761 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 16' ' ' LEU . . . . . 0.504 ' HB3' HD23 ' F' ' 15' ' ' LEU . 80.0 mt -65.86 -31.93 73.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.38 179.685 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 17' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -58.9 -32.3 69.41 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.86 179.458 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 18' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -73.42 -14.18 61.21 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.404 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 19' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -102.37 5.59 39.85 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.169 0.509 . . . . 0.0 110.673 -178.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 20' ' ' CYS . . . . . . . . . . . . . 17.9 t -91.94 160.53 15.22 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.895 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 21' ' ' ASN . . . . . 0.416 ' C ' HH21 ' F' ' 22' ' ' ARG . 22.7 t-20 . . . . . 0 C--O 1.244 0.776 0 CA-C-O 118.518 -0.753 . . . . 0.0 110.282 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 1' ' ' PHE . . . . . . . . . . . . . 50.0 t80 . . . . . 0 N--CA 1.483 1.208 0 CA-C-O 120.392 0.139 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' F' F ' 2' ' ' VAL . . . . . 0.418 HG13 ' SG ' ' B' ' 7' ' ' CYS . 22.7 m 49.24 -156.04 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 124.431 1.093 . . . . 0.0 112.637 -179.039 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 3' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -138.76 174.76 10.19 Favored 'General case' 0 C--N 1.322 -0.592 0 O-C-N 122.292 -0.255 . . . . 0.0 110.577 -177.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 4' ' ' GLN . . . . . 0.761 ' HA ' ' HB3' ' F' ' 7' ' ' CYS . 5.9 tt0 -50.52 -29.64 11.04 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 123.966 0.906 . . . . 0.0 110.449 178.614 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 5' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -48.79 -43.98 38.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.119 179.123 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 6' ' ' LEU . . . . . . . . . . . . . 79.1 mt -95.9 -29.55 14.13 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.268 0.556 . . . . 0.0 110.525 179.588 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 7' ' ' CYS . . . . . 0.761 ' HB3' ' HA ' ' F' ' 4' ' ' GLN . 31.3 t -60.51 -38.81 85.56 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.092 179.751 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 8' ' ' GLY . . . . . 0.495 ' HA3' ' OH ' ' F' ' 26' ' ' TYR . . . -69.68 -19.94 75.32 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 121.229 -0.51 . . . . 0.0 113.805 -179.673 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 9' ' ' SER . . . . . 1.051 ' HB2' ' HG2' ' H' ' 13' ' ' GLU . 10.6 p -65.6 -19.1 65.78 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 117.486 0.643 . . . . 0.0 110.599 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 10' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -104.29 -20.05 13.89 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.376 -179.342 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 11' ' ' LEU . . . . . 0.457 HD12 HG13 ' E' ' 3' ' ' VAL . 43.5 mt -72.56 -34.1 67.27 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 177.258 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 12' ' ' VAL . . . . . 0.796 HG21 HG21 ' H' ' 12' ' ' VAL . 26.7 m -68.28 -30.02 46.31 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.506 178.817 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 13' ' ' GLU . . . . . 1.042 ' HG2' ' HB2' ' H' ' 9' ' ' SER . 48.2 mt-10 -60.57 -32.81 71.88 Favored 'General case' 0 CA--C 1.521 -0.145 0 CA-C-O 121.466 0.65 . . . . 0.0 109.614 179.524 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 14' ' ' ALA . . . . . 0.45 ' O ' HG23 ' F' ' 18' ' ' VAL . . . -84.41 -35.8 22.86 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.946 178.144 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 15' ' ' LEU . . . . . 0.504 HD23 ' HB3' ' E' ' 16' ' ' LEU . 15.8 mt -58.04 -54.68 44.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.734 179.761 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 16' ' ' TYR . . . . . 0.794 ' CE2' ' HA ' ' F' ' 13' ' ' GLU . 1.8 p90 -65.43 -23.81 67.03 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.34 -0.544 . . . . 0.0 110.82 -179.124 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 2.4 tt -69.82 -41.12 75.4 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 -179.426 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 18' ' ' VAL . . . . . 0.45 HG23 ' O ' ' F' ' 14' ' ' ALA . 57.9 t -67.18 -36.71 77.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.562 0.696 . . . . 0.0 109.235 178.405 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 19' ' ' CYS . . . . . 0.787 ' HB3' ' HB2' ' F' ' 22' ' ' ARG . 84.7 m -69.89 -36.82 75.74 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.159 -0.928 . . . . 0.0 111.52 179.601 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.08 -88.8 1.18 Allowed Glycine 0 N--CA 1.448 -0.565 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -178.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 21' ' ' GLU . . . . . 0.575 ' HG2' ' HD2' ' H' ' 29' ' ' LYS . 18.4 tt0 -119.16 35.01 4.98 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.759 0.79 . . . . 0.0 109.283 179.152 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 22' ' ' ARG . . . . . 0.787 ' HB2' ' HB3' ' F' ' 19' ' ' CYS . 79.6 mtp180 -122.36 169.1 11.29 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.796 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 23' ' ' GLY . . . . . . . . . . . . . . . -109.7 -176.58 21.16 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.862 -0.685 . . . . 0.0 111.836 179.193 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 24' ' ' PHE . . . . . 0.558 ' HE2' ' HB3' ' F' ' 16' ' ' TYR . 12.5 p90 -158.83 162.44 37.0 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.047 0.451 . . . . 0.0 110.951 179.633 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 25' ' ' PHE . . . . . . . . . . . . . 13.3 m-30 -99.27 110.26 22.81 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 179.157 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 26' ' ' TYR . . . . . 0.503 ' HB2' ' HE1' ' F' ' 24' ' ' PHE . 65.3 t80 -100.08 112.58 24.88 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.846 0.355 . . . . 0.0 111.488 -178.667 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 27' ' ' THR . . . . . . . . . . . . . 6.3 p -125.46 95.79 40.12 Favored Pre-proline 0 C--N 1.321 -0.644 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.027 179.016 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 28' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -78.07 46.57 2.11 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.893 2.395 . . . . 0.0 112.433 -179.557 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 29' ' ' LYS . . . . . 0.573 ' HD2' ' HG2' ' H' ' 21' ' ' GLU . 44.9 tttm -164.45 147.14 8.88 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.501 179.788 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 30' ' ' THR . . . . . . . . . . . . . 13.7 m . . . . . 0 C--O 1.252 1.22 0 CA-C-O 118.031 -0.985 . . . . 0.0 108.838 178.914 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' G' G ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.08 0 CA-C-O 119.788 -0.451 . . . . 0.0 112.552 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' G' G ' 2' ' ' ILE . . . . . 0.839 HG23 ' H ' ' G' ' 3' ' ' VAL . 8.5 tt 31.06 -88.87 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.716 0 C-N-CA 125.072 1.349 . . . . 0.0 114.186 -179.688 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 3' ' ' VAL . . . . . 0.839 ' H ' HG23 ' G' ' 2' ' ' ILE . 4.0 t -56.7 -54.53 27.93 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.094 0 CA-C-O 120.884 0.373 . . . . 0.0 111.17 -178.746 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 4' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -58.91 -38.22 78.42 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.622 179.286 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 5' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -64.12 -47.86 78.34 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.829 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 6' ' ' CYS . . . . . . . . . . . . . 72.5 m -83.05 -15.29 51.6 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 -177.767 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 7' ' ' CYS . . . . . . . . . . . . . 42.2 t -78.13 -7.17 56.69 Favored 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.482 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 8' ' ' THR . . . . . . . . . . . . . 42.3 p -67.93 -65.85 0.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.222 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 9' ' ' SER . . . . . 0.502 ' O ' ' HB ' ' G' ' 10' ' ' ILE . 10.3 t -157.0 36.6 0.3 Allowed 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.466 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 10' ' ' ILE . . . . . 0.502 ' HB ' ' O ' ' G' ' 9' ' ' SER . 2.3 mp 74.14 139.71 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 CA-C-N 115.907 -0.588 . . . . 0.0 112.077 179.382 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 11' ' ' CYS . . . . . . . . . . . . . 77.5 m -103.35 176.55 5.11 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.515 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 12' ' ' SER . . . . . 0.51 ' HB3' ' HG3' ' G' ' 15' ' ' GLN . 41.5 t -80.52 147.16 30.96 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 177.174 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 13' ' ' LEU . . . . . . . . . . . . . 9.8 tt -59.27 -34.51 72.34 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.043 0.449 . . . . 0.0 110.7 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -65.59 -26.38 67.82 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.44 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 15' ' ' GLN . . . . . 0.51 ' HG3' ' HB3' ' G' ' 12' ' ' SER . 77.2 mt-30 -78.09 -34.95 49.9 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.488 -0.323 . . . . 0.0 110.495 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 16' ' ' LEU . . . . . 0.497 ' HB3' HD23 ' H' ' 15' ' ' LEU . 79.1 mt -66.06 -32.13 73.41 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.062 0.458 . . . . 0.0 110.258 179.612 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 17' ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -59.22 -29.72 67.71 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.053 179.398 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 18' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -76.09 -12.24 60.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.896 0.379 . . . . 0.0 111.397 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 19' ' ' TYR . . . . . . . . . . . . . 9.6 m-30 -103.78 2.65 33.14 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.21 0.528 . . . . 0.0 110.589 -178.632 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 20' ' ' CYS . . . . . . . . . . . . . 17.0 t -89.1 159.75 17.38 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.078 -179.288 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 21' ' ' ASN . . . . . 0.422 ' C ' HH21 ' H' ' 22' ' ' ARG . 22.7 t-20 . . . . . 0 C--O 1.246 0.874 0 CA-C-O 118.4 -0.81 . . . . 0.0 110.072 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 1' ' ' PHE . . . . . . . . . . . . . 51.3 t80 . . . . . 0 N--CA 1.483 1.181 0 CA-C-O 120.135 0.016 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' H' H ' 2' ' ' VAL . . . . . 0.417 HG13 ' SG ' ' L' ' 7' ' ' CYS . 21.3 m 48.98 -157.1 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 C-N-CA 124.389 1.076 . . . . 0.0 112.578 -178.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 3' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -137.07 175.57 9.49 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.887 -177.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 4' ' ' GLN . . . . . 0.76 ' HA ' ' HB3' ' H' ' 7' ' ' CYS . 5.9 tt0 -51.81 -28.55 16.04 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 123.953 0.901 . . . . 0.0 110.378 178.6 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 5' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -49.25 -44.35 43.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.944 179.001 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 6' ' ' LEU . . . . . 0.401 ' HG ' HD11 ' K' ' 10' ' ' ILE . 79.8 mt -95.47 -30.28 13.95 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.312 0.577 . . . . 0.0 110.48 179.601 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 7' ' ' CYS . . . . . 0.76 ' HB3' ' HA ' ' H' ' 4' ' ' GLN . 28.0 t -59.98 -38.87 83.83 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.076 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 8' ' ' GLY . . . . . 0.476 ' HA3' ' OH ' ' H' ' 26' ' ' TYR . . . -69.46 -19.99 75.01 Favored Glycine 0 N--CA 1.446 -0.648 0 CA-C-N 116.151 -0.477 . . . . 0.0 113.753 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 9' ' ' SER . . . . . 1.042 ' HB2' ' HG2' ' F' ' 13' ' ' GLU . 10.0 p -65.77 -18.79 65.58 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 117.424 0.612 . . . . 0.0 110.666 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 10' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -104.69 -19.67 13.88 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.309 -179.277 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 11' ' ' LEU . . . . . 0.462 HD12 HG13 ' G' ' 3' ' ' VAL . 45.4 mt -72.66 -34.17 67.06 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 177.074 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 12' ' ' VAL . . . . . 0.796 HG21 HG21 ' F' ' 12' ' ' VAL . 26.8 m -68.24 -29.91 46.02 Favored 'Isoleucine or valine' 0 C--O 1.232 0.157 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.491 178.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 13' ' ' GLU . . . . . 1.051 ' HG2' ' HB2' ' F' ' 9' ' ' SER . 47.7 mt-10 -60.72 -32.69 71.94 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-O 121.534 0.683 . . . . 0.0 109.671 179.609 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 14' ' ' ALA . . . . . 0.45 ' O ' HG23 ' H' ' 18' ' ' VAL . . . -84.68 -35.31 22.66 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.994 178.081 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 15' ' ' LEU . . . . . 0.497 HD23 ' HB3' ' G' ' 16' ' ' LEU . 15.5 mt -58.16 -54.95 41.24 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.737 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 16' ' ' TYR . . . . . 0.805 ' CE2' ' HA ' ' H' ' 13' ' ' GLU . 1.8 p90 -65.14 -24.45 67.41 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 120.396 -0.521 . . . . 0.0 110.876 -179.235 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 2.6 tt -69.43 -40.76 77.05 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 -179.497 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 18' ' ' VAL . . . . . 0.45 HG23 ' O ' ' H' ' 14' ' ' ALA . 58.2 t -67.49 -37.85 79.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 178.151 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 19' ' ' CYS . . . . . 0.821 ' HB3' ' HB2' ' H' ' 22' ' ' ARG . 86.5 m -68.15 -38.18 81.86 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.486 179.296 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.46 -86.88 1.31 Allowed Glycine 0 N--CA 1.449 -0.438 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -179.16 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 21' ' ' GLU . . . . . 0.573 ' HG2' ' HD2' ' F' ' 29' ' ' LYS . 18.4 tt0 -121.2 34.34 5.24 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.78 0.8 . . . . 0.0 109.314 178.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 22' ' ' ARG . . . . . 0.821 ' HB2' ' HB3' ' H' ' 19' ' ' CYS . 79.6 mtp180 -121.84 169.12 11.08 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.047 -0.979 . . . . 0.0 109.711 179.75 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 23' ' ' GLY . . . . . . . . . . . . . . . -109.67 -176.61 21.18 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.822 -0.704 . . . . 0.0 111.597 179.165 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 24' ' ' PHE . . . . . 0.551 ' HE2' ' HB3' ' H' ' 16' ' ' TYR . 12.4 p90 -158.22 163.29 37.62 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.074 0.464 . . . . 0.0 110.906 179.68 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 25' ' ' PHE . . . . . . . . . . . . . 13.6 m-30 -99.75 111.05 23.41 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.044 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 26' ' ' TYR . . . . . 0.509 ' HB2' ' HE1' ' H' ' 24' ' ' PHE . 66.5 t80 -100.93 112.52 24.98 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.849 0.357 . . . . 0.0 111.51 -178.574 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 27' ' ' THR . . . . . . . . . . . . . 3.4 p -125.57 95.39 40.65 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.18 179.048 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 28' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -77.71 46.55 2.06 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.906 2.404 . . . . 0.0 112.526 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 29' ' ' LYS . . . . . 0.575 ' HD2' ' HG2' ' F' ' 21' ' ' GLU . 45.5 tttm -163.77 148.59 10.62 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.568 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 30' ' ' THR . . . . . 0.402 ' N ' ' HG2' ' H' ' 29' ' ' LYS . 13.7 m . . . . . 0 C--O 1.254 1.309 0 CA-C-O 118.081 -0.962 . . . . 0.0 109.124 178.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.477 0 CA-C-O 120.002 -0.332 . . . . 0.0 112.786 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' I' I ' 2' ' ' ILE . . . . . 0.884 HG23 ' H ' ' I' ' 3' ' ' VAL . 9.0 tt 31.29 -89.34 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 125.21 1.404 . . . . 0.0 114.266 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' I' I ' 3' ' ' VAL . . . . . 0.884 ' H ' HG23 ' I' ' 2' ' ' ILE . 4.0 t -55.84 -54.67 23.92 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 CA-C-O 120.817 0.341 . . . . 0.0 111.288 -178.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' I' I ' 4' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -58.77 -39.1 80.04 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.588 179.263 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 5' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -63.22 -48.06 79.88 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.914 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 6' ' ' CYS . . . . . . . . . . . . . 73.5 m -82.67 -16.21 49.08 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 -177.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 7' ' ' CYS . . . . . 0.401 ' HB2' HD11 ' J' ' 11' ' ' LEU . 42.1 t -77.45 -6.51 53.72 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.527 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' I' I ' 8' ' ' THR . . . . . . . . . . . . . 41.1 p -68.66 -64.67 0.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.47 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 9' ' ' SER . . . . . 0.5 ' O ' ' HB ' ' I' ' 10' ' ' ILE . 13.6 t -157.86 36.17 0.26 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.187 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' I' I ' 10' ' ' ILE . . . . . 0.5 ' HB ' ' O ' ' I' ' 9' ' ' SER . 2.3 mp 74.43 141.36 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.761 179.485 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' I' I ' 11' ' ' CYS . . . . . . . . . . . . . 76.5 m -104.75 176.39 5.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.305 179.484 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 12' ' ' SER . . . . . 0.548 ' HB3' ' HG3' ' I' ' 15' ' ' GLN . 40.8 t -79.9 148.64 31.2 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 177.23 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' I' I ' 13' ' ' LEU . . . . . . . . . . . . . 10.0 tt -60.98 -34.68 75.16 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.033 0.444 . . . . 0.0 110.528 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -65.03 -26.36 68.23 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.309 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 15' ' ' GLN . . . . . 0.548 ' HG3' ' HB3' ' I' ' 12' ' ' SER . 77.4 mt-30 -77.93 -35.46 50.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.001 0.429 . . . . 0.0 110.578 179.686 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' I' I ' 16' ' ' LEU . . . . . 0.533 ' HB3' HD23 ' J' ' 15' ' ' LEU . 77.8 mt -65.83 -32.05 73.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.306 179.66 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' I' I ' 17' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -58.85 -31.34 68.43 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.986 179.547 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 18' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -74.19 -14.76 60.99 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.361 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 19' ' ' TYR . . . . . . . . . . . . . 8.9 m-30 -101.49 4.54 41.28 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.893 0.377 . . . . 0.0 110.831 -178.68 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 20' ' ' CYS . . . . . . . . . . . . . 17.9 t -91.53 159.15 16.07 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.021 -179.194 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 21' ' ' ASN . . . . . 0.426 ' C ' HH21 ' J' ' 22' ' ' ARG . 21.5 t-20 . . . . . 0 C--O 1.248 0.975 0 CA-C-O 118.446 -0.788 . . . . 0.0 109.963 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' J' J ' 1' ' ' PHE . . . . . . . . . . . . . 53.8 t80 . . . . . 0 N--CA 1.482 1.162 0 CA-C-O 120.243 0.068 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' J' J ' 2' ' ' VAL . . . . . 0.421 HG13 ' SG ' ' F' ' 7' ' ' CYS . 22.7 m 48.96 -156.01 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 124.295 1.038 . . . . 0.0 112.538 -178.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' J' J ' 3' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -138.0 175.58 9.46 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 122.368 -0.208 . . . . 0.0 110.761 -178.067 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' J' J ' 4' ' ' GLN . . . . . 0.749 ' HA ' ' HB3' ' J' ' 7' ' ' CYS . 5.9 tt0 -51.53 -28.9 15.01 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 123.962 0.905 . . . . 0.0 110.497 178.254 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' J' J ' 5' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -49.21 -44.18 43.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.033 179.029 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' J' J ' 6' ' ' LEU . . . . . . . . . . . . . 79.4 mt -95.5 -30.05 14.06 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.379 0.609 . . . . 0.0 110.587 179.473 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' J' J ' 7' ' ' CYS . . . . . 0.749 ' HB3' ' HA ' ' J' ' 4' ' ' GLN . 33.8 t -60.13 -38.77 84.07 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.085 179.744 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' J' J ' 8' ' ' GLY . . . . . 0.496 ' HA3' ' OH ' ' J' ' 26' ' ' TYR . . . -69.7 -19.65 75.11 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 121.201 -0.523 . . . . 0.0 113.87 -179.622 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' J' J ' 9' ' ' SER . . . . . 1.096 ' HB2' ' HG2' ' L' ' 13' ' ' GLU . 10.6 p -65.95 -18.96 65.69 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 117.417 0.608 . . . . 0.0 110.643 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' J' J ' 10' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -104.44 -19.55 14.01 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.33 -179.295 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' J' J ' 11' ' ' LEU . . . . . 0.448 HD12 HG13 ' I' ' 3' ' ' VAL . 45.2 mt -73.0 -33.88 66.05 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 177.126 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' J' J ' 12' ' ' VAL . . . . . 0.801 HG21 HG21 ' L' ' 12' ' ' VAL . 26.9 m -68.66 -29.99 45.67 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.411 178.816 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' J' J ' 13' ' ' GLU . . . . . 1.069 ' HG2' ' HB2' ' L' ' 9' ' ' SER . 48.9 mt-10 -60.67 -32.36 71.57 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-O 121.498 0.666 . . . . 0.0 109.616 179.561 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' J' J ' 14' ' ' ALA . . . . . 0.446 ' O ' HG23 ' J' ' 18' ' ' VAL . . . -84.83 -35.74 22.09 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.936 178.139 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' J' J ' 15' ' ' LEU . . . . . 0.533 HD23 ' HB3' ' I' ' 16' ' ' LEU . 15.7 mt -57.87 -54.77 43.15 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.769 179.716 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' J' J ' 16' ' ' TYR . . . . . 0.807 ' CE2' ' HA ' ' J' ' 13' ' ' GLU . 1.8 p90 -65.39 -24.42 67.22 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.321 -0.551 . . . . 0.0 110.809 -179.11 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 2.7 tt -69.16 -40.71 78.01 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 -179.453 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' J' J ' 18' ' ' VAL . . . . . 0.446 HG23 ' O ' ' J' ' 14' ' ' ALA . 58.5 t -67.43 -38.29 80.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 178.154 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' J' J ' 19' ' ' CYS . . . . . 0.807 ' HB3' ' HB2' ' J' ' 22' ' ' ARG . 85.3 m -68.16 -35.89 78.77 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.188 -0.914 . . . . 0.0 111.666 179.352 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' J' J ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.76 -87.46 1.05 Allowed Glycine 0 N--CA 1.45 -0.397 0 N-CA-C 111.307 -0.717 . . . . 0.0 111.307 -179.114 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' J' J ' 21' ' ' GLU . . . . . 0.574 ' HG2' ' HD2' ' L' ' 29' ' ' LYS . 18.1 tt0 -120.9 36.85 4.47 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.784 0.802 . . . . 0.0 109.363 179.087 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' J' J ' 22' ' ' ARG . . . . . 0.807 ' HB2' ' HB3' ' J' ' 19' ' ' CYS . 79.1 mtp180 -124.09 169.93 11.2 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.691 179.634 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' J' J ' 23' ' ' GLY . . . . . . . . . . . . . . . -110.46 -176.31 20.72 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.783 -0.722 . . . . 0.0 111.654 179.285 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' J' J ' 24' ' ' PHE . . . . . 0.546 ' HE2' ' HB3' ' J' ' 16' ' ' TYR . 12.4 p90 -158.52 163.14 37.35 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.098 0.475 . . . . 0.0 110.803 179.741 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' J' J ' 25' ' ' PHE . . . . . . . . . . . . . 13.8 m-30 -100.06 110.07 22.37 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 179.165 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' J' J ' 26' ' ' TYR . . . . . 0.509 ' HB2' ' HE1' ' J' ' 24' ' ' PHE . 66.6 t80 -99.93 112.54 24.81 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.907 0.384 . . . . 0.0 111.668 -178.671 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' J' J ' 27' ' ' THR . . . . . . . . . . . . . 4.9 p -125.37 95.41 41.11 Favored Pre-proline 0 C--N 1.32 -0.678 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.073 179.202 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' J' J ' 28' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -77.98 46.91 2.19 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.905 2.403 . . . . 0.0 112.299 -179.455 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' J' J ' 29' ' ' LYS . . . . . 0.531 ' HD2' ' HG2' ' L' ' 21' ' ' GLU . 45.0 tttm -164.95 146.11 7.64 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.829 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' J' J ' 30' ' ' THR . . . . . . . . . . . . . 9.9 m . . . . . 0 C--O 1.253 1.281 0 CA-C-O 117.986 -1.007 . . . . 0.0 108.959 178.963 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.191 0 CA-C-O 119.755 -0.469 . . . . 0.0 113.055 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' K' K ' 2' ' ' ILE . . . . . 0.838 HG23 ' H ' ' K' ' 3' ' ' VAL . 8.7 tt 33.26 -89.09 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 C-N-CA 124.994 1.318 . . . . 0.0 114.113 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' K' K ' 3' ' ' VAL . . . . . 0.838 ' H ' HG23 ' K' ' 2' ' ' ILE . 4.1 t -57.25 -54.27 32.73 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 CA-C-O 120.963 0.411 . . . . 0.0 110.927 -178.761 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' K' K ' 4' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -58.66 -39.38 80.47 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.331 0.586 . . . . 0.0 110.607 179.169 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' K' K ' 5' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -63.35 -48.27 78.65 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.239 -0.891 . . . . 0.0 111.957 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' K' K ' 6' ' ' CYS . . . . . . . . . . . . . 72.8 m -82.49 -16.03 50.26 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 -177.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' K' K ' 7' ' ' CYS . . . . . . . . . . . . . 42.3 t -77.21 -7.35 55.74 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.563 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' K' K ' 8' ' ' THR . . . . . . . . . . . . . 45.4 p -68.04 -65.5 0.69 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.506 179.674 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' K' K ' 9' ' ' SER . . . . . 0.505 ' O ' ' HB ' ' K' ' 10' ' ' ILE . 10.6 t -156.81 36.16 0.3 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.202 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' K' K ' 10' ' ' ILE . . . . . 0.505 ' HB ' ' O ' ' K' ' 9' ' ' SER . 2.3 mp 73.98 140.02 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.823 179.573 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' K' K ' 11' ' ' CYS . . . . . . . . . . . . . 75.1 m -103.3 177.24 4.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.384 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' K' K ' 12' ' ' SER . . . . . 0.499 ' HB3' ' HG3' ' K' ' 15' ' ' GLN . 30.3 t -80.87 148.39 29.94 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 177.071 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' K' K ' 13' ' ' LEU . . . . . . . . . . . . . 9.8 tt -60.23 -34.35 73.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.007 0.432 . . . . 0.0 110.564 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -65.82 -26.42 67.67 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.412 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' K' K ' 15' ' ' GLN . . . . . 0.499 ' HG3' ' HB3' ' K' ' 12' ' ' SER . 77.9 mt-30 -77.81 -34.67 51.95 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.599 179.702 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' K' K ' 16' ' ' LEU . . . . . 0.495 ' HB3' HD23 ' L' ' 15' ' ' LEU . 80.3 mt -66.72 -31.15 71.62 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.469 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' K' K ' 17' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -59.81 -31.19 69.48 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.948 179.486 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' K' K ' 18' ' ' ASN . . . . . . . . . . . . . 19.1 m120 -74.34 -13.95 60.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.475 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' K' K ' 19' ' ' TYR . . . . . . . . . . . . . 9.3 m-30 -102.4 4.51 38.97 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.13 0.491 . . . . 0.0 110.705 -178.745 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' K' K ' 20' ' ' CYS . . . . . . . . . . . . . 19.7 t -91.94 157.68 16.69 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.338 -179.099 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' K' K ' 21' ' ' ASN . . . . . 0.422 ' C ' HH21 ' L' ' 22' ' ' ARG . 23.2 t-20 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.435 -0.793 . . . . 0.0 109.615 179.589 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' L' L ' 1' ' ' PHE . . . . . . . . . . . . . 51.5 t80 . . . . . 0 N--CA 1.482 1.152 0 N-CA-C 111.38 0.141 . . . . 0.0 111.38 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' L' L ' 2' ' ' VAL . . . . . 0.412 HG13 ' SG ' ' D' ' 7' ' ' CYS . 20.4 m 48.81 -156.6 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 124.235 1.014 . . . . 0.0 112.618 -179.064 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' L' L ' 3' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -137.82 175.59 9.45 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.747 0.308 . . . . 0.0 110.674 -178.124 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' L' L ' 4' ' ' GLN . . . . . 0.738 ' HA ' ' HB3' ' L' ' 7' ' ' CYS . 6.0 tt0 -51.0 -29.72 13.17 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 123.999 0.92 . . . . 0.0 110.333 178.488 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' L' L ' 5' ' ' HIS . . . . . . . . . . . . . 77.8 t60 -48.58 -44.46 36.78 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 115.289 -0.868 . . . . 0.0 111.023 179.171 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' L' L ' 6' ' ' LEU . . . . . . . . . . . . . 80.5 mt -95.5 -30.01 14.08 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.45 0.643 . . . . 0.0 110.619 179.589 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' L' L ' 7' ' ' CYS . . . . . 0.738 ' HB3' ' HA ' ' L' ' 4' ' ' GLN . 32.1 t -59.68 -39.59 85.03 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.171 179.566 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' L' L ' 8' ' ' GLY . . . . . 0.498 ' HA3' ' OH ' ' L' ' 26' ' ' TYR . . . -69.01 -19.6 73.9 Favored Glycine 0 N--CA 1.449 -0.473 0 CA-C-N 115.972 -0.558 . . . . 0.0 113.935 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' L' L ' 9' ' ' SER . . . . . 1.069 ' HB2' ' HG2' ' J' ' 13' ' ' GLU . 9.8 p -66.2 -18.81 65.58 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 117.348 0.574 . . . . 0.0 110.636 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' L' L ' 10' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -104.51 -19.94 13.86 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.367 -179.365 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' L' L ' 11' ' ' LEU . . . . . 0.459 HD12 HG13 ' K' ' 3' ' ' VAL . 41.4 mt -72.64 -34.21 67.13 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 177.128 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' L' L ' 12' ' ' VAL . . . . . 0.801 HG21 HG21 ' J' ' 12' ' ' VAL . 28.1 m -68.1 -29.85 46.01 Favored 'Isoleucine or valine' 0 C--O 1.231 0.105 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.461 178.626 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' L' L ' 13' ' ' GLU . . . . . 1.096 ' HG2' ' HB2' ' J' ' 9' ' ' SER . 48.4 mt-10 -60.88 -32.62 72.06 Favored 'General case' 0 CA--C 1.522 -0.134 0 CA-C-O 121.363 0.602 . . . . 0.0 109.578 179.6 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' L' L ' 14' ' ' ALA . . . . . 0.441 ' O ' HG23 ' L' ' 18' ' ' VAL . . . -84.71 -35.66 22.37 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.474 -0.784 . . . . 0.0 109.966 178.039 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' L' L ' 15' ' ' LEU . . . . . 0.495 HD23 ' HB3' ' K' ' 16' ' ' LEU . 15.4 mt -57.76 -54.87 41.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.73 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' L' L ' 16' ' ' TYR . . . . . 0.806 ' CE2' ' HA ' ' L' ' 13' ' ' GLU . 1.7 p90 -65.54 -23.91 66.98 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.886 -178.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 2.7 tt -69.6 -40.51 76.61 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 -179.475 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' L' L ' 18' ' ' VAL . . . . . 0.441 HG23 ' O ' ' L' ' 14' ' ' ALA . 57.3 t -67.89 -37.42 78.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 178.239 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' L' L ' 19' ' ' CYS . . . . . 0.814 ' HB3' ' HB2' ' L' ' 22' ' ' ARG . 84.3 m -68.89 -36.56 78.2 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.388 179.329 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' L' L ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.88 -87.06 1.16 Allowed Glycine 0 N--CA 1.448 -0.513 0 N-CA-C 111.338 -0.705 . . . . 0.0 111.338 -179.055 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' L' L ' 21' ' ' GLU . . . . . 0.531 ' HG2' ' HD2' ' J' ' 29' ' ' LYS . 17.8 tt0 -120.94 35.89 4.75 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.706 0.765 . . . . 0.0 109.221 179.134 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' L' L ' 22' ' ' ARG . . . . . 0.814 ' HB2' ' HB3' ' L' ' 19' ' ' CYS . 79.4 mtp180 -123.56 169.68 11.19 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.036 -0.983 . . . . 0.0 109.743 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' L' L ' 23' ' ' GLY . . . . . . . . . . . . . . . -110.3 -177.02 20.89 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.767 -0.73 . . . . 0.0 111.721 179.136 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' L' L ' 24' ' ' PHE . . . . . 0.542 ' HE2' ' HB3' ' L' ' 16' ' ' TYR . 12.4 p90 -157.54 163.87 37.93 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.955 0.407 . . . . 0.0 110.783 179.654 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' L' L ' 25' ' ' PHE . . . . . . . . . . . . . 13.5 m-30 -100.4 110.55 22.75 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 179.105 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' L' L ' 26' ' ' TYR . . . . . 0.517 ' HB2' ' HE1' ' L' ' 24' ' ' PHE . 65.1 t80 -100.51 111.79 24.09 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.79 0.329 . . . . 0.0 111.664 -178.592 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' L' L ' 27' ' ' THR . . . . . . . . . . . . . 5.1 p -125.06 95.44 41.86 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.07 179.096 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' L' L ' 28' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -77.78 45.14 1.7 Allowed 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 123.002 2.468 . . . . 0.0 112.657 -179.397 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' L' L ' 29' ' ' LYS . . . . . 0.574 ' HD2' ' HG2' ' J' ' 21' ' ' GLU . 45.4 tttm . . . . . 0 C--N 1.324 -0.535 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.538 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.712 0 N-CA-C 111.753 -0.539 . . . . 0.0 111.753 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.718 HD11 HD11 ' B' ' 15' ' ' LEU . 5.5 tt -151.24 -39.8 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 120.89 0.376 . . . . 0.0 111.093 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.47 HG11 ' HG3' ' B' ' 4' ' ' GLN . 52.2 t -62.37 -72.48 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.324 -179.422 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 76.4 tt0 -60.06 -34.77 73.87 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.65 0.262 . . . . 0.0 110.831 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.581 ' HG2' ' SG ' ' A' ' 11' ' ' CYS . 17.2 tt0 -52.55 -42.99 64.92 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.96 179.735 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 73.3 m -98.69 -29.04 13.25 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -179.292 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.789 ' HB2' HD11 ' B' ' 11' ' ' LEU . 49.4 t -81.76 44.93 0.85 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.607 0.718 . . . . 0.0 111.189 -179.716 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -133.47 -63.07 0.76 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.64 178.3 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.458 ' O ' ' HB ' ' A' ' 10' ' ' ILE . 7.8 t -144.24 25.56 1.54 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.252 -0.431 . . . . 0.0 109.996 179.227 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.552 HG21 ' CD2' ' F' ' 5' ' ' HIS . 2.0 mp 71.43 145.98 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.526 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.581 ' SG ' ' HG2' ' A' ' 5' ' ' GLN . 74.3 m -100.83 166.74 10.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.856 0.36 . . . . 0.0 110.475 179.702 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.9 t -72.84 158.15 36.09 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 178.798 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.1 tt -60.85 -56.36 22.11 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.472 -179.122 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -65.56 -16.87 64.11 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 111.42 0.155 . . . . 0.0 111.42 -179.186 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -77.14 -24.18 51.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.827 0.346 . . . . 0.0 110.11 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.479 HD22 ' HG ' ' B' ' 15' ' ' LEU . 97.8 mt -80.34 -26.76 38.54 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 179.037 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.702 ' HA ' ' SG ' ' A' ' 20' ' ' CYS . 0.5 OUTLIER -62.85 -19.32 64.01 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.958 179.096 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -63.85 -16.33 61.08 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.493 179.088 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -114.81 2.08 14.28 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -178.13 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.702 ' SG ' ' HA ' ' A' ' 17' ' ' GLU . 81.1 m -74.18 139.34 44.39 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.749 0.309 . . . . 0.0 111.131 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 44.7 m-20 . . . . . 0 C--O 1.241 0.625 0 CA-C-O 118.762 -0.637 . . . . 0.0 110.261 179.779 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 5.9 p90 . . . . . 0 N--CA 1.481 1.117 0 N-CA-C 109.697 -0.482 . . . . 0.0 109.697 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 16.9 m -117.71 176.2 2.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 C-N-CA 120.335 -0.546 . . . . 0.0 110.883 179.397 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 3' ' ' ASN . . . . . 0.517 ' H ' ' CD1' ' I' ' 10' ' ' ILE . 61.6 t30 -107.33 -179.15 3.84 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.913 -178.68 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 4' ' ' GLN . . . . . 0.684 ' HA ' ' HB3' ' B' ' 7' ' ' CYS . 0.2 OUTLIER -49.85 -29.8 8.72 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 123.805 0.842 . . . . 0.0 111.77 179.544 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 5' ' ' HIS . . . . . 0.601 ' NE2' ' HG ' ' D' ' 17' ' ' LEU . 42.2 t60 -57.36 -20.69 30.91 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.806 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' B' ' 6' ' ' LEU . 31.1 mt -120.04 -21.83 6.92 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.397 0.618 . . . . 0.0 110.256 178.641 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 7' ' ' CYS . . . . . 0.684 ' HB3' ' HA ' ' B' ' 4' ' ' GLN . 34.6 t -73.18 -36.64 66.62 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.226 -179.735 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 8' ' ' GLY . . . . . 0.427 ' HA3' ' OH ' ' B' ' 26' ' ' TYR . . . -52.09 -49.94 47.59 Favored Glycine 0 C--O 1.228 -0.279 0 N-CA-C 114.583 0.593 . . . . 0.0 114.583 -179.21 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 9' ' ' SER . . . . . 0.587 ' OG ' ' HB3' ' D' ' 13' ' ' GLU . 32.7 t -50.29 -44.57 53.97 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -178.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -70.51 -17.26 62.95 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.876 -0.602 . . . . 0.0 112.357 -178.385 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.789 HD11 ' HB2' ' A' ' 7' ' ' CYS . 12.2 mt -88.18 -34.81 17.69 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 107.207 -1.405 . . . . 0.0 107.207 176.311 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 1.063 HG11 HG11 ' D' ' 12' ' ' VAL . 51.6 t -66.17 -47.69 83.81 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 CA-C-N 114.421 -1.263 . . . . 0.0 112.188 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.578 ' HB3' ' OG ' ' D' ' 9' ' ' SER . 14.1 pt-20 -54.58 -40.43 68.79 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.709 0.29 . . . . 0.0 111.442 -178.69 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.27 -31.1 43.32 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.124 178.609 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.718 HD11 HD11 ' A' ' 2' ' ' ILE . 0.9 OUTLIER -58.25 -60.19 4.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.203 179.623 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 16' ' ' TYR . . . . . 0.789 ' HB2' ' HG3' ' D' ' 28' ' ' PRO . 6.3 p90 -69.79 -18.3 63.47 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 120.396 -0.521 . . . . 0.0 110.829 -179.332 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.607 ' HG ' ' NE2' ' D' ' 5' ' ' HIS . 4.7 tt -69.59 -38.26 77.24 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 178.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 71.7 t -70.76 -42.98 77.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.387 178.27 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' CYS . . . . . 0.425 ' HB3' ' HB2' ' B' ' 22' ' ' ARG . 84.2 m -62.3 -32.51 73.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.318 179.234 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.64 -102.35 0.88 Allowed Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 115.859 -0.609 . . . . 0.0 112.939 179.308 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -87.17 -1.55 57.98 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.189 0.518 . . . . 0.0 110.514 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' ARG . . . . . 0.425 ' HB2' ' HB3' ' B' ' 19' ' ' CYS . 66.7 mtt85 -101.52 156.38 17.51 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.264 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 23' ' ' GLY . . . . . 0.883 ' HA2' ' HD2' ' D' ' 28' ' ' PRO . . . -101.62 -159.44 26.82 Favored Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 120.598 -0.81 . . . . 0.0 112.052 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 24' ' ' PHE . . . . . 0.877 ' HZ ' HG13 ' B' ' 12' ' ' VAL . 6.0 p90 -172.22 -176.22 1.58 Allowed 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 9.1 p90 -125.17 150.76 46.63 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 178.778 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.427 ' OH ' ' HA3' ' B' ' 8' ' ' GLY . 71.4 t80 -145.52 119.52 9.38 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.632 -0.427 . . . . 0.0 111.304 -179.289 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 27' ' ' THR . . . . . 0.715 HG22 ' HA3' ' D' ' 23' ' ' GLY . 6.9 p -124.09 99.33 37.74 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.768 178.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 28' ' ' PRO . . . . . 0.848 ' HD2' ' HA2' ' D' ' 23' ' ' GLY . 69.3 Cg_endo -74.48 55.34 3.63 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 123.169 2.579 . . . . 0.0 113.787 -178.475 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 4.8 ttpm? -124.57 -109.14 0.32 Allowed 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 178.552 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 62.5 m . . . . . 0 C--O 1.254 1.338 0 CA-C-O 117.528 -1.225 . . . . 0.0 108.135 178.907 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.67 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 2' ' ' ILE . . . . . 0.697 HD11 HD11 ' D' ' 15' ' ' LEU . 5.0 tt -152.49 -38.79 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 O-C-N 122.401 -0.47 . . . . 0.0 110.87 -179.69 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 3' ' ' VAL . . . . . 0.482 HG11 ' HG3' ' D' ' 4' ' ' GLN . 49.6 t -62.89 -73.4 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.156 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 74.9 tt0 -59.46 -34.89 73.09 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.631 0.253 . . . . 0.0 111.08 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 5' ' ' GLN . . . . . 0.592 ' HG2' ' SG ' ' C' ' 11' ' ' CYS . 16.9 tt0 -52.4 -42.68 64.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.972 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 74.5 m -99.03 -29.07 13.11 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -179.405 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 7' ' ' CYS . . . . . 0.805 ' HB2' HD11 ' D' ' 11' ' ' LEU . 49.8 t -81.68 45.31 0.88 Allowed 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.633 0.73 . . . . 0.0 111.14 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -133.78 -63.37 0.74 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.467 178.246 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 9' ' ' SER . . . . . 0.492 ' O ' ' HB ' ' C' ' 10' ' ' ILE . 8.6 t -143.47 23.45 1.8 Allowed 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.352 179.486 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 10' ' ' ILE . . . . . 0.544 HG21 ' CD2' ' L' ' 5' ' ' HIS . 1.9 mp 73.82 146.25 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.081 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 11' ' ' CYS . . . . . 0.592 ' SG ' ' HG2' ' C' ' 5' ' ' GLN . 73.0 m -101.3 167.17 10.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.886 0.374 . . . . 0.0 110.36 179.629 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 17.1 t -74.47 156.6 36.76 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 179.047 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 10.0 tt -58.52 -56.85 16.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.879 -179.013 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -65.88 -15.83 63.29 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.709 0.29 . . . . 0.0 111.499 -179.143 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -78.15 -23.84 47.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.96 0.41 . . . . 0.0 110.014 179.462 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 16' ' ' LEU . . . . . 0.467 HD22 ' HG ' ' D' ' 15' ' ' LEU . 97.6 mt -80.78 -26.53 37.16 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.111 0.481 . . . . 0.0 109.846 178.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 17' ' ' GLU . . . . . 0.692 ' HA ' ' SG ' ' C' ' 20' ' ' CYS . 0.9 OUTLIER -62.61 -20.1 64.41 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.907 179.049 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -63.05 -17.64 62.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.354 179.027 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -113.09 1.24 15.24 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -177.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 20' ' ' CYS . . . . . 0.692 ' SG ' ' HA ' ' C' ' 17' ' ' GLU . 84.9 m -73.18 141.69 47.39 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.75 0.31 . . . . 0.0 111.153 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 48.5 m-20 . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.873 -0.584 . . . . 0.0 109.579 179.576 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 6.3 p90 . . . . . 0 N--CA 1.481 1.101 0 N-CA-C 109.549 -0.538 . . . . 0.0 109.549 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' D' D ' 2' ' ' VAL . . . . . . . . . . . . . 17.0 m -117.66 175.16 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 C-N-CA 120.462 -0.495 . . . . 0.0 110.88 179.504 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 3' ' ' ASN . . . . . 0.49 ' H ' ' CD1' ' G' ' 10' ' ' ILE . 62.4 t30 -106.17 -178.45 3.65 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.246 -178.524 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 4' ' ' GLN . . . . . 0.689 ' HA ' ' HB3' ' D' ' 7' ' ' CYS . 0.3 OUTLIER -50.86 -29.3 11.49 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 123.844 0.858 . . . . 0.0 111.596 179.515 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 5' ' ' HIS . . . . . 0.607 ' NE2' ' HG ' ' B' ' 17' ' ' LEU . 42.9 t60 -57.73 -20.53 35.18 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.948 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 6' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' D' ' 6' ' ' LEU . 31.2 mt -120.5 -20.82 7.02 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.338 0.59 . . . . 0.0 110.231 178.822 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 7' ' ' CYS . . . . . 0.689 ' HB3' ' HA ' ' D' ' 4' ' ' GLN . 29.8 t -73.97 -36.6 64.59 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.161 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 8' ' ' GLY . . . . . 0.425 ' HA3' ' OH ' ' D' ' 26' ' ' TYR . . . -52.16 -50.29 46.57 Favored Glycine 0 C--O 1.227 -0.282 0 CA-C-N 116.003 -0.544 . . . . 0.0 114.413 -179.381 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 9' ' ' SER . . . . . 0.578 ' OG ' ' HB3' ' B' ' 13' ' ' GLU . 28.9 t -50.05 -44.63 51.69 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -178.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 10' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -70.48 -17.65 62.97 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.409 -178.383 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 11' ' ' LEU . . . . . 0.805 HD11 ' HB2' ' C' ' 7' ' ' CYS . 11.3 mt -87.56 -35.06 18.34 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 176.203 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 12' ' ' VAL . . . . . 1.063 HG11 HG11 ' B' ' 12' ' ' VAL . 50.5 t -66.0 -47.03 86.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 114.439 -1.255 . . . . 0.0 112.247 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 13' ' ' GLU . . . . . 0.587 ' HB3' ' OG ' ' B' ' 9' ' ' SER . 15.9 pt-20 -55.29 -39.78 70.3 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.552 0.215 . . . . 0.0 111.36 -178.662 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.83 -31.12 40.58 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.978 0.418 . . . . 0.0 110.014 178.391 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 15' ' ' LEU . . . . . 0.697 HD11 HD11 ' C' ' 2' ' ' ILE . 0.9 OUTLIER -57.99 -60.15 4.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.315 179.746 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 16' ' ' TYR . . . . . 0.802 ' HB2' ' HG3' ' B' ' 28' ' ' PRO . 5.8 p90 -70.03 -17.86 63.28 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.469 -0.492 . . . . 0.0 110.906 -179.434 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 17' ' ' LEU . . . . . 0.601 ' HG ' ' NE2' ' B' ' 5' ' ' HIS . 4.8 tt -70.01 -38.14 75.87 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 178.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 72.4 t -70.98 -42.88 77.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.377 178.239 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 19' ' ' CYS . . . . . 0.437 ' HB3' ' HB2' ' D' ' 22' ' ' ARG . 83.3 m -62.32 -32.48 73.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.22 179.2 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.12 -102.08 0.88 Allowed Glycine 0 C--N 1.333 0.397 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.891 179.074 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -87.71 -2.51 58.66 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.324 0.583 . . . . 0.0 110.459 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 22' ' ' ARG . . . . . 0.437 ' HB2' ' HB3' ' D' ' 19' ' ' CYS . 68.2 mtt85 -100.11 157.09 16.81 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.267 179.699 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 23' ' ' GLY . . . . . 0.848 ' HA2' ' HD2' ' B' ' 28' ' ' PRO . . . -102.66 -159.74 25.79 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.665 -0.779 . . . . 0.0 111.994 179.721 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 24' ' ' PHE . . . . . 0.859 ' HZ ' HG13 ' D' ' 12' ' ' VAL . 6.0 p90 -171.68 -175.36 1.55 Allowed 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 25' ' ' PHE . . . . . . . . . . . . . 9.1 p90 -126.22 150.41 48.39 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 178.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 26' ' ' TYR . . . . . 0.425 ' OH ' ' HA3' ' D' ' 8' ' ' GLY . 72.6 t80 -145.28 119.1 9.25 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.985 0.422 . . . . 0.0 111.489 -179.256 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 27' ' ' THR . . . . . 0.751 HG22 ' HA3' ' B' ' 23' ' ' GLY . 5.5 p -123.61 99.47 39.1 Favored Pre-proline 0 C--N 1.321 -0.67 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.783 179.043 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 28' ' ' PRO . . . . . 0.883 ' HD2' ' HA2' ' B' ' 23' ' ' GLY . 66.4 Cg_endo -74.26 54.88 3.39 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 123.137 2.558 . . . . 0.0 113.842 -178.412 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 29' ' ' LYS . . . . . 0.407 ' HB3' ' H ' ' D' ' 30' ' ' THR . 4.7 ttpm? -124.14 -109.35 0.32 Allowed 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 178.733 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 30' ' ' THR . . . . . 0.407 ' H ' ' HB3' ' D' ' 29' ' ' LYS . 90.3 m . . . . . 0 C--O 1.25 1.126 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 179.081 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.695 0 N-CA-C 112.146 -0.381 . . . . 0.0 112.146 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' E' E ' 2' ' ' ILE . . . . . 0.71 HD11 HD11 ' F' ' 15' ' ' LEU . 5.9 tt -152.75 -39.56 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-O 120.81 0.338 . . . . 0.0 111.085 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 3' ' ' VAL . . . . . 0.459 HG11 ' HG3' ' F' ' 4' ' ' GLN . 53.8 t -63.2 -71.83 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.695 -179.322 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 4' ' ' GLU . . . . . . . . . . . . . 77.1 tt0 -60.99 -35.57 77.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.579 0.228 . . . . 0.0 110.723 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 5' ' ' GLN . . . . . 0.576 ' HG2' ' SG ' ' E' ' 11' ' ' CYS . 16.8 tt0 -51.31 -41.91 60.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.122 179.536 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 6' ' ' CYS . . . . . . . . . . . . . 73.0 m -99.85 -29.08 12.8 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.92 -179.329 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 7' ' ' CYS . . . . . 0.816 ' HB2' HD11 ' F' ' 11' ' ' LEU . 47.7 t -82.14 46.31 1.01 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.738 0.78 . . . . 0.0 111.05 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -134.77 -62.62 0.73 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.479 178.398 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 9' ' ' SER . . . . . 0.485 ' O ' ' HB ' ' E' ' 10' ' ' ILE . 8.7 t -144.35 23.4 1.64 Allowed 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.047 179.506 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 10' ' ' ILE . . . . . 0.537 HG21 ' CD2' ' J' ' 5' ' ' HIS . 1.9 mp 73.55 146.53 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.654 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.144 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 11' ' ' CYS . . . . . 0.576 ' SG ' ' HG2' ' E' ' 5' ' ' GLN . 70.8 m -100.83 168.86 9.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.718 0.294 . . . . 0.0 110.488 179.685 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 12' ' ' SER . . . . . . . . . . . . . 21.3 t -76.17 156.81 33.37 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 178.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 10.1 tt -58.74 -56.73 18.46 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.638 -178.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -66.19 -14.53 62.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.661 0.267 . . . . 0.0 111.589 -179.133 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -79.13 -24.12 43.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.986 0.422 . . . . 0.0 109.976 179.32 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 16' ' ' LEU . . . . . 0.487 HD22 ' HG ' ' F' ' 15' ' ' LEU . 97.7 mt -80.53 -26.53 38.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.001 178.729 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 17' ' ' GLU . . . . . 0.698 ' HA ' ' SG ' ' E' ' 20' ' ' CYS . 0.9 OUTLIER -63.41 -18.52 63.8 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.9 179.043 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' E' E ' 18' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -64.25 -16.87 62.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.285 178.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 19' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -113.74 0.69 14.61 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -178.126 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 20' ' ' CYS . . . . . 0.698 ' SG ' ' HA ' ' E' ' 17' ' ' GLU . 79.7 m -71.91 143.04 49.48 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.904 0.383 . . . . 0.0 111.185 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 21' ' ' ASN . . . . . . . . . . . . . 45.1 m-20 . . . . . 0 C--O 1.246 0.919 0 CA-C-O 118.907 -0.568 . . . . 0.0 109.872 179.565 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' F' F ' 1' ' ' PHE . . . . . . . . . . . . . 5.8 p90 . . . . . 0 N--CA 1.482 1.157 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' F' F ' 2' ' ' VAL . . . . . . . . . . . . . 17.5 m -118.48 175.93 3.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 C-N-CA 120.342 -0.543 . . . . 0.0 110.838 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 3' ' ' ASN . . . . . 0.506 ' H ' ' CD1' ' A' ' 10' ' ' ILE . 61.5 t30 -106.92 -179.22 3.87 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.165 -178.543 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 4' ' ' GLN . . . . . 0.668 ' HA ' ' HB3' ' F' ' 7' ' ' CYS . 0.3 OUTLIER -50.02 -29.68 9.16 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 123.755 0.822 . . . . 0.0 111.712 179.427 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' F' F ' 5' ' ' HIS . . . . . 0.606 ' NE2' ' HG ' ' H' ' 17' ' ' LEU . 44.6 t60 -57.5 -20.8 33.61 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.867 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 6' ' ' LEU . . . . . . . . . . . . . 30.4 mt -119.85 -21.3 7.24 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.276 0.56 . . . . 0.0 110.311 178.69 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 7' ' ' CYS . . . . . 0.668 ' HB3' ' HA ' ' F' ' 4' ' ' GLN . 32.5 t -73.6 -36.57 65.53 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.108 -179.68 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 8' ' ' GLY . . . . . 0.435 ' HA3' ' OH ' ' F' ' 26' ' ' TYR . . . -51.99 -50.56 44.41 Favored Glycine 0 N--CA 1.452 -0.265 0 CA-C-N 115.92 -0.582 . . . . 0.0 114.413 -179.152 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 9' ' ' SER . . . . . 0.577 ' OG ' ' HB3' ' H' ' 13' ' ' GLU . 29.5 t -49.99 -44.45 50.99 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.416 0.524 . . . . 0.0 112.416 -179.052 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 10' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -70.54 -17.46 62.94 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.266 -178.555 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 11' ' ' LEU . . . . . 0.816 HD11 ' HB2' ' E' ' 7' ' ' CYS . 11.4 mt -88.11 -34.09 18.03 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 176.283 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 12' ' ' VAL . . . . . 1.088 HG11 HG11 ' H' ' 12' ' ' VAL . 50.7 t -66.61 -47.56 83.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 114.421 -1.263 . . . . 0.0 112.319 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 13' ' ' GLU . . . . . 0.587 ' HB3' ' OG ' ' H' ' 9' ' ' SER . 13.9 pt-20 -54.57 -40.65 68.97 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.607 0.242 . . . . 0.0 111.384 -178.749 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.27 -30.91 43.26 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.954 0.407 . . . . 0.0 110.226 178.571 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 15' ' ' LEU . . . . . 0.71 HD11 HD11 ' E' ' 2' ' ' ILE . 0.9 OUTLIER -58.37 -60.09 4.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.143 179.638 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' F' F ' 16' ' ' TYR . . . . . 0.814 ' HB2' ' HG3' ' H' ' 28' ' ' PRO . 5.9 p90 -69.73 -18.59 63.53 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.766 -179.448 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 17' ' ' LEU . . . . . 0.614 ' HG ' ' NE2' ' H' ' 5' ' ' HIS . 4.8 tt -69.2 -38.62 78.69 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 178.856 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 72.8 t -70.86 -42.38 77.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.55 178.236 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 19' ' ' CYS . . . . . 0.434 ' HB3' ' HB2' ' F' ' 22' ' ' ARG . 79.1 m -62.43 -33.6 75.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.076 179.108 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.98 -102.93 1.05 Allowed Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.923 -0.58 . . . . 0.0 112.685 179.208 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 21' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -86.2 -4.64 59.21 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.203 0.525 . . . . 0.0 110.408 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 22' ' ' ARG . . . . . 0.434 ' HB2' ' HB3' ' F' ' 19' ' ' CYS . 67.7 mtt85 -97.63 157.12 16.21 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.539 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 23' ' ' GLY . . . . . 0.858 ' HA2' ' HD2' ' H' ' 28' ' ' PRO . . . -102.94 -160.08 25.53 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.78 -0.724 . . . . 0.0 111.834 179.713 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 24' ' ' PHE . . . . . 0.855 ' HZ ' HG13 ' F' ' 12' ' ' VAL . 6.1 p90 -171.75 -176.08 1.68 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 25' ' ' PHE . . . . . . . . . . . . . 9.3 p90 -125.28 151.31 46.13 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 178.67 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 26' ' ' TYR . . . . . 0.435 ' OH ' ' HA3' ' F' ' 8' ' ' GLY . 72.7 t80 -146.06 119.1 8.79 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.623 -0.431 . . . . 0.0 111.37 -179.28 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 27' ' ' THR . . . . . 0.733 HG22 ' HA3' ' H' ' 23' ' ' GLY . 7.6 p -123.28 99.38 40.27 Favored Pre-proline 0 C--N 1.319 -0.727 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.816 178.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 28' ' ' PRO . . . . . 0.889 ' HD2' ' HA2' ' H' ' 23' ' ' GLY . 74.2 Cg_endo -74.59 56.13 3.92 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 123.081 2.521 . . . . 0.0 113.948 -178.529 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 29' ' ' LYS . . . . . . . . . . . . . 4.9 ttpm? -125.31 -108.7 0.32 Allowed 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 178.53 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 30' ' ' THR . . . . . . . . . . . . . 59.8 m . . . . . 0 C--O 1.252 1.217 0 CA-C-O 117.465 -1.255 . . . . 0.0 107.668 178.812 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' G' G ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.921 0 N-CA-C 111.728 -0.549 . . . . 0.0 111.728 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' G' G ' 2' ' ' ILE . . . . . 0.741 HD11 HD11 ' H' ' 15' ' ' LEU . 6.0 tt -149.09 -40.05 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 120.895 0.379 . . . . 0.0 111.061 -179.709 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' G' G ' 3' ' ' VAL . . . . . 0.458 HG11 ' HG3' ' H' ' 4' ' ' GLN . 53.3 t -62.24 -71.97 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.579 -179.303 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' G' G ' 4' ' ' GLU . . . . . . . . . . . . . 72.2 tt0 -61.2 -33.93 74.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.716 0.293 . . . . 0.0 110.839 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 5' ' ' GLN . . . . . 0.604 ' HG2' ' SG ' ' G' ' 11' ' ' CYS . 17.2 tt0 -53.01 -42.28 65.48 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.105 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' G' G ' 6' ' ' CYS . . . . . . . . . . . . . 74.1 m -99.56 -28.97 12.97 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 -179.275 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 7' ' ' CYS . . . . . 0.797 ' HB2' HD11 ' H' ' 11' ' ' LEU . 47.3 t -81.54 45.3 0.86 Allowed 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 121.501 0.667 . . . . 0.0 111.197 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' G' G ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -134.07 -63.03 0.74 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.473 178.383 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' G' G ' 9' ' ' SER . . . . . 0.47 ' O ' ' HB ' ' G' ' 10' ' ' ILE . 8.3 t -143.66 24.76 1.69 Allowed 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.046 179.388 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' G' G ' 10' ' ' ILE . . . . . 0.539 HG21 ' CD2' ' D' ' 5' ' ' HIS . 1.9 mp 71.89 145.05 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.23 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' G' G ' 11' ' ' CYS . . . . . 0.604 ' SG ' ' HG2' ' G' ' 5' ' ' GLN . 74.1 m -100.28 166.97 10.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.767 0.317 . . . . 0.0 110.33 179.548 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' G' G ' 12' ' ' SER . . . . . . . . . . . . . 13.3 t -74.09 156.65 37.2 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 179.064 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 13' ' ' LEU . . . . . . . . . . . . . 10.1 tt -58.95 -56.79 17.77 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.735 -178.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -66.06 -14.7 62.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.591 0.234 . . . . 0.0 111.514 -179.039 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -79.36 -23.97 43.01 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 179.477 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 16' ' ' LEU . . . . . 0.493 HD22 ' HG ' ' H' ' 15' ' ' LEU . 97.6 mt -80.3 -27.24 38.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.075 0.465 . . . . 0.0 109.908 178.846 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' G' G ' 17' ' ' GLU . . . . . 0.703 ' HA ' ' SG ' ' G' ' 20' ' ' CYS . 0.8 OUTLIER -62.45 -19.46 63.53 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.044 179.155 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' G' G ' 18' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -62.77 -19.64 64.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.251 178.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 19' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -111.45 1.46 16.98 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 -177.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 20' ' ' CYS . . . . . 0.703 ' SG ' ' HA ' ' G' ' 17' ' ' GLU . 84.2 m -73.7 140.5 46.08 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.934 0.397 . . . . 0.0 111.315 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' G' G ' 21' ' ' ASN . . . . . . . . . . . . . 47.8 m-20 . . . . . 0 C--O 1.249 1.031 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.893 179.721 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' H' H ' 1' ' ' PHE . . . . . . . . . . . . . 6.1 p90 . . . . . 0 N--CA 1.483 1.182 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' H' H ' 2' ' ' VAL . . . . . 0.414 ' HB ' HD11 ' K' ' 10' ' ' ILE . 16.7 m -117.78 175.9 3.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 C-N-CA 120.2 -0.6 . . . . 0.0 110.947 179.549 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' H' H ' 3' ' ' ASN . . . . . 0.518 ' H ' ' CD1' ' K' ' 10' ' ' ILE . 59.6 t30 -106.79 -179.53 3.97 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.985 -178.633 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' H' H ' 4' ' ' GLN . . . . . 0.658 ' HA ' ' HB3' ' H' ' 7' ' ' CYS . 0.2 OUTLIER -49.55 -29.83 7.58 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 123.818 0.847 . . . . 0.0 111.733 179.348 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' H' H ' 5' ' ' HIS . . . . . 0.614 ' NE2' ' HG ' ' F' ' 17' ' ' LEU . 43.8 t60 -57.4 -20.37 29.39 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.89 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' H' H ' 6' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' H' ' 6' ' ' LEU . 29.6 mt -120.78 -21.01 6.79 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.268 0.556 . . . . 0.0 110.17 178.825 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' H' H ' 7' ' ' CYS . . . . . 0.658 ' HB3' ' HA ' ' H' ' 4' ' ' GLN . 29.7 t -73.88 -36.53 64.81 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.101 -179.697 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' H' H ' 8' ' ' GLY . . . . . 0.429 ' HA3' ' OH ' ' H' ' 26' ' ' TYR . . . -52.15 -50.16 47.04 Favored Glycine 0 C--O 1.228 -0.245 0 N-CA-C 114.59 0.596 . . . . 0.0 114.59 -179.114 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' H' H ' 9' ' ' SER . . . . . 0.587 ' OG ' ' HB3' ' F' ' 13' ' ' GLU . 29.2 t -50.2 -44.34 53.01 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -178.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' H' H ' 10' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -70.67 -17.59 62.84 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.964 -0.562 . . . . 0.0 112.209 -178.437 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 11' ' ' LEU . . . . . 0.797 HD11 ' HB2' ' G' ' 7' ' ' CYS . 11.9 mt -87.8 -34.76 18.16 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 107.237 -1.394 . . . . 0.0 107.237 176.305 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' H' H ' 12' ' ' VAL . . . . . 1.088 HG11 HG11 ' F' ' 12' ' ' VAL . 50.7 t -66.34 -47.43 84.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 114.359 -1.292 . . . . 0.0 112.24 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' H' H ' 13' ' ' GLU . . . . . 0.577 ' HB3' ' OG ' ' F' ' 9' ' ' SER . 13.7 pt-20 -54.53 -40.57 68.78 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.585 0.231 . . . . 0.0 111.349 -178.77 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' H' H ' 14' ' ' ALA . . . . . 0.403 ' O ' HG23 ' H' ' 18' ' ' VAL . . . -79.31 -31.07 43.11 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.908 0.385 . . . . 0.0 110.055 178.591 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' H' H ' 15' ' ' LEU . . . . . 0.741 HD11 HD11 ' G' ' 2' ' ' ILE . 0.9 OUTLIER -58.17 -60.19 4.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.186 179.882 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' H' H ' 16' ' ' TYR . . . . . 0.761 ' HB2' ' HG3' ' F' ' 28' ' ' PRO . 5.7 p90 -69.77 -18.3 63.48 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 120.353 -0.539 . . . . 0.0 110.91 -179.443 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' H' H ' 17' ' ' LEU . . . . . 0.606 ' HG ' ' NE2' ' F' ' 5' ' ' HIS . 4.7 tt -69.41 -38.82 78.1 Favored 'General case' 0 C--O 1.23 0.069 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 178.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' H' H ' 18' ' ' VAL . . . . . 0.403 HG23 ' O ' ' H' ' 14' ' ' ALA . 69.3 t -70.37 -42.65 78.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.539 178.182 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' H' H ' 19' ' ' CYS . . . . . 0.427 ' HB3' ' HB2' ' H' ' 22' ' ' ARG . 85.7 m -62.38 -32.76 73.62 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.209 179.199 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' H' H ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.37 -101.26 0.81 Allowed Glycine 0 N--CA 1.449 -0.438 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.948 178.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 21' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -88.88 -0.71 57.62 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.114 0.483 . . . . 0.0 110.372 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 22' ' ' ARG . . . . . 0.427 ' HB2' ' HB3' ' H' ' 19' ' ' CYS . 69.5 mtt85 -102.19 156.07 17.8 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.091 179.735 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' H' H ' 23' ' ' GLY . . . . . 0.889 ' HA2' ' HD2' ' F' ' 28' ' ' PRO . . . -101.26 -159.6 27.2 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.091 179.537 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' H' H ' 24' ' ' PHE . . . . . 0.862 ' HZ ' HG13 ' H' ' 12' ' ' VAL . 5.8 p90 -172.25 -176.18 1.56 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' H' H ' 25' ' ' PHE . . . . . . . . . . . . . 9.0 p90 -125.08 151.43 45.67 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 178.776 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 26' ' ' TYR . . . . . 0.429 ' OH ' ' HA3' ' H' ' 8' ' ' GLY . 71.6 t80 -146.29 118.96 8.57 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.445 -179.261 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' H' H ' 27' ' ' THR . . . . . 0.721 HG22 ' HA3' ' F' ' 23' ' ' GLY . 6.8 p -123.63 99.42 39.09 Favored Pre-proline 0 C--N 1.318 -0.78 0 CA-C-N 116.187 -0.461 . . . . 0.0 109.856 178.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' H' H ' 28' ' ' PRO . . . . . 0.858 ' HD2' ' HA2' ' F' ' 23' ' ' GLY . 65.5 Cg_endo -74.26 55.29 3.5 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 123.185 2.59 . . . . 0.0 113.731 -178.322 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' H' H ' 29' ' ' LYS . . . . . . . . . . . . . 4.6 ttpm? -124.78 -109.87 0.32 Allowed 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 178.461 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 30' ' ' THR . . . . . . . . . . . . . 60.6 m . . . . . 0 C--O 1.251 1.165 0 CA-C-O 117.631 -1.176 . . . . 0.0 108.009 179.176 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' I' I ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.89 0 N-CA-C 112.227 -0.349 . . . . 0.0 112.227 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' I' I ' 2' ' ' ILE . . . . . 0.722 HD11 HD11 ' J' ' 15' ' ' LEU . 5.5 tt -151.13 -39.53 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-O 120.947 0.403 . . . . 0.0 110.978 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' I' I ' 3' ' ' VAL . . . . . 0.471 HG11 ' HG3' ' J' ' 4' ' ' GLN . 51.9 t -63.04 -71.83 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.449 -179.448 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' I' I ' 4' ' ' GLU . . . . . . . . . . . . . 72.1 tt0 -60.65 -34.8 74.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.718 0.294 . . . . 0.0 110.72 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 5' ' ' GLN . . . . . 0.601 ' HG2' ' SG ' ' I' ' 11' ' ' CYS . 17.5 tt0 -52.86 -41.79 64.62 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.255 179.586 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' I' I ' 6' ' ' CYS . . . . . . . . . . . . . 73.7 m -100.03 -29.17 12.69 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 -179.399 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 7' ' ' CYS . . . . . 0.812 ' HB2' HD11 ' J' ' 11' ' ' LEU . 49.0 t -81.48 45.43 0.87 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.725 0.774 . . . . 0.0 111.168 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' I' I ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -134.08 -61.49 0.79 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.879 178.428 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' I' I ' 9' ' ' SER . . . . . 0.464 ' O ' ' HB ' ' I' ' 10' ' ' ILE . 8.6 t -146.01 25.03 1.3 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.843 179.471 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' I' I ' 10' ' ' ILE . . . . . 0.517 ' CD1' ' H ' ' B' ' 3' ' ' ASN . 2.0 mp 71.28 143.88 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.551 179.716 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' I' I ' 11' ' ' CYS . . . . . 0.601 ' SG ' ' HG2' ' I' ' 5' ' ' GLN . 71.7 m -96.8 171.61 8.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.867 0.365 . . . . 0.0 110.717 179.473 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' I' I ' 12' ' ' SER . . . . . . . . . . . . . 23.2 t -78.66 158.16 28.46 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 178.766 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 13' ' ' LEU . . . . . . . . . . . . . 10.1 tt -59.91 -56.76 17.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.43 -179.169 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -65.54 -16.17 63.42 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.653 0.242 . . . . 0.0 111.653 -179.159 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -77.67 -24.27 49.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.904 0.383 . . . . 0.0 110.01 179.341 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 16' ' ' LEU . . . . . 0.476 HD22 ' HG ' ' J' ' 15' ' ' LEU . 97.8 mt -80.35 -26.65 38.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.226 0.536 . . . . 0.0 110.02 178.873 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' I' I ' 17' ' ' GLU . . . . . 0.678 ' HA ' ' SG ' ' I' ' 20' ' ' CYS . 0.8 OUTLIER -63.11 -18.98 64.0 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.024 179.23 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' I' I ' 18' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -64.63 -15.1 60.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.411 179.166 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 19' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -115.69 1.12 13.43 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 -178.033 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 20' ' ' CYS . . . . . 0.678 ' SG ' ' HA ' ' I' ' 17' ' ' GLU . 81.1 m -73.42 140.08 46.29 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.865 0.364 . . . . 0.0 111.163 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' I' I ' 21' ' ' ASN . . . . . . . . . . . . . 44.8 m-20 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.747 -0.644 . . . . 0.0 109.85 179.803 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' J' J ' 1' ' ' PHE . . . . . . . . . . . . . 6.2 p90 . . . . . 0 N--CA 1.483 1.186 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' J' J ' 2' ' ' VAL . . . . . . . . . . . . . 16.4 m -116.9 176.57 2.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 C-N-CA 120.174 -0.611 . . . . 0.0 111.08 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' J' J ' 3' ' ' ASN . . . . . 0.489 ' H ' ' CD1' ' E' ' 10' ' ' ILE . 61.8 t30 -107.5 -179.67 3.98 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.964 -178.628 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' J' J ' 4' ' ' GLN . . . . . 0.674 ' HA ' ' HB3' ' J' ' 7' ' ' CYS . 0.2 OUTLIER -49.65 -29.04 6.62 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.874 0.869 . . . . 0.0 111.695 179.259 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' J' J ' 5' ' ' HIS . . . . . 0.621 ' NE2' ' HG ' ' L' ' 17' ' ' LEU . 46.7 t60 -58.31 -20.45 43.09 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.797 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' J' J ' 6' ' ' LEU . . . . . . . . . . . . . 29.9 mt -120.1 -21.35 7.07 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.31 0.576 . . . . 0.0 110.29 178.644 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' J' J ' 7' ' ' CYS . . . . . 0.674 ' HB3' ' HA ' ' J' ' 4' ' ' GLN . 31.8 t -73.51 -36.45 65.74 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.252 -179.703 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' J' J ' 8' ' ' GLY . . . . . 0.433 ' HA3' ' OH ' ' J' ' 26' ' ' TYR . . . -52.24 -50.45 46.39 Favored Glycine 0 N--CA 1.451 -0.329 0 CA-C-N 115.94 -0.573 . . . . 0.0 114.478 -179.084 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' J' J ' 9' ' ' SER . . . . . 0.574 ' CB ' ' HB3' ' L' ' 13' ' ' GLU . 30.0 t -49.77 -44.48 48.83 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -179.12 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' J' J ' 10' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -70.76 -17.5 62.79 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.055 -0.521 . . . . 0.0 112.266 -178.355 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' J' J ' 11' ' ' LEU . . . . . 0.812 HD11 ' HB2' ' I' ' 7' ' ' CYS . 11.8 mt -87.71 -34.75 18.28 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 107.222 -1.399 . . . . 0.0 107.222 176.393 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' J' J ' 12' ' ' VAL . . . . . 1.04 HG11 HG11 ' L' ' 12' ' ' VAL . 51.1 t -66.43 -47.24 84.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 CA-C-N 114.404 -1.271 . . . . 0.0 112.181 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' J' J ' 13' ' ' GLU . . . . . 0.601 ' HB3' ' OG ' ' L' ' 9' ' ' SER . 16.0 pt-20 -54.83 -40.03 69.15 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.587 0.232 . . . . 0.0 111.417 -178.816 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' J' J ' 14' ' ' ALA . . . . . . . . . . . . . . . -80.0 -30.96 39.73 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.922 0.392 . . . . 0.0 110.143 178.565 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' J' J ' 15' ' ' LEU . . . . . 0.722 HD11 HD11 ' I' ' 2' ' ' ILE . 0.9 OUTLIER -57.94 -60.19 4.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.296 179.673 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' J' J ' 16' ' ' TYR . . . . . 0.786 ' HB2' ' HG3' ' L' ' 28' ' ' PRO . 6.2 p90 -69.67 -18.61 63.58 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.836 -179.471 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' J' J ' 17' ' ' LEU . . . . . 0.621 ' HG ' ' NE2' ' L' ' 5' ' ' HIS . 4.6 tt -69.15 -39.31 78.9 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 178.821 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 69.4 t -69.68 -43.11 80.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.603 178.097 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' J' J ' 19' ' ' CYS . . . . . 0.455 ' HB3' ' HB2' ' J' ' 22' ' ' ARG . 85.9 m -61.72 -34.56 76.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.026 179.172 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' J' J ' 20' ' ' GLY . . . . . . . . . . . . . . . 70.82 -101.32 0.92 Allowed Glycine 0 C--N 1.332 0.324 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.885 179.085 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' J' J ' 21' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -88.44 -2.49 58.63 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.222 0.534 . . . . 0.0 110.254 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' J' J ' 22' ' ' ARG . . . . . 0.455 ' HB2' ' HB3' ' J' ' 19' ' ' CYS . 66.5 mtt85 -99.73 157.15 16.69 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.15 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' J' J ' 23' ' ' GLY . . . . . 0.876 ' HA2' ' HD2' ' L' ' 28' ' ' PRO . . . -102.94 -159.34 25.47 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.557 -0.83 . . . . 0.0 111.889 179.504 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' J' J ' 24' ' ' PHE . . . . . 0.878 ' HZ ' HG13 ' J' ' 12' ' ' VAL . 5.9 p90 -172.2 -175.62 1.46 Allowed 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' J' J ' 25' ' ' PHE . . . . . . . . . . . . . 9.3 p90 -125.75 151.2 47.01 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 178.765 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' J' J ' 26' ' ' TYR . . . . . 0.433 ' OH ' ' HA3' ' J' ' 8' ' ' GLY . 72.1 t80 -146.12 119.06 8.72 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.669 -0.413 . . . . 0.0 111.375 -179.309 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' J' J ' 27' ' ' THR . . . . . 0.727 HG22 ' HA3' ' L' ' 23' ' ' GLY . 7.3 p -123.6 99.45 39.16 Favored Pre-proline 0 C--N 1.32 -0.695 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 178.715 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' J' J ' 28' ' ' PRO . . . . . 0.869 ' HD2' ' HA2' ' L' ' 23' ' ' GLY . 64.9 Cg_endo -74.11 54.56 3.23 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 123.179 2.586 . . . . 0.0 113.768 -178.327 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' J' J ' 29' ' ' LYS . . . . . . . . . . . . . 4.7 ttpm? -123.68 -110.23 0.32 Allowed 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 178.63 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' J' J ' 30' ' ' THR . . . . . . . . . . . . . 91.0 m . . . . . 0 C--O 1.254 1.315 0 CA-C-O 117.654 -1.165 . . . . 0.0 107.957 178.972 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.668 0 N-CA-C 111.767 -0.533 . . . . 0.0 111.767 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' K' K ' 2' ' ' ILE . . . . . 0.695 HD11 HD11 ' L' ' 15' ' ' LEU . 5.3 tt -152.72 -39.29 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.842 0.353 . . . . 0.0 110.987 179.64 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' K' K ' 3' ' ' VAL . . . . . 0.464 HG11 ' HG3' ' L' ' 4' ' ' GLN . 53.5 t -62.96 -71.81 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.356 -179.373 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' K' K ' 4' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -60.85 -35.05 75.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.704 0.288 . . . . 0.0 110.783 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' K' K ' 5' ' ' GLN . . . . . 0.601 ' HG2' ' SG ' ' K' ' 11' ' ' CYS . 16.8 tt0 -51.63 -42.78 62.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.143 179.452 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' K' K ' 6' ' ' CYS . . . . . . . . . . . . . 73.6 m -99.4 -28.59 13.2 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -179.133 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' K' K ' 7' ' ' CYS . . . . . 0.805 ' HB2' HD11 ' L' ' 11' ' ' LEU . 49.8 t -82.06 45.38 0.92 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.537 0.684 . . . . 0.0 111.133 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' K' K ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -134.12 -62.65 0.75 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.605 178.314 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' K' K ' 9' ' ' SER . . . . . 0.463 ' O ' ' HB ' ' K' ' 10' ' ' ILE . 10.7 t -144.08 24.5 1.63 Allowed 'General case' 0 C--O 1.238 0.485 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 179.437 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' K' K ' 10' ' ' ILE . . . . . 0.542 HG21 ' CD2' ' H' ' 5' ' ' HIS . 2.0 mp 71.63 143.99 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.489 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' K' K ' 11' ' ' CYS . . . . . 0.601 ' SG ' ' HG2' ' K' ' 5' ' ' GLN . 75.5 m -98.41 167.2 10.98 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 120.901 0.382 . . . . 0.0 110.82 179.499 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' K' K ' 12' ' ' SER . . . . . . . . . . . . . 17.2 t -74.0 156.97 36.99 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 178.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' K' K ' 13' ' ' LEU . . . . . . . . . . . . . 10.0 tt -59.52 -56.69 18.83 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.682 -178.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -65.56 -16.01 63.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.563 0.22 . . . . 0.0 111.357 -179.123 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -78.18 -23.71 47.5 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-O 120.977 0.418 . . . . 0.0 110.25 179.466 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' K' K ' 16' ' ' LEU . . . . . 0.467 HD22 ' HG ' ' L' ' 15' ' ' LEU . 97.0 mt -80.28 -26.82 38.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.991 178.673 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' K' K ' 17' ' ' GLU . . . . . 0.69 ' HA ' ' SG ' ' K' ' 20' ' ' CYS . 0.7 OUTLIER -63.33 -18.67 63.88 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.007 179.264 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' K' K ' 18' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -64.08 -18.07 64.03 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.164 179.059 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' K' K ' 19' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -112.6 1.17 15.68 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -178.033 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' K' K ' 20' ' ' CYS . . . . . 0.69 ' SG ' ' HA ' ' K' ' 17' ' ' GLU . 81.6 m -73.13 140.07 46.84 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.949 0.404 . . . . 0.0 111.37 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' K' K ' 21' ' ' ASN . . . . . . . . . . . . . 43.1 m-20 . . . . . 0 C--O 1.246 0.884 0 CA-C-O 118.517 -0.754 . . . . 0.0 110.226 179.659 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' L' L ' 1' ' ' PHE . . . . . . . . . . . . . 6.2 p90 . . . . . 0 N--CA 1.482 1.153 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' L' L ' 2' ' ' VAL . . . . . 0.4 ' HB ' HD11 ' C' ' 10' ' ' ILE . 16.4 m -118.21 175.41 3.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 C-N-CA 120.38 -0.528 . . . . 0.0 110.889 179.627 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' L' L ' 3' ' ' ASN . . . . . 0.503 ' H ' ' CD1' ' C' ' 10' ' ' ILE . 60.8 t30 -106.56 -179.72 4.02 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.094 -178.514 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' L' L ' 4' ' ' GLN . . . . . 0.68 ' HA ' ' HB3' ' L' ' 7' ' ' CYS . 0.2 OUTLIER -49.63 -29.32 7.03 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 123.717 0.807 . . . . 0.0 111.827 179.344 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' L' L ' 5' ' ' HIS . . . . . 0.621 ' NE2' ' HG ' ' J' ' 17' ' ' LEU . 47.0 t60 -57.81 -20.62 37.11 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.793 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' L' L ' 6' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' L' ' 6' ' ' LEU . 30.4 mt -120.23 -21.67 6.87 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.28 0.562 . . . . 0.0 110.203 178.775 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' L' L ' 7' ' ' CYS . . . . . 0.68 ' HB3' ' HA ' ' L' ' 4' ' ' GLN . 28.2 t -73.26 -36.3 66.35 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.103 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' L' L ' 8' ' ' GLY . . . . . 0.422 ' HA3' ' OH ' ' L' ' 26' ' ' TYR . . . -52.31 -50.34 47.28 Favored Glycine 0 C--O 1.227 -0.292 0 CA-C-N 116.018 -0.537 . . . . 0.0 114.424 -179.116 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' L' L ' 9' ' ' SER . . . . . 0.601 ' OG ' ' HB3' ' J' ' 13' ' ' GLU . 31.6 t -49.85 -44.56 49.72 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.175 0.512 . . . . 0.0 112.309 -179.113 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' L' L ' 10' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -70.73 -17.14 62.81 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.293 -178.243 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' L' L ' 11' ' ' LEU . . . . . 0.805 HD11 ' HB2' ' K' ' 7' ' ' CYS . 12.4 mt -87.91 -35.16 17.86 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 107.156 -1.424 . . . . 0.0 107.156 176.258 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' L' L ' 12' ' ' VAL . . . . . 1.04 HG11 HG11 ' J' ' 12' ' ' VAL . 52.2 t -66.03 -47.44 85.05 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-N 114.49 -1.232 . . . . 0.0 112.19 -179.705 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' L' L ' 13' ' ' GLU . . . . . 0.574 ' HB3' ' CB ' ' J' ' 9' ' ' SER . 14.3 pt-20 -54.42 -40.9 68.73 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.621 0.248 . . . . 0.0 111.369 -178.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' L' L ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.07 -31.04 44.27 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.854 0.359 . . . . 0.0 110.213 178.405 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' L' L ' 15' ' ' LEU . . . . . 0.695 HD11 HD11 ' K' ' 2' ' ' ILE . 0.9 OUTLIER -58.07 -60.16 4.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.241 179.534 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' L' L ' 16' ' ' TYR . . . . . 0.783 ' HB2' ' HG3' ' J' ' 28' ' ' PRO . 6.1 p90 -69.92 -18.23 63.37 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.416 -0.514 . . . . 0.0 110.888 -179.308 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' L' L ' 17' ' ' LEU . . . . . 0.621 ' HG ' ' NE2' ' J' ' 5' ' ' HIS . 4.8 tt -69.43 -38.54 77.89 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 178.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 72.2 t -70.69 -43.26 77.56 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 CA-C-N 115.734 -0.667 . . . . 0.0 109.395 178.192 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' L' L ' 19' ' ' CYS . . . . . 0.417 ' HB3' ' HB2' ' L' ' 22' ' ' ARG . 84.1 m -61.98 -31.53 71.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.314 179.062 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' L' L ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.86 -101.67 0.75 Allowed Glycine 0 N--CA 1.451 -0.36 0 CA-C-N 115.987 -0.551 . . . . 0.0 113.27 179.213 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' L' L ' 21' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -87.07 -5.08 59.17 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.172 0.511 . . . . 0.0 110.324 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' L' L ' 22' ' ' ARG . . . . . 0.417 ' HB2' ' HB3' ' L' ' 19' ' ' CYS . 67.3 mtt85 -97.7 158.17 15.65 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.449 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' L' L ' 23' ' ' GLY . . . . . 0.869 ' HA2' ' HD2' ' J' ' 28' ' ' PRO . . . -103.92 -159.86 24.57 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.833 -0.699 . . . . 0.0 111.931 179.631 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' L' L ' 24' ' ' PHE . . . . . 0.877 ' HZ ' HG13 ' L' ' 12' ' ' VAL . 6.0 p90 -171.74 -175.55 1.57 Allowed 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.8 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' L' L ' 25' ' ' PHE . . . . . . . . . . . . . 9.4 p90 -125.75 150.51 47.68 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 178.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' L' L ' 26' ' ' TYR . . . . . 0.422 ' OH ' ' HA3' ' L' ' 8' ' ' GLY . 72.2 t80 -145.21 119.69 9.68 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.7 -0.4 . . . . 0.0 111.248 -179.336 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' L' L ' 27' ' ' THR . . . . . 0.741 HG22 ' HA3' ' J' ' 23' ' ' GLY . 6.6 p -124.11 99.28 37.74 Favored Pre-proline 0 C--N 1.321 -0.674 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.847 178.781 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' L' L ' 28' ' ' PRO . . . . . 0.876 ' HD2' ' HA2' ' J' ' 23' ' ' GLY . 65.2 Cg_endo -74.42 55.63 3.68 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 123.215 2.61 . . . . 0.0 113.794 -178.525 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' L' L ' 29' ' ' LYS . . . . . . . . . . . . . 4.7 ttpm? . . . . . 0 C--N 1.322 -0.601 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 178.56 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.352 0 N-CA-C 112.191 -0.364 . . . . 0.0 112.191 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.7 tt -164.6 -38.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 120.999 0.428 . . . . 0.0 110.615 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.417 ' CG1' ' HG3' ' B' ' 4' ' ' GLN . 97.7 t -65.7 -48.22 83.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.404 0.621 . . . . 0.0 110.609 179.563 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.521 ' H ' ' CD ' ' A' ' 4' ' ' GLU . 0.4 OUTLIER -68.22 -18.77 64.66 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.453 -179.713 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.491 ' HG2' ' SG ' ' A' ' 11' ' ' CYS . 36.4 tt0 -98.69 -39.98 8.4 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 -177.574 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 84.2 m -104.21 -35.53 7.98 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 114.226 1.195 . . . . 0.0 114.226 -177.067 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.637 ' HB2' HD11 ' B' ' 11' ' ' LEU . 52.1 t -73.3 -13.15 61.07 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 121.827 -0.546 . . . . 0.0 111.094 -178.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.15 -61.08 1.92 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.123 179.472 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.465 ' O ' ' HB ' ' A' ' 10' ' ' ILE . 70.7 m -151.1 31.57 0.61 Allowed 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.477 HG12 ' HB3' ' F' ' 5' ' ' HIS . 1.7 mp 72.63 145.23 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 178.709 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.491 ' SG ' ' HG2' ' A' ' 5' ' ' GLN . 95.8 m -104.85 171.97 7.04 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.596 179.3 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.7 m -81.06 168.01 19.12 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.698 0.285 . . . . 0.0 110.447 178.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.441 ' HG ' ' CG1' ' B' ' 18' ' ' VAL . 10.1 tt -57.39 -54.08 50.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.941 -178.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -69.49 -17.62 63.62 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -178.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -70.7 -36.91 73.51 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 178.467 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.438 ' HB3' HD23 ' B' ' 15' ' ' LEU . 89.8 mt -71.98 -31.45 66.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.545 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -62.36 -22.03 65.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.295 -179.444 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 32.2 m120 -70.54 -10.33 58.96 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.535 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -104.41 3.6 32.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.655 0.264 . . . . 0.0 110.852 -179.542 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 68.4 m -67.99 161.06 27.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.248 0.547 . . . . 0.0 112.1 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 52.4 m-20 . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.096 -0.954 . . . . 0.0 109.771 179.2 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 54.9 t80 . . . . . 0 N--CA 1.483 1.193 0 N-CA-C 111.207 0.077 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 28.2 m 46.54 -147.28 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 124.072 0.949 . . . . 0.0 112.613 -179.298 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -159.85 -172.46 3.66 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -178.736 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 4' ' ' GLN . . . . . 0.818 ' HA ' ' HB3' ' B' ' 7' ' ' CYS . 19.4 tm0? -56.55 -25.38 51.93 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 122.671 0.389 . . . . 0.0 110.199 179.285 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 5' ' ' HIS . . . . . 0.506 ' NE2' ' HG ' ' D' ' 17' ' ' LEU . 35.0 t60 -58.63 -18.31 29.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.263 179.372 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 35.8 mt -127.13 -8.0 5.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.278 0.561 . . . . 0.0 110.288 178.482 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' CYS . . . . . 0.818 ' HB3' ' HA ' ' B' ' 4' ' ' GLN . 5.4 t -89.76 -43.97 10.31 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.854 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 8' ' ' GLY . . . . . 0.549 ' HA2' HD12 ' B' ' 11' ' ' LEU . . . -62.67 -27.7 70.3 Favored Glycine 0 N--CA 1.45 -0.389 0 CA-C-N 116.149 -0.478 . . . . 0.0 113.302 -179.472 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 9' ' ' SER . . . . . 0.864 ' HB2' ' HG2' ' D' ' 13' ' ' GLU . 38.8 p -62.03 -24.7 67.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.935 0.398 . . . . 0.0 111.313 -179.353 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 10' ' ' HIS . . . . . 0.469 ' HA ' ' HG3' ' B' ' 13' ' ' GLU . 98.4 m-70 -99.23 -17.51 18.08 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.879 0.371 . . . . 0.0 111.193 -179.122 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.637 HD11 ' HB2' ' A' ' 7' ' ' CYS . 52.9 mt -71.09 -40.32 71.61 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 177.865 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.581 ' HA ' HD12 ' B' ' 15' ' ' LEU . 3.1 m -68.59 -27.26 35.62 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-N 115.039 -0.982 . . . . 0.0 111.904 179.578 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.868 ' HG2' ' HB2' ' D' ' 9' ' ' SER . 39.8 mt-10 -59.98 -46.88 88.01 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-O 121.458 0.647 . . . . 0.0 109.774 179.425 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.35 -26.59 52.15 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.375 179.071 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.581 HD12 ' HA ' ' B' ' 12' ' ' VAL . 12.8 mt -55.28 -57.43 11.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.977 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 16' ' ' TYR . . . . . 1.032 ' HB3' ' HE2' ' B' ' 24' ' ' PHE . 18.5 p90 -74.34 -27.21 60.58 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 119.89 -0.724 . . . . 0.0 111.393 -179.091 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.512 ' HG ' ' NE2' ' D' ' 5' ' ' HIS . 7.2 tt -67.1 -51.4 54.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.169 179.745 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.441 ' CG1' ' HG ' ' A' ' 13' ' ' LEU . 77.7 t -70.7 -35.95 62.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.141 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 37.9 t -66.25 -23.21 66.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.82 0.343 . . . . 0.0 111.24 -179.498 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.53 25.8 27.0 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.346 -0.931 . . . . 0.0 111.957 179.723 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 64.43 24.39 13.16 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.983 0.734 . . . . 0.0 112.983 179.24 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 65.0 mtt180 -70.45 -39.2 74.46 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.825 0.822 . . . . 0.0 108.896 178.3 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' GLY . . . . . 0.724 ' HA3' HG22 ' D' ' 27' ' ' THR . . . 127.7 162.29 11.05 Favored Glycine 0 N--CA 1.441 -1.003 0 CA-C-N 114.393 -1.276 . . . . 0.0 110.319 -178.636 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 24' ' ' PHE . . . . . 1.032 ' HE2' ' HB3' ' B' ' 16' ' ' TYR . 37.5 p90 -165.02 173.77 11.18 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 117.298 0.549 . . . . 0.0 110.512 -179.646 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 5.2 p90 -126.36 139.54 53.2 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.373 178.751 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -131.18 104.37 7.03 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' THR . . . . . 0.748 HG22 ' HA3' ' D' ' 23' ' ' GLY . 7.5 p -122.82 95.45 46.37 Favored Pre-proline 0 C--N 1.318 -0.762 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.808 -179.179 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -80.81 40.05 0.94 Allowed 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.946 2.431 . . . . 0.0 111.3 179.373 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -128.13 90.74 3.14 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.816 -1.084 . . . . 0.0 109.504 -179.136 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 13.1 t . . . . . 0 C--O 1.246 0.883 0 CA-C-O 118.84 -0.6 . . . . 0.0 109.568 -179.054 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.462 0 N-CA-C 112.092 -0.403 . . . . 0.0 112.092 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 9.4 tt -167.41 -37.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-O 120.763 0.316 . . . . 0.0 110.762 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 3' ' ' VAL . . . . . 0.438 ' CG1' ' HG3' ' D' ' 4' ' ' GLN . 90.6 t -66.97 -46.88 83.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.382 0.61 . . . . 0.0 110.936 179.369 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 4' ' ' GLU . . . . . 0.534 ' H ' ' CD ' ' C' ' 4' ' ' GLU . 0.4 OUTLIER -68.94 -20.88 64.21 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.001 -179.782 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 5' ' ' GLN . . . . . 0.473 ' HG2' ' SG ' ' C' ' 11' ' ' CYS . 17.9 tt0 -96.71 -40.18 9.1 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -177.459 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 84.4 m -103.89 -35.49 8.14 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 114.28 1.215 . . . . 0.0 114.28 -176.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 7' ' ' CYS . . . . . 0.65 ' HB2' HD11 ' D' ' 11' ' ' LEU . 52.6 t -73.23 -13.46 61.15 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.471 -0.492 . . . . 0.0 111.103 -179.045 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.97 -59.87 2.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.257 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 9' ' ' SER . . . . . 0.477 ' O ' ' HB ' ' C' ' 10' ' ' ILE . 73.7 m -152.29 31.21 0.54 Allowed 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 111.735 0.272 . . . . 0.0 111.735 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 10' ' ' ILE . . . . . 0.477 ' HB ' ' O ' ' C' ' 9' ' ' SER . 1.7 mp 72.96 145.15 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 178.601 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 11' ' ' CYS . . . . . 0.473 ' SG ' ' HG2' ' C' ' 5' ' ' GLN . 99.1 m -104.51 172.47 6.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.426 -0.807 . . . . 0.0 110.296 179.33 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 34.0 m -81.5 169.07 17.57 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.365 178.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 13' ' ' LEU . . . . . 0.442 ' HG ' ' CG1' ' D' ' 18' ' ' VAL . 10.2 tt -58.53 -53.81 54.17 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 123.001 0.521 . . . . 0.0 111.849 -179.104 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -69.79 -16.55 63.31 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -179.045 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -71.97 -37.09 69.98 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.852 0.358 . . . . 0.0 110.124 178.528 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 16' ' ' LEU . . . . . 0.466 ' HB3' HD23 ' D' ' 15' ' ' LEU . 87.5 mt -71.92 -30.41 65.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.796 179.627 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -63.14 -21.1 65.97 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.273 -179.431 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -71.57 -9.05 57.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.323 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -105.96 4.37 29.41 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.78 0.324 . . . . 0.0 110.777 -179.421 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 67.1 m -68.99 159.97 31.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.391 0.615 . . . . 0.0 111.788 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 47.3 m-20 . . . . . 0 C--O 1.252 1.206 0 CA-C-O 118.416 -0.802 . . . . 0.0 110.015 179.232 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 57.9 t80 . . . . . 0 N--CA 1.483 1.196 0 N-CA-C 111.264 0.098 . . . . 0.0 111.264 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' D' D ' 2' ' ' VAL . . . . . 0.412 ' HB ' HD11 ' G' ' 10' ' ' ILE . 28.6 m 45.69 -146.54 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 124.059 0.944 . . . . 0.0 112.544 -179.055 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 3' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -160.45 -173.27 3.91 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 -178.453 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 4' ' ' GLN . . . . . 0.796 ' HA ' ' HB3' ' D' ' 7' ' ' CYS . 17.5 tm0? -56.4 -24.72 46.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.842 0.353 . . . . 0.0 110.204 179.572 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 5' ' ' HIS . . . . . 0.512 ' NE2' ' HG ' ' B' ' 17' ' ' LEU . 34.9 t60 -58.78 -18.49 32.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.85 -0.613 . . . . 0.0 111.301 179.376 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 6' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' D' ' 6' ' ' LEU . 35.3 mt -126.66 -9.26 6.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.262 0.554 . . . . 0.0 110.333 178.492 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 7' ' ' CYS . . . . . 0.796 ' HB3' ' HA ' ' D' ' 4' ' ' GLN . 5.9 t -88.3 -43.67 11.38 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.149 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 8' ' ' GLY . . . . . 0.538 ' HA2' HD12 ' D' ' 11' ' ' LEU . . . -62.42 -28.63 71.42 Favored Glycine 0 N--CA 1.45 -0.413 0 CA-C-N 116.059 -0.519 . . . . 0.0 113.379 -179.397 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 9' ' ' SER . . . . . 0.868 ' HB2' ' HG2' ' B' ' 13' ' ' GLU . 38.3 p -61.56 -24.83 66.91 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.947 0.403 . . . . 0.0 111.488 -179.283 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 10' ' ' HIS . . . . . 0.466 ' HA ' ' HG3' ' D' ' 13' ' ' GLU . 98.4 m-70 -99.04 -17.14 18.41 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.04 -179.229 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 11' ' ' LEU . . . . . 0.65 HD11 ' HB2' ' C' ' 7' ' ' CYS . 52.5 mt -71.61 -40.34 69.9 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 177.855 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 12' ' ' VAL . . . . . 0.593 ' HA ' HD12 ' D' ' 15' ' ' LEU . 3.2 m -68.87 -27.12 34.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.097 -0.956 . . . . 0.0 111.802 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 13' ' ' GLU . . . . . 0.864 ' HG2' ' HB2' ' B' ' 9' ' ' SER . 41.1 mt-10 -59.84 -46.69 88.48 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.327 0.584 . . . . 0.0 109.771 179.379 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.39 -26.54 51.91 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.464 179.3 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 15' ' ' LEU . . . . . 0.593 HD12 ' HA ' ' D' ' 12' ' ' VAL . 12.9 mt -55.66 -57.29 12.6 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.899 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 16' ' ' TYR . . . . . 1.064 ' HB3' ' HE2' ' D' ' 24' ' ' PHE . 18.7 p90 -74.18 -27.57 60.88 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 119.665 -0.814 . . . . 0.0 111.262 -179.058 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 17' ' ' LEU . . . . . 0.506 ' HG ' ' NE2' ' B' ' 5' ' ' HIS . 7.0 tt -67.03 -50.94 60.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.91 0.386 . . . . 0.0 110.34 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 18' ' ' VAL . . . . . 0.442 ' CG1' ' HG ' ' C' ' 13' ' ' LEU . 76.7 t -70.83 -37.15 67.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.123 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 19' ' ' CYS . . . . . . . . . . . . . 37.7 t -64.71 -24.62 67.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.32 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.33 27.45 20.43 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.37 -0.919 . . . . 0.0 111.911 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 63.07 23.3 13.89 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 179.089 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 22' ' ' ARG . . . . . . . . . . . . . 66.2 mtt180 -69.49 -41.42 76.16 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 121.995 0.902 . . . . 0.0 108.661 178.058 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 23' ' ' GLY . . . . . 0.748 ' HA3' HG22 ' B' ' 27' ' ' THR . . . 129.72 162.77 10.94 Favored Glycine 0 N--CA 1.44 -1.068 0 CA-C-N 114.325 -1.307 . . . . 0.0 110.201 -178.767 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 24' ' ' PHE . . . . . 1.064 ' HE2' ' HB3' ' D' ' 16' ' ' TYR . 37.8 p90 -164.91 174.49 10.5 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 117.134 0.467 . . . . 0.0 110.603 -179.733 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 25' ' ' PHE . . . . . . . . . . . . . 5.0 p90 -126.88 139.44 53.07 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.367 178.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 26' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -131.29 103.52 6.51 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.174 0.511 . . . . 0.0 109.74 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 27' ' ' THR . . . . . 0.724 HG22 ' HA3' ' B' ' 23' ' ' GLY . 8.4 p -121.8 95.39 47.83 Favored Pre-proline 0 C--N 1.318 -0.798 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.894 -179.334 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 28' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -81.36 43.37 1.52 Allowed 'Trans proline' 0 N--CA 1.463 -0.286 0 C-N-CA 122.727 2.285 . . . . 0.0 110.954 179.337 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -131.36 90.23 2.83 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.68 -1.146 . . . . 0.0 109.31 -178.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 14.5 t . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.756 -0.64 . . . . 0.0 109.979 -178.807 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.667 0 N-CA-C 112.215 -0.354 . . . . 0.0 112.215 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' E' E ' 2' ' ' ILE . . . . . . . . . . . . . 9.4 tt -167.45 -36.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 120.743 0.306 . . . . 0.0 110.787 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 3' ' ' VAL . . . . . 0.442 ' O ' ' HB3' ' E' ' 7' ' ' CYS . 97.4 t -67.77 -47.13 80.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.253 0.549 . . . . 0.0 110.309 179.414 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 4' ' ' GLU . . . . . 0.526 ' H ' ' CD ' ' E' ' 4' ' ' GLU . 0.4 OUTLIER -68.69 -20.23 64.41 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.38 -179.778 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' E' E ' 5' ' ' GLN . . . . . 0.521 ' HG2' ' SG ' ' E' ' 11' ' ' CYS . 17.3 tt0 -97.74 -39.89 8.83 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 -177.486 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 6' ' ' CYS . . . . . . . . . . . . . 85.9 m -103.92 -35.94 7.96 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 -176.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 7' ' ' CYS . . . . . 0.666 ' HB2' HD11 ' F' ' 11' ' ' LEU . 52.8 t -73.39 -12.47 60.83 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.546 -0.462 . . . . 0.0 111.048 -178.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.51 -59.22 2.83 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.26 179.556 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 9' ' ' SER . . . . . 0.477 ' O ' ' HB ' ' E' ' 10' ' ' ILE . 66.7 m -153.27 31.52 0.48 Allowed 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 111.844 0.313 . . . . 0.0 111.844 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 10' ' ' ILE . . . . . 0.477 ' HB ' ' O ' ' E' ' 9' ' ' SER . 1.7 mp 72.66 144.94 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 CA-C-O 121.456 0.646 . . . . 0.0 112.729 178.677 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 11' ' ' CYS . . . . . 0.521 ' SG ' ' HG2' ' E' ' 5' ' ' GLN . 98.3 m -104.1 173.01 6.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.254 -0.884 . . . . 0.0 110.194 179.422 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 12' ' ' SER . . . . . . . . . . . . . 45.7 m -83.01 168.44 16.97 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.685 0.278 . . . . 0.0 110.476 178.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 13' ' ' LEU . . . . . 0.437 ' HG ' ' CG1' ' F' ' 18' ' ' VAL . 10.1 tt -57.24 -54.18 49.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.862 -178.697 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -69.58 -17.23 63.53 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -179.08 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -70.55 -37.59 74.06 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 178.341 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 16' ' ' LEU . . . . . 0.448 ' HB3' HD23 ' F' ' 15' ' ' LEU . 86.1 mt -71.77 -30.54 65.67 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.892 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 17' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -63.29 -20.19 65.25 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.477 -179.688 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 18' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -71.97 -11.88 60.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.886 0.375 . . . . 0.0 111.116 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 19' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -103.29 5.09 37.23 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.83 0.348 . . . . 0.0 111.289 -179.479 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 20' ' ' CYS . . . . . . . . . . . . . 67.0 m -69.33 160.02 32.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.3 0.572 . . . . 0.0 111.85 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 21' ' ' ASN . . . . . . . . . . . . . 48.2 m-20 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.321 -0.847 . . . . 0.0 110.563 179.594 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' F' F ' 1' ' ' PHE . . . . . . . . . . . . . 55.6 t80 . . . . . 0 N--CA 1.484 1.254 0 N-CA-C 111.3 0.111 . . . . 0.0 111.3 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' F' F ' 2' ' ' VAL . . . . . 0.404 ' HB ' HD11 ' A' ' 10' ' ' ILE . 27.5 m 46.53 -147.36 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 124.194 0.997 . . . . 0.0 112.418 -179.247 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 3' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -159.47 -171.95 3.52 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 -178.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 4' ' ' GLN . . . . . 0.832 ' HA ' ' HB3' ' F' ' 7' ' ' CYS . 17.4 tm0? -57.42 -24.06 53.27 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 122.635 0.374 . . . . 0.0 110.162 179.477 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 5' ' ' HIS . . . . . 0.503 ' NE2' ' HG ' ' H' ' 17' ' ' LEU . 35.8 t60 -59.42 -18.05 35.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.337 179.375 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 6' ' ' LEU . . . . . 0.404 HD12 HG11 ' F' ' 2' ' ' VAL . 32.4 mt -127.26 -8.98 5.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.237 0.541 . . . . 0.0 110.132 178.629 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 7' ' ' CYS . . . . . 0.832 ' HB3' ' HA ' ' F' ' 4' ' ' GLN . 6.4 t -88.63 -43.68 11.17 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.053 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 8' ' ' GLY . . . . . 0.507 ' HA2' HD12 ' F' ' 11' ' ' LEU . . . -62.74 -28.27 71.34 Favored Glycine 0 N--CA 1.451 -0.313 0 CA-C-N 116.038 -0.528 . . . . 0.0 113.323 -179.423 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 9' ' ' SER . . . . . 0.853 ' HB2' ' HG2' ' H' ' 13' ' ' GLU . 28.8 p -61.77 -24.75 67.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.903 0.382 . . . . 0.0 111.415 -179.284 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 10' ' ' HIS . . . . . 0.48 ' HA ' ' HG3' ' F' ' 13' ' ' GLU . 98.4 m-70 -99.09 -17.2 18.34 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.854 0.359 . . . . 0.0 111.174 -179.192 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 11' ' ' LEU . . . . . 0.666 HD11 ' HB2' ' E' ' 7' ' ' CYS . 53.7 mt -71.47 -40.51 70.23 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 177.778 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 12' ' ' VAL . . . . . 0.596 ' HA ' HD12 ' F' ' 15' ' ' LEU . 2.9 m -68.37 -27.66 37.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 CA-C-N 114.975 -1.011 . . . . 0.0 111.767 179.495 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 13' ' ' GLU . . . . . 0.852 ' HG2' ' HB2' ' H' ' 9' ' ' SER . 39.8 mt-10 -59.32 -46.97 87.13 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.376 0.608 . . . . 0.0 109.849 179.274 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.47 -26.65 51.59 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.45 179.176 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 15' ' ' LEU . . . . . 0.596 HD12 ' HA ' ' F' ' 12' ' ' VAL . 12.7 mt -55.53 -57.2 12.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.974 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 16' ' ' TYR . . . . . 1.095 ' HB3' ' HE2' ' F' ' 24' ' ' PHE . 19.0 p90 -74.37 -27.58 60.72 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 119.7 -0.8 . . . . 0.0 111.254 -179.087 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 17' ' ' LEU . . . . . 0.509 ' HG ' ' NE2' ' H' ' 5' ' ' HIS . 7.2 tt -67.0 -50.41 62.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.332 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 18' ' ' VAL . . . . . 0.437 ' CG1' ' HG ' ' E' ' 13' ' ' LEU . 79.7 t -71.36 -37.42 65.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.977 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 19' ' ' CYS . . . . . . . . . . . . . 35.8 t -64.32 -25.23 67.95 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.291 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.4 25.98 22.11 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.092 -1.051 . . . . 0.0 111.72 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 64.05 24.11 13.44 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 179.077 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 22' ' ' ARG . . . . . . . . . . . . . 64.3 mtt180 -69.76 -40.6 76.0 Favored 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 178.01 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 23' ' ' GLY . . . . . 0.75 ' HA3' HG22 ' H' ' 27' ' ' THR . . . 128.86 162.81 11.08 Favored Glycine 0 N--CA 1.44 -1.073 0 CA-C-N 114.151 -1.386 . . . . 0.0 110.332 -178.816 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 24' ' ' PHE . . . . . 1.095 ' HE2' ' HB3' ' F' ' 16' ' ' TYR . 37.9 p90 -164.84 174.48 10.56 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 117.28 0.54 . . . . 0.0 110.518 -179.768 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 25' ' ' PHE . . . . . . . . . . . . . 5.2 p90 -127.06 139.59 52.89 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 178.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 26' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -131.46 103.82 6.64 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.183 0.516 . . . . 0.0 109.76 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 27' ' ' THR . . . . . 0.731 HG22 ' HA3' ' H' ' 23' ' ' GLY . 11.4 p -121.98 96.0 47.12 Favored Pre-proline 0 C--N 1.319 -0.743 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.808 -179.476 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 28' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -80.59 39.44 0.85 Allowed 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.692 2.261 . . . . 0.0 111.162 179.296 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 29' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -127.69 91.85 3.37 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.072 -0.967 . . . . 0.0 109.361 -179.097 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 30' ' ' THR . . . . . . . . . . . . . 14.7 t . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.764 -0.636 . . . . 0.0 109.564 -179.153 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' G' G ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.893 0 N-CA-C 112.72 -0.152 . . . . 0.0 112.72 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' G' G ' 2' ' ' ILE . . . . . . . . . . . . . 9.8 tt -165.76 -37.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 120.887 0.375 . . . . 0.0 110.542 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 3' ' ' VAL . . . . . 0.412 ' CG1' ' HG3' ' H' ' 4' ' ' GLN . 93.4 t -66.19 -47.92 83.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.316 0.579 . . . . 0.0 110.498 179.259 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' G' G ' 4' ' ' GLU . . . . . 0.53 ' H ' ' CD ' ' G' ' 4' ' ' GLU . 0.3 OUTLIER -68.62 -18.01 64.22 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.32 -0.855 . . . . 0.0 111.593 -179.698 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' G' G ' 5' ' ' GLN . . . . . 0.497 ' HG2' ' SG ' ' G' ' 11' ' ' CYS . 18.2 tt0 -99.38 -40.67 7.77 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 -177.48 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' G' G ' 6' ' ' CYS . . . . . . . . . . . . . 85.8 m -103.29 -36.19 8.15 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 114.274 1.213 . . . . 0.0 114.274 -176.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 7' ' ' CYS . . . . . 0.65 ' HB2' HD11 ' H' ' 11' ' ' LEU . 52.8 t -73.36 -12.37 60.8 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 118.279 0.491 . . . . 0.0 111.306 -178.82 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' G' G ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.77 -60.54 2.18 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.002 179.503 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' G' G ' 9' ' ' SER . . . . . 0.45 ' O ' ' HB ' ' G' ' 10' ' ' ILE . 71.3 m -151.81 33.06 0.55 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.665 0.246 . . . . 0.0 111.665 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' G' G ' 10' ' ' ILE . . . . . 0.484 HG12 ' HB3' ' D' ' 5' ' ' HIS . 1.8 mp 71.4 145.79 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 N-CA-C 112.855 0.687 . . . . 0.0 112.855 178.617 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' G' G ' 11' ' ' CYS . . . . . 0.497 ' SG ' ' HG2' ' G' ' 5' ' ' GLN . 98.8 m -105.13 172.36 6.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.35 179.261 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' G' G ' 12' ' ' SER . . . . . . . . . . . . . 48.4 m -81.88 168.54 17.83 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.731 0.301 . . . . 0.0 110.507 178.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 13' ' ' LEU . . . . . 0.418 ' HG ' ' CG1' ' H' ' 18' ' ' VAL . 10.2 tt -57.55 -54.25 48.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.925 -178.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -69.34 -17.54 63.72 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -179.051 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -70.58 -37.54 73.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.792 0.329 . . . . 0.0 110.135 178.458 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 16' ' ' LEU . . . . . 0.43 ' HB3' HD23 ' H' ' 15' ' ' LEU . 90.3 mt -71.56 -31.13 66.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.727 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' G' G ' 17' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -62.62 -20.61 64.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.603 -179.421 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 18' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -71.28 -11.99 61.21 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.907 0.384 . . . . 0.0 111.15 179.639 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 19' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -102.95 4.65 37.71 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.795 0.331 . . . . 0.0 111.044 -179.433 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 20' ' ' CYS . . . . . . . . . . . . . 67.6 m -69.4 158.39 35.2 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.369 0.604 . . . . 0.0 112.057 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 21' ' ' ASN . . . . . . . . . . . . . 49.4 m-20 . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.379 -0.82 . . . . 0.0 109.887 179.029 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' H' H ' 1' ' ' PHE . . . . . . . . . . . . . 54.9 t80 . . . . . 0 N--CA 1.483 1.213 0 CA-C-O 120.437 0.16 . . . . 0.0 111.303 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' H' H ' 2' ' ' VAL . . . . . 0.407 ' HB ' HD11 ' K' ' 10' ' ' ILE . 27.7 m 45.94 -147.49 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 C-N-CA 124.125 0.97 . . . . 0.0 112.437 -179.252 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' H' H ' 3' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -159.17 -171.92 3.56 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 122.094 -0.379 . . . . 0.0 110.024 -178.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 4' ' ' GLN . . . . . 0.822 ' HA ' ' HB3' ' H' ' 7' ' ' CYS . 16.9 tm0? -56.49 -25.99 52.99 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 123.413 0.446 . . . . 0.0 110.204 179.369 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' H' H ' 5' ' ' HIS . . . . . 0.509 ' NE2' ' HG ' ' F' ' 17' ' ' LEU . 34.5 t60 -57.68 -18.81 22.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.493 179.453 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' H' H ' 6' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' H' ' 6' ' ' LEU . 35.3 mt -126.58 -9.38 6.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.41 0.624 . . . . 0.0 110.358 178.42 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' H' H ' 7' ' ' CYS . . . . . 0.822 ' HB3' ' HA ' ' H' ' 4' ' ' GLN . 6.0 t -88.15 -43.76 11.41 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.061 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' H' H ' 8' ' ' GLY . . . . . 0.542 ' HA2' HD12 ' H' ' 11' ' ' LEU . . . -62.62 -28.16 70.99 Favored Glycine 0 N--CA 1.45 -0.367 0 CA-C-N 116.08 -0.509 . . . . 0.0 113.422 -179.271 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' H' H ' 9' ' ' SER . . . . . 0.852 ' HB2' ' HG2' ' F' ' 13' ' ' GLU . 36.9 p -61.98 -24.56 67.1 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.946 0.403 . . . . 0.0 111.42 -179.269 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' H' H ' 10' ' ' HIS . . . . . 0.456 ' HA ' ' HG3' ' H' ' 13' ' ' GLU . 98.3 m-70 -98.92 -17.4 18.38 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.868 0.366 . . . . 0.0 111.11 -179.37 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' H' H ' 11' ' ' LEU . . . . . 0.65 HD11 ' HB2' ' G' ' 7' ' ' CYS . 48.9 mt -71.28 -40.51 70.85 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 177.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' H' H ' 12' ' ' VAL . . . . . 0.599 ' HA ' HD12 ' H' ' 15' ' ' LEU . 3.0 m -68.52 -27.45 36.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.074 -0.966 . . . . 0.0 111.898 179.636 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' H' H ' 13' ' ' GLU . . . . . 0.853 ' HG2' ' HB2' ' F' ' 9' ' ' SER . 40.4 mt-10 -59.57 -46.58 88.51 Favored 'General case' 0 CA--C 1.521 -0.138 0 CA-C-O 121.364 0.602 . . . . 0.0 109.844 179.277 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' H' H ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.79 -26.54 49.75 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.517 179.198 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 15' ' ' LEU . . . . . 0.599 HD12 ' HA ' ' H' ' 12' ' ' VAL . 12.9 mt -55.48 -57.62 11.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.246 -0.433 . . . . 0.0 112.042 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' H' H ' 16' ' ' TYR . . . . . 1.06 ' HB3' ' HE2' ' H' ' 24' ' ' PHE . 18.3 p90 -74.14 -27.48 60.87 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 119.781 -0.767 . . . . 0.0 111.25 -179.071 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' H' H ' 17' ' ' LEU . . . . . 0.503 ' HG ' ' NE2' ' F' ' 5' ' ' HIS . 7.1 tt -66.85 -51.38 56.15 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.194 179.775 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' H' H ' 18' ' ' VAL . . . . . 0.418 ' CG1' ' HG ' ' G' ' 13' ' ' LEU . 79.7 t -70.49 -37.25 69.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.175 179.703 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' H' H ' 19' ' ' CYS . . . . . . . . . . . . . 36.5 t -64.61 -24.11 67.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.388 -179.603 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.88 26.96 23.0 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.325 -0.94 . . . . 0.0 111.881 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 21' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 63.26 24.44 14.3 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 179.171 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 22' ' ' ARG . . . . . . . . . . . . . 69.0 mtt180 -70.12 -39.51 75.4 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.756 0.789 . . . . 0.0 108.945 177.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 23' ' ' GLY . . . . . 0.731 ' HA3' HG22 ' F' ' 27' ' ' THR . . . 127.8 162.78 11.2 Favored Glycine 0 N--CA 1.441 -1.0 0 CA-C-N 114.191 -1.368 . . . . 0.0 110.316 -178.391 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' H' H ' 24' ' ' PHE . . . . . 1.06 ' HE2' ' HB3' ' H' ' 16' ' ' TYR . 36.5 p90 -165.19 174.39 10.32 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 117.205 0.503 . . . . 0.0 110.461 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' H' H ' 25' ' ' PHE . . . . . . . . . . . . . 4.9 p90 -126.91 139.63 52.93 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 178.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 26' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -131.23 103.42 6.46 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.09 0.471 . . . . 0.0 109.734 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 27' ' ' THR . . . . . 0.75 HG22 ' HA3' ' F' ' 23' ' ' GLY . 6.1 p -121.84 95.8 47.49 Favored Pre-proline 0 C--N 1.317 -0.813 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.853 -179.271 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' H' H ' 28' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -81.27 41.24 1.11 Allowed 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.817 2.345 . . . . 0.0 111.232 179.341 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 29' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -129.07 89.29 2.84 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.918 -1.037 . . . . 0.0 109.499 -178.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 30' ' ' THR . . . . . . . . . . . . . 14.9 t . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.824 -0.607 . . . . 0.0 109.547 -179.224 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' I' I ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.409 0 N-CA-C 112.355 -0.298 . . . . 0.0 112.355 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' I' I ' 2' ' ' ILE . . . . . . . . . . . . . 8.6 tt -167.36 -36.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.083 0.468 . . . . 0.0 110.753 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 3' ' ' VAL . . . . . 0.423 ' CG1' ' HG3' ' J' ' 4' ' ' GLN . 96.5 t -67.43 -48.68 76.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.329 0.585 . . . . 0.0 110.26 179.265 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' I' I ' 4' ' ' GLU . . . . . 0.533 ' CD ' ' H ' ' I' ' 4' ' ' GLU . 0.4 OUTLIER -67.15 -20.5 65.76 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.499 -179.863 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' I' I ' 5' ' ' GLN . . . . . 0.504 ' HG2' ' SG ' ' I' ' 11' ' ' CYS . 17.7 tt0 -97.11 -39.73 9.17 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 113.018 0.747 . . . . 0.0 113.018 -177.536 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' I' I ' 6' ' ' CYS . . . . . . . . . . . . . 86.2 m -104.44 -35.59 7.85 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 -176.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 7' ' ' CYS . . . . . 0.626 ' HB2' HD11 ' J' ' 11' ' ' LEU . 52.7 t -73.58 -12.88 60.91 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.411 -0.516 . . . . 0.0 111.079 -179.086 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' I' I ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.24 -60.84 2.03 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.143 179.596 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' I' I ' 9' ' ' SER . . . . . 0.455 ' O ' ' HB ' ' I' ' 10' ' ' ILE . 73.4 m -151.29 32.14 0.59 Allowed 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 111.753 0.279 . . . . 0.0 111.753 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' I' I ' 10' ' ' ILE . . . . . 0.455 ' HB ' ' O ' ' I' ' 9' ' ' SER . 1.7 mp 72.44 147.56 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 CA-C-O 121.415 0.626 . . . . 0.0 112.626 178.851 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' I' I ' 11' ' ' CYS . . . . . 0.504 ' SG ' ' HG2' ' I' ' 5' ' ' GLN . 96.0 m -106.94 172.35 6.87 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 123.441 0.696 . . . . 0.0 110.267 179.577 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' I' I ' 12' ' ' SER . . . . . . . . . . . . . 44.2 m -82.07 168.19 18.04 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.795 0.331 . . . . 0.0 110.445 178.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 13' ' ' LEU . . . . . 0.421 ' HG ' ' CG1' ' J' ' 18' ' ' VAL . 10.1 tt -57.0 -54.11 50.42 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.808 -179.029 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -69.97 -16.1 63.14 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -179.018 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -71.75 -37.72 70.5 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 178.502 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 16' ' ' LEU . . . . . 0.43 ' HB3' HD23 ' J' ' 15' ' ' LEU . 88.2 mt -71.38 -30.35 66.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.126 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' I' I ' 17' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -63.66 -20.76 65.96 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.332 -179.471 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 18' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -71.94 -8.17 52.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.844 0.354 . . . . 0.0 111.357 179.602 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 19' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -106.65 4.28 27.72 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.952 0.406 . . . . 0.0 110.842 -179.549 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 20' ' ' CYS . . . . . . . . . . . . . 65.8 m -69.57 158.66 34.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.914 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 21' ' ' ASN . . . . . . . . . . . . . 50.8 m-20 . . . . . 0 C--O 1.249 1.057 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.057 179.229 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' J' J ' 1' ' ' PHE . . . . . . . . . . . . . 56.0 t80 . . . . . 0 N--CA 1.484 1.257 0 CA-C-O 120.371 0.129 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' J' J ' 2' ' ' VAL . . . . . 0.414 ' HB ' HD11 ' E' ' 10' ' ' ILE . 28.6 m 45.89 -146.55 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 C-N-CA 124.183 0.993 . . . . 0.0 112.58 -179.237 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' J' J ' 3' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -160.24 -173.16 3.89 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 -178.647 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' J' J ' 4' ' ' GLN . . . . . 0.796 ' HA ' ' HB3' ' J' ' 7' ' ' CYS . 17.0 tm0? -56.12 -25.5 46.19 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.843 0.354 . . . . 0.0 110.147 179.375 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' J' J ' 5' ' ' HIS . . . . . 0.525 ' NE2' ' HG ' ' L' ' 17' ' ' LEU . 34.7 t60 -58.08 -18.22 23.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.564 179.445 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' J' J ' 6' ' ' LEU . . . . . . . . . . . . . 36.5 mt -127.33 -8.79 5.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.241 0.543 . . . . 0.0 110.143 178.493 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' J' J ' 7' ' ' CYS . . . . . 0.796 ' HB3' ' HA ' ' J' ' 4' ' ' GLN . 6.6 t -88.96 -42.86 11.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.186 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' J' J ' 8' ' ' GLY . . . . . 0.551 ' HA2' HD12 ' J' ' 11' ' ' LEU . . . -63.26 -28.82 72.86 Favored Glycine 0 N--CA 1.452 -0.238 0 CA-C-N 116.001 -0.545 . . . . 0.0 113.155 -179.429 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' J' J ' 9' ' ' SER . . . . . 0.864 ' HB2' ' HG2' ' L' ' 13' ' ' GLU . 35.4 p -61.29 -24.89 66.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.855 0.359 . . . . 0.0 111.528 -179.372 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' J' J ' 10' ' ' HIS . . . . . 0.483 ' HA ' ' HG3' ' J' ' 13' ' ' GLU . 98.5 m-70 -98.97 -17.29 18.39 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.888 0.375 . . . . 0.0 111.1 -179.14 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' J' J ' 11' ' ' LEU . . . . . 0.626 HD11 ' HB2' ' I' ' 7' ' ' CYS . 49.5 mt -71.37 -40.46 70.61 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 177.841 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' J' J ' 12' ' ' VAL . . . . . 0.611 ' HA ' HD12 ' J' ' 15' ' ' LEU . 3.2 m -68.67 -27.22 35.28 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 CA-C-N 114.98 -1.009 . . . . 0.0 111.843 179.593 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' J' J ' 13' ' ' GLU . . . . . 0.864 ' HG2' ' HB2' ' L' ' 9' ' ' SER . 39.7 mt-10 -60.07 -46.11 90.66 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.342 0.592 . . . . 0.0 109.829 179.355 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' J' J ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.94 -26.47 48.94 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.357 179.182 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' J' J ' 15' ' ' LEU . . . . . 0.611 HD12 ' HA ' ' J' ' 12' ' ' VAL . 12.8 mt -55.77 -57.38 12.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.901 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' J' J ' 16' ' ' TYR . . . . . 1.046 ' HB3' ' HE2' ' J' ' 24' ' ' PHE . 18.4 p90 -74.07 -27.52 60.95 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 119.735 -0.786 . . . . 0.0 111.397 -179.139 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' J' J ' 17' ' ' LEU . . . . . 0.528 ' HG ' ' NE2' ' L' ' 5' ' ' HIS . 7.0 tt -66.86 -51.41 55.84 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.326 179.744 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' J' J ' 18' ' ' VAL . . . . . 0.421 ' CG1' ' HG ' ' I' ' 13' ' ' LEU . 74.6 t -70.52 -36.95 68.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 179.658 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' J' J ' 19' ' ' CYS . . . . . . . . . . . . . 37.5 t -65.54 -20.33 66.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.332 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' J' J ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.71 27.27 32.6 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.299 -0.953 . . . . 0.0 112.375 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' J' J ' 21' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 62.55 26.38 15.67 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 113.183 0.809 . . . . 0.0 113.183 179.185 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' J' J ' 22' ' ' ARG . . . . . . . . . . . . . 63.5 mtt180 -71.94 -40.59 68.63 Favored 'General case' 0 CA--C 1.519 -0.215 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 178.082 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' J' J ' 23' ' ' GLY . . . . . 0.706 ' HA3' HG22 ' L' ' 27' ' ' THR . . . 129.42 162.95 11.05 Favored Glycine 0 N--CA 1.443 -0.89 0 CA-C-N 114.167 -1.378 . . . . 0.0 110.18 -178.851 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' J' J ' 24' ' ' PHE . . . . . 1.046 ' HE2' ' HB3' ' J' ' 16' ' ' TYR . 36.4 p90 -165.3 173.6 11.04 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 117.261 0.53 . . . . 0.0 110.472 -179.615 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' J' J ' 25' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -126.09 139.81 53.09 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.251 178.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' J' J ' 26' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -131.31 103.71 6.61 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.042 0.449 . . . . 0.0 109.823 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' J' J ' 27' ' ' THR . . . . . 0.745 HG22 ' HA3' ' L' ' 23' ' ' GLY . 8.1 p -122.14 95.44 47.33 Favored Pre-proline 0 C--N 1.318 -0.79 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.063 -179.288 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' J' J ' 28' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_endo -80.6 40.2 0.95 Allowed 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.765 2.31 . . . . 0.0 111.235 179.467 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' J' J ' 29' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -128.6 89.33 2.88 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.771 -1.104 . . . . 0.0 109.501 -179.099 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' J' J ' 30' ' ' THR . . . . . . . . . . . . . 15.3 t . . . . . 0 C--O 1.248 0.99 0 CA-C-O 118.849 -0.596 . . . . 0.0 109.584 -179.361 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.166 0 N-CA-C 111.719 -0.552 . . . . 0.0 111.719 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' K' K ' 2' ' ' ILE . . . . . . . . . . . . . 9.4 tt -167.01 -37.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 120.783 0.325 . . . . 0.0 110.772 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' K' K ' 3' ' ' VAL . . . . . 0.416 ' O ' ' HB3' ' K' ' 7' ' ' CYS . 93.8 t -66.31 -48.43 81.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 121.278 0.561 . . . . 0.0 110.455 179.472 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' K' K ' 4' ' ' GLU . . . . . 0.54 ' CD ' ' H ' ' K' ' 4' ' ' GLU . 0.4 OUTLIER -67.61 -20.17 65.32 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.294 -179.831 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' K' K ' 5' ' ' GLN . . . . . 0.487 ' HG2' ' SG ' ' K' ' 11' ' ' CYS . 18.3 tt0 -97.32 -39.73 9.08 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -177.378 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' K' K ' 6' ' ' CYS . . . . . . . . . . . . . 83.4 m -104.22 -35.98 7.82 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 114.256 1.206 . . . . 0.0 114.256 -176.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' K' K ' 7' ' ' CYS . . . . . 0.659 ' HB2' HD11 ' L' ' 11' ' ' LEU . 52.6 t -73.25 -12.91 61.03 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 121.839 -0.538 . . . . 0.0 111.148 -178.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' K' K ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.47 -60.79 2.06 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.157 179.385 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' K' K ' 9' ' ' SER . . . . . 0.457 ' O ' ' HB ' ' K' ' 10' ' ' ILE . 73.0 m -151.34 31.79 0.59 Allowed 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' K' K ' 10' ' ' ILE . . . . . 0.459 HG12 ' HB3' ' H' ' 5' ' ' HIS . 1.7 mp 72.5 144.62 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.625 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 178.556 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' K' K ' 11' ' ' CYS . . . . . 0.487 ' SG ' ' HG2' ' K' ' 5' ' ' GLN . 97.0 m -104.03 172.67 6.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.316 179.382 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' K' K ' 12' ' ' SER . . . . . . . . . . . . . 42.3 m -81.91 167.88 18.5 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.747 0.308 . . . . 0.0 110.382 179.083 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' K' K ' 13' ' ' LEU . . . . . 0.441 ' HG ' ' CG1' ' L' ' 18' ' ' VAL . 10.2 tt -57.36 -54.07 50.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.609 -179.076 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -69.57 -17.07 63.52 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -178.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -70.5 -39.72 73.98 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 178.434 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' K' K ' 16' ' ' LEU . . . . . 0.442 ' HB3' HD23 ' L' ' 15' ' ' LEU . 88.3 mt -69.17 -31.29 69.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.154 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' K' K ' 17' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -62.62 -20.66 64.98 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.521 -179.597 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' K' K ' 18' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -71.66 -10.45 59.79 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.899 0.38 . . . . 0.0 111.215 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' K' K ' 19' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -104.49 3.96 32.59 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.963 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' K' K ' 20' ' ' CYS . . . . . . . . . . . . . 68.1 m -68.88 159.63 32.21 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.16 0.505 . . . . 0.0 112.078 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' K' K ' 21' ' ' ASN . . . . . . . . . . . . . 51.6 m-20 . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.475 -0.774 . . . . 0.0 109.975 178.948 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' L' L ' 1' ' ' PHE . . . . . . . . . . . . . 55.0 t80 . . . . . 0 N--CA 1.484 1.236 0 N-CA-C 111.365 0.135 . . . . 0.0 111.365 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' L' L ' 2' ' ' VAL . . . . . . . . . . . . . 28.5 m 46.14 -146.71 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 C-N-CA 124.281 1.032 . . . . 0.0 112.579 -179.281 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' L' L ' 3' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -160.05 -172.22 3.53 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 -178.787 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' L' L ' 4' ' ' GLN . . . . . 0.822 ' HA ' ' HB3' ' L' ' 7' ' ' CYS . 17.1 tm0? -56.92 -25.13 56.72 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.155 179.414 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' L' L ' 5' ' ' HIS . . . . . 0.528 ' NE2' ' HG ' ' J' ' 17' ' ' LEU . 34.9 t60 -58.7 -18.05 27.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.427 179.463 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' L' L ' 6' ' ' LEU . . . . . . . . . . . . . 35.8 mt -127.03 -9.11 5.96 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.28 0.562 . . . . 0.0 109.967 178.461 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' L' L ' 7' ' ' CYS . . . . . 0.822 ' HB3' ' HA ' ' L' ' 4' ' ' GLN . 5.6 t -88.46 -43.7 11.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.121 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' L' L ' 8' ' ' GLY . . . . . 0.529 ' HA2' HD12 ' L' ' 11' ' ' LEU . . . -62.38 -28.6 71.33 Favored Glycine 0 N--CA 1.452 -0.249 0 CA-C-N 116.1 -0.5 . . . . 0.0 113.321 -179.438 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' L' L ' 9' ' ' SER . . . . . 0.864 ' HB2' ' HG2' ' J' ' 13' ' ' GLU . 28.2 p -61.38 -24.83 66.76 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.926 0.393 . . . . 0.0 111.526 -179.263 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' L' L ' 10' ' ' HIS . . . . . 0.478 ' HA ' ' HG3' ' L' ' 13' ' ' GLU . 98.4 m-70 -99.36 -17.18 18.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.964 0.411 . . . . 0.0 110.968 -179.237 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' L' L ' 11' ' ' LEU . . . . . 0.659 HD11 ' HB2' ' K' ' 7' ' ' CYS . 55.9 mt -71.31 -40.39 70.82 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 177.822 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' L' L ' 12' ' ' VAL . . . . . 0.585 ' HA ' HD12 ' L' ' 15' ' ' LEU . 3.0 m -68.64 -27.5 36.44 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-N 114.989 -1.005 . . . . 0.0 112.003 179.529 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' L' L ' 13' ' ' GLU . . . . . 0.864 ' HG2' ' HB2' ' J' ' 9' ' ' SER . 40.6 mt-10 -59.72 -46.89 87.73 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 121.347 0.594 . . . . 0.0 109.717 179.49 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' L' L ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.12 -26.97 53.82 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.495 179.214 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' L' L ' 15' ' ' LEU . . . . . 0.585 HD12 ' HA ' ' L' ' 12' ' ' VAL . 12.5 mt -55.29 -57.5 11.55 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.915 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' L' L ' 16' ' ' TYR . . . . . 1.056 ' HB3' ' HE2' ' L' ' 24' ' ' PHE . 19.0 p90 -74.27 -27.55 60.8 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 119.787 -0.765 . . . . 0.0 111.235 -179.062 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' L' L ' 17' ' ' LEU . . . . . 0.525 ' HG ' ' NE2' ' J' ' 5' ' ' HIS . 7.1 tt -66.54 -51.98 50.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.144 179.697 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' L' L ' 18' ' ' VAL . . . . . 0.441 ' CG1' ' HG ' ' K' ' 13' ' ' LEU . 78.0 t -69.7 -38.36 76.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.172 179.746 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' L' L ' 19' ' ' CYS . . . . . . . . . . . . . 36.3 t -63.95 -23.33 67.3 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.497 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' L' L ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.98 26.38 26.64 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.127 -1.035 . . . . 0.0 111.97 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' L' L ' 21' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 63.25 25.74 14.87 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 179.1 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' L' L ' 22' ' ' ARG . . . . . . . . . . . . . 66.5 mtt180 -70.66 -41.27 72.31 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 177.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' L' L ' 23' ' ' GLY . . . . . 0.745 ' HA3' HG22 ' J' ' 27' ' ' THR . . . 129.47 162.87 11.01 Favored Glycine 0 N--CA 1.441 -1.027 0 CA-C-N 114.152 -1.385 . . . . 0.0 109.984 -178.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' L' L ' 24' ' ' PHE . . . . . 1.056 ' HE2' ' HB3' ' L' ' 16' ' ' TYR . 37.4 p90 -164.62 174.57 10.67 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 117.192 0.496 . . . . 0.0 110.498 -179.652 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' L' L ' 25' ' ' PHE . . . . . . . . . . . . . 5.1 p90 -126.95 139.38 53.09 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 178.765 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' L' L ' 26' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -131.37 103.19 6.3 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.156 0.503 . . . . 0.0 109.741 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' L' L ' 27' ' ' THR . . . . . 0.706 HG22 ' HA3' ' J' ' 23' ' ' GLY . 11.1 p -121.49 95.91 47.96 Favored Pre-proline 0 C--N 1.318 -0.785 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.946 -179.322 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' L' L ' 28' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -81.14 41.51 1.16 Allowed 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.779 2.319 . . . . 0.0 111.194 179.429 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' L' L ' 29' ' ' LYS . . . . . . . . . . . . . 87.6 tttt . . . . . 0 C--N 1.318 -0.767 0 CA-C-N 114.816 -1.084 . . . . 0.0 109.188 -179.121 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.933 0 N-CA-C 112.118 -0.393 . . . . 0.0 112.118 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 11.4 tt -56.29 -40.24 64.87 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -179.299 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.474 HG11 ' HG3' ' B' ' 4' ' ' GLN . 44.9 t -64.63 -47.6 88.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.061 0.458 . . . . 0.0 110.862 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -67.11 -11.37 57.01 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.538 -179.355 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.548 ' HG2' ' SG ' ' A' ' 11' ' ' CYS . 34.4 tt0 -107.92 -37.91 5.97 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -178.613 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 84.6 m -97.95 -32.2 11.79 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 -177.604 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.45 ' HB2' HD11 ' B' ' 11' ' ' LEU . 41.5 t -78.06 -17.61 56.8 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.664 -0.415 . . . . 0.0 110.605 -179.679 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.91 -59.54 2.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.807 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.453 ' O ' ' HB ' ' A' ' 10' ' ' ILE . 45.4 m -149.01 30.39 0.79 Allowed 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.022 0.378 . . . . 0.0 112.022 -179.228 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.825 HD13 ' HB3' ' F' ' 3' ' ' ASN . 1.8 mp 71.41 142.52 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 CA-C-O 121.545 0.688 . . . . 0.0 112.688 178.792 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.548 ' SG ' ' HG2' ' A' ' 5' ' ' GLN . 97.7 m -104.69 160.6 14.84 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.529 -0.759 . . . . 0.0 109.889 179.114 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.6 m -69.01 158.96 33.73 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.316 179.158 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.8 tt -58.95 -57.34 13.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.751 0.31 . . . . 0.0 110.765 -179.449 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 11.3 p90 -63.32 -20.37 65.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.907 0.384 . . . . 0.0 111.2 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -70.95 -37.2 72.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.054 0.454 . . . . 0.0 109.993 179.285 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.535 ' HB3' HD23 ' B' ' 15' ' ' LEU . 92.1 mt -69.76 -28.67 65.97 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.22 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 77.3 tt0 -66.22 -17.68 64.88 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.991 -179.627 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -74.22 -6.24 46.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.112 0.482 . . . . 0.0 110.611 179.444 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -109.47 -102.41 0.38 Allowed 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 178.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.413 ' HB3' ' H ' ' A' ' 21' ' ' ASN . 35.5 m 51.63 -126.78 2.4 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 112.516 0.562 . . . . 0.0 112.516 178.44 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.413 ' H ' ' HB3' ' A' ' 20' ' ' CYS . 0.7 OUTLIER . . . . . 0 C--O 1.247 0.954 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 -179.708 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 51.4 t80 . . . . . 0 N--CA 1.482 1.156 0 CA-C-O 120.236 0.065 . . . . 0.0 111.068 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 20.5 m 40.39 -125.84 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 123.929 0.891 . . . . 0.0 112.793 -179.512 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 3' ' ' ASN . . . . . 0.824 ' HB3' HD13 ' I' ' 10' ' ' ILE . 20.2 t-20 -164.79 164.08 21.17 Favored 'General case' 0 C--O 1.237 0.409 0 O-C-N 122.372 -0.205 . . . . 0.0 110.467 -178.585 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 4' ' ' GLN . . . . . 0.474 ' HG3' HG11 ' A' ' 3' ' ' VAL . 7.9 tt0 -51.36 -29.52 15.7 Favored 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 123.262 0.625 . . . . 0.0 110.848 179.013 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -53.77 -20.82 6.16 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.303 179.492 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' B' ' 6' ' ' LEU . 21.7 mt -114.45 -39.73 3.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.814 0.34 . . . . 0.0 110.719 179.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 46.8 t -66.76 -44.31 81.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.477 -179.52 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.33 -35.66 91.96 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.848 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' SER . . . . . 0.515 ' O ' HG22 ' B' ' 12' ' ' VAL . 1.7 m -61.14 -33.29 73.16 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -179.437 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -88.82 -6.99 56.98 Favored 'General case' 0 CA--C 1.509 -0.596 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 -178.59 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.45 HD11 ' HB2' ' A' ' 7' ' ' CYS . 45.7 mt -73.02 -17.96 61.39 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 177.803 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.898 HG21 HG21 ' D' ' 12' ' ' VAL . 5.0 m -71.26 -34.97 56.12 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.475 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.661 179.31 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -56.1 -42.33 76.64 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-O 121.843 0.83 . . . . 0.0 108.844 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.15 -50.25 42.36 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 114.483 -1.235 . . . . 0.0 110.823 178.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.535 HD23 ' HB3' ' A' ' 16' ' ' LEU . 91.4 mt -58.18 -56.49 21.36 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.239 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 16' ' ' TYR . . . . . 0.466 ' HB2' ' O ' ' B' ' 12' ' ' VAL . 1.0 OUTLIER -47.16 -44.41 21.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.479 -179.527 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -62.81 -45.83 90.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.139 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 57.8 t -70.75 -37.7 69.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.124 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' CYS . . . . . 0.46 ' HB3' ' HB2' ' B' ' 22' ' ' ARG . 77.6 m -65.19 -28.01 69.09 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.212 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.74 -110.45 3.03 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.707 -0.758 . . . . 0.0 111.881 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -94.11 -3.61 50.77 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.79 0.328 . . . . 0.0 110.998 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' ARG . . . . . 0.46 ' HB2' ' HB3' ' B' ' 19' ' ' CYS . 78.4 mtt180 -82.27 167.55 18.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.052 0.453 . . . . 0.0 110.105 178.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 23' ' ' GLY . . . . . 0.477 ' HA3' ' HD2' ' D' ' 28' ' ' PRO . . . -103.91 -152.73 22.91 Favored Glycine 0 N--CA 1.44 -1.049 0 N-CA-C 109.66 -1.376 . . . . 0.0 109.66 177.104 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 24' ' ' PHE . . . . . 0.784 ' CZ ' ' HB ' ' B' ' 12' ' ' VAL . 3.0 p90 -166.52 141.19 4.27 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.688 0.756 . . . . 0.0 111.589 178.752 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 25' ' ' PHE . . . . . 0.672 ' HA ' ' HA ' ' D' ' 25' ' ' PHE . 3.0 p90 -99.24 90.85 4.71 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 178.066 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.427 ' OH ' HD12 ' B' ' 11' ' ' LEU . 8.1 t80 -83.01 91.74 7.23 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.533 -178.089 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 16.0 p -110.04 94.66 18.41 Favored Pre-proline 0 C--N 1.319 -0.745 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.432 179.604 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' PRO . . . . . 0.472 ' HD2' ' HA3' ' D' ' 23' ' ' GLY . 74.6 Cg_endo -78.27 52.57 4.15 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.775 2.317 . . . . 0.0 112.218 -179.272 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 44.4 tttm -153.55 142.6 21.28 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.481 -0.782 . . . . 0.0 109.431 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 7.4 m . . . . . 0 C--O 1.255 1.367 0 CA-C-O 117.882 -1.056 . . . . 0.0 108.545 178.795 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.192 0 N-CA-C 111.737 -0.545 . . . . 0.0 111.737 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 10.8 tt -59.43 -38.78 76.88 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 C-N-CA 122.749 0.42 . . . . 0.0 111.999 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 3' ' ' VAL . . . . . 0.51 HG11 ' HG3' ' D' ' 4' ' ' GLN . 47.5 t -66.12 -46.7 87.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.221 0.534 . . . . 0.0 110.807 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -67.41 -10.95 56.2 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.663 -0.699 . . . . 0.0 112.153 -179.347 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 5' ' ' GLN . . . . . 0.542 ' HG2' ' SG ' ' C' ' 11' ' ' CYS . 34.3 tt0 -108.69 -37.27 5.95 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -178.457 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 86.2 m -98.79 -32.07 11.55 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 113.53 0.937 . . . . 0.0 113.53 -177.462 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 7' ' ' CYS . . . . . 0.451 ' HB2' HD11 ' D' ' 11' ' ' LEU . 41.7 t -78.19 -17.1 57.22 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 122.059 -0.4 . . . . 0.0 110.725 -179.627 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.4 -59.87 2.6 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.558 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 9' ' ' SER . . . . . 0.409 ' O ' ' HB ' ' C' ' 10' ' ' ILE . 46.6 m -149.39 31.79 0.74 Allowed 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.068 0.395 . . . . 0.0 112.068 -179.251 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 10' ' ' ILE . . . . . 0.801 HD13 ' HB3' ' L' ' 3' ' ' ASN . 1.8 mp 70.22 142.28 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 178.726 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 11' ' ' CYS . . . . . 0.542 ' SG ' ' HG2' ' C' ' 5' ' ' GLN . 95.7 m -104.12 160.73 14.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.276 178.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 4.9 m -68.47 159.13 32.29 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.463 179.152 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 6.9 tt -59.86 -56.02 26.9 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.645 0.26 . . . . 0.0 110.842 -179.309 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 11.3 p90 -64.76 -19.74 65.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.804 0.335 . . . . 0.0 111.303 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -71.21 -37.23 72.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.053 -0.522 . . . . 0.0 109.804 179.302 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 16' ' ' LEU . . . . . 0.544 ' HB3' HD23 ' D' ' 15' ' ' LEU . 90.3 mt -69.54 -29.0 66.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.282 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 79.0 tt0 -65.25 -20.3 66.36 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.08 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -71.89 -6.42 41.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.042 0.449 . . . . 0.0 110.82 179.442 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -109.38 -103.36 0.37 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 178.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 40.1 m 52.35 -126.44 2.42 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 178.668 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.247 0.953 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 48.9 t80 . . . . . 0 N--CA 1.477 0.92 0 CA-C-O 120.241 0.067 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' D' D ' 2' ' ' VAL . . . . . 0.417 HG23 ' H ' ' D' ' 3' ' ' ASN . 21.6 m 40.83 -125.41 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 123.975 0.91 . . . . 0.0 112.73 -179.297 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 3' ' ' ASN . . . . . 0.772 ' HB3' HD13 ' G' ' 10' ' ' ILE . 21.9 t-20 -164.99 164.34 20.6 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 120.45 0.167 . . . . 0.0 110.573 -178.682 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 4' ' ' GLN . . . . . 0.51 ' HG3' HG11 ' C' ' 3' ' ' VAL . 8.7 tt0 -51.21 -29.89 15.52 Favored 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 123.246 0.618 . . . . 0.0 110.8 178.826 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 5' ' ' HIS . . . . . . . . . . . . . 70.4 t60 -53.66 -20.73 5.7 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.444 179.665 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 6' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' D' ' 6' ' ' LEU . 23.0 mt -114.68 -39.93 3.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.765 178.859 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 7' ' ' CYS . . . . . . . . . . . . . 43.2 t -66.7 -43.82 83.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.408 -179.365 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.83 -35.76 92.43 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 121.073 -0.584 . . . . 0.0 112.941 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 9' ' ' SER . . . . . 0.514 ' O ' HG22 ' D' ' 12' ' ' VAL . 1.7 m -60.78 -33.69 73.36 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.782 0.325 . . . . 0.0 111.833 -179.594 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 10' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -88.33 -7.28 56.95 Favored 'General case' 0 CA--C 1.511 -0.526 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 -178.717 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 11' ' ' LEU . . . . . 0.451 HD11 ' HB2' ' C' ' 7' ' ' CYS . 48.5 mt -73.16 -18.03 61.31 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 178.009 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 12' ' ' VAL . . . . . 0.898 HG21 HG21 ' B' ' 12' ' ' VAL . 4.8 m -71.06 -34.81 56.53 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.402 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.539 179.216 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -56.2 -42.59 77.41 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-O 121.879 0.847 . . . . 0.0 108.852 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.66 -50.75 40.99 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.356 -1.293 . . . . 0.0 110.748 178.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 15' ' ' LEU . . . . . 0.544 HD23 ' HB3' ' C' ' 16' ' ' LEU . 91.7 mt -57.45 -57.04 14.41 Favored 'General case' 0 C--O 1.225 -0.21 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.352 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 16' ' ' TYR . . . . . 0.459 ' HB2' ' O ' ' D' ' 12' ' ' VAL . 1.0 OUTLIER -46.78 -44.4 19.08 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 123.807 0.843 . . . . 0.0 111.656 -179.507 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -62.59 -46.25 89.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.231 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 58.8 t -70.26 -39.7 77.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 19' ' ' CYS . . . . . 0.457 ' HB3' ' HB2' ' D' ' 22' ' ' ARG . 70.1 m -63.04 -27.82 69.67 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.223 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.93 -110.38 3.03 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.72 -0.752 . . . . 0.0 111.86 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -93.38 -5.01 50.43 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.586 0.231 . . . . 0.0 111.117 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 22' ' ' ARG . . . . . 0.457 ' HB2' ' HB3' ' D' ' 19' ' ' CYS . 78.9 mtt180 -81.15 167.01 20.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.029 0.442 . . . . 0.0 110.351 179.021 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 23' ' ' GLY . . . . . 0.472 ' HA3' ' HD2' ' B' ' 28' ' ' PRO . . . -103.04 -152.54 23.76 Favored Glycine 0 N--CA 1.44 -1.08 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 176.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 24' ' ' PHE . . . . . 0.792 ' CZ ' ' HB ' ' D' ' 12' ' ' VAL . 2.8 p90 -166.5 141.26 4.31 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.602 0.715 . . . . 0.0 111.656 178.658 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 25' ' ' PHE . . . . . 0.672 ' HA ' ' HA ' ' B' ' 25' ' ' PHE . 3.0 p90 -99.13 90.55 4.63 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 107.818 -1.178 . . . . 0.0 107.818 177.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 26' ' ' TYR . . . . . 0.444 ' OH ' HD12 ' D' ' 11' ' ' LEU . 8.0 t80 -82.51 92.32 7.06 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.608 -178.097 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 27' ' ' THR . . . . . . . . . . . . . 17.3 p -110.71 94.47 19.84 Favored Pre-proline 0 C--N 1.319 -0.749 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.796 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 28' ' ' PRO . . . . . 0.477 ' HD2' ' HA3' ' B' ' 23' ' ' GLY . 82.7 Cg_endo -78.16 53.71 4.61 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.843 2.362 . . . . 0.0 112.154 -179.305 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 43.7 tttm -155.35 141.04 18.01 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.573 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 8.1 m . . . . . 0 C--O 1.254 1.307 0 CA-C-O 118.227 -0.892 . . . . 0.0 109.258 179.12 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.594 0 N-CA-C 111.642 -0.583 . . . . 0.0 111.642 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' E' E ' 2' ' ' ILE . . . . . . . . . . . . . 10.9 tt -59.17 -38.18 72.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -178.52 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 3' ' ' VAL . . . . . 0.52 HG11 ' HG3' ' F' ' 4' ' ' GLN . 48.1 t -66.41 -46.9 85.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.067 0.46 . . . . 0.0 110.821 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 4' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -66.17 -13.66 60.57 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.652 -0.703 . . . . 0.0 112.116 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 5' ' ' GLN . . . . . 0.552 ' HG2' ' SG ' ' E' ' 11' ' ' CYS . 35.5 tt0 -106.84 -36.98 6.51 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -178.164 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 6' ' ' CYS . . . . . . . . . . . . . 84.8 m -98.88 -31.48 11.82 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 113.47 0.915 . . . . 0.0 113.47 -177.381 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 7' ' ' CYS . . . . . 0.454 ' HB2' HD11 ' F' ' 11' ' ' LEU . 42.0 t -79.23 -16.13 56.98 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.114 0.483 . . . . 0.0 110.523 -179.598 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.31 -59.17 2.91 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.582 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 9' ' ' SER . . . . . 0.423 ' O ' ' HB ' ' E' ' 10' ' ' ILE . 58.1 m -149.43 30.87 0.75 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -179.51 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 10' ' ' ILE . . . . . 0.784 HD13 ' HB3' ' J' ' 3' ' ' ASN . 1.7 mp 70.82 141.7 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 CA-C-O 121.478 0.656 . . . . 0.0 112.725 178.719 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 11' ' ' CYS . . . . . 0.552 ' SG ' ' HG2' ' E' ' 5' ' ' GLN . 98.0 m -103.49 161.61 13.73 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.225 178.85 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 12' ' ' SER . . . . . . . . . . . . . 8.0 m -69.3 159.82 32.39 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.225 179.022 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 7.0 tt -60.72 -55.82 28.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.611 0.243 . . . . 0.0 110.768 -179.2 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 12.6 p90 -65.02 -19.55 66.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.858 0.361 . . . . 0.0 111.04 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -71.0 -38.4 72.68 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.905 179.089 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 16' ' ' LEU . . . . . 0.533 ' HB3' HD23 ' F' ' 15' ' ' LEU . 92.6 mt -68.51 -28.54 67.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.249 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 17' ' ' GLU . . . . . . . . . . . . . 75.1 tt0 -65.99 -18.26 65.22 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.049 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 18' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -74.25 -4.19 34.57 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.229 0.538 . . . . 0.0 110.627 179.331 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 19' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -111.43 -103.57 0.39 Allowed 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 178.715 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 20' ' ' CYS . . . . . 0.458 ' HB3' ' H ' ' E' ' 21' ' ' ASN . 37.1 m 52.4 -126.29 2.41 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 178.65 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 21' ' ' ASN . . . . . 0.458 ' H ' ' HB3' ' E' ' 20' ' ' CYS . 0.7 OUTLIER . . . . . 0 C--O 1.247 0.948 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 -179.643 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 1' ' ' PHE . . . . . . . . . . . . . 50.0 t80 . . . . . 0 N--CA 1.482 1.149 0 CA-C-O 120.547 0.213 . . . . 0.0 110.591 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' F' F ' 2' ' ' VAL . . . . . 0.409 HG23 ' H ' ' F' ' 3' ' ' ASN . 21.7 m 39.8 -125.63 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 C-N-CA 123.919 0.888 . . . . 0.0 112.9 -179.496 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 3' ' ' ASN . . . . . 0.825 ' HB3' HD13 ' A' ' 10' ' ' ILE . 20.2 t-20 -164.52 164.13 21.85 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 120.5 0.19 . . . . 0.0 110.636 -178.778 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 4' ' ' GLN . . . . . 0.52 ' HG3' HG11 ' E' ' 3' ' ' VAL . 7.8 tt0 -51.42 -29.12 14.88 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 123.286 0.634 . . . . 0.0 110.883 178.861 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 5' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -54.88 -19.96 7.75 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.3 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 6' ' ' LEU . . . . . 0.412 ' HA ' HD23 ' F' ' 6' ' ' LEU . 22.4 mt -114.79 -39.9 3.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.877 0.37 . . . . 0.0 110.799 178.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 7' ' ' CYS . . . . . . . . . . . . . 42.4 t -67.16 -43.51 82.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.369 -179.363 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.74 -35.85 92.5 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.921 -0.657 . . . . 0.0 113.036 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 9' ' ' SER . . . . . 0.53 ' O ' HG22 ' F' ' 12' ' ' VAL . 1.5 m -60.79 -33.63 73.27 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.898 0.38 . . . . 0.0 111.734 -179.548 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 10' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -88.28 -7.12 57.26 Favored 'General case' 0 CA--C 1.512 -0.517 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 -178.534 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 11' ' ' LEU . . . . . 0.454 HD11 ' HB2' ' E' ' 7' ' ' CYS . 45.0 mt -73.59 -17.57 61.16 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 177.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 12' ' ' VAL . . . . . 0.877 HG21 HG21 ' H' ' 12' ' ' VAL . 5.0 m -71.48 -34.89 54.71 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.438 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.631 179.222 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 13' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -56.05 -42.59 76.83 Favored 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.78 -50.4 43.55 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.505 -1.225 . . . . 0.0 110.864 178.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 15' ' ' LEU . . . . . 0.533 HD23 ' HB3' ' E' ' 16' ' ' LEU . 90.9 mt -57.98 -57.05 14.53 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.194 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 16' ' ' TYR . . . . . 0.465 ' HB2' ' O ' ' F' ' 12' ' ' VAL . 1.0 OUTLIER -46.59 -44.52 18.18 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 123.789 0.835 . . . . 0.0 111.633 -179.562 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -62.78 -45.86 90.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.255 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 62.4 t -70.71 -38.13 71.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.019 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 19' ' ' CYS . . . . . 0.447 ' HB3' ' HB2' ' F' ' 22' ' ' ARG . 79.6 m -64.8 -27.81 69.14 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.149 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.94 -110.17 2.96 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.002 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 21' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -94.82 -2.73 50.26 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.788 0.328 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 22' ' ' ARG . . . . . 0.447 ' HB2' ' HB3' ' F' ' 19' ' ' CYS . 76.9 mtt180 -83.08 167.58 17.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.228 -0.442 . . . . 0.0 109.931 179.027 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 23' ' ' GLY . . . . . 0.463 ' HA3' ' HD2' ' H' ' 28' ' ' PRO . . . -104.13 -152.94 22.79 Favored Glycine 0 N--CA 1.442 -0.902 0 N-CA-C 109.602 -1.399 . . . . 0.0 109.602 177.062 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 24' ' ' PHE . . . . . 0.781 ' CZ ' ' HB ' ' F' ' 12' ' ' VAL . 2.8 p90 -166.07 141.13 4.65 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.625 0.726 . . . . 0.0 111.713 178.761 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 25' ' ' PHE . . . . . 0.671 ' HA ' ' HA ' ' H' ' 25' ' ' PHE . 2.8 p90 -99.2 90.41 4.57 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 107.702 -1.221 . . . . 0.0 107.702 177.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 26' ' ' TYR . . . . . 0.418 ' HD1' ' HD3' ' F' ' 28' ' ' PRO . 7.9 t80 -82.51 92.75 7.13 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.454 -178.217 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 27' ' ' THR . . . . . . . . . . . . . 18.0 p -111.41 94.46 22.57 Favored Pre-proline 0 C--N 1.319 -0.733 0 CA-C-N 115.177 -0.92 . . . . 0.0 109.56 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 28' ' ' PRO . . . . . 0.486 ' HD2' ' HA3' ' H' ' 23' ' ' GLY . 75.5 Cg_endo -77.83 50.8 3.38 Favored 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 122.928 2.418 . . . . 0.0 112.398 -179.018 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 29' ' ' LYS . . . . . . . . . . . . . 42.8 tttm -153.25 139.0 17.93 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.066 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 30' ' ' THR . . . . . . . . . . . . . 10.2 m . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.199 -0.905 . . . . 0.0 109.432 179.234 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' G' G ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.733 0 N-CA-C 111.737 -0.545 . . . . 0.0 111.737 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' G' G ' 2' ' ' ILE . . . . . . . . . . . . . 10.8 tt -61.36 -37.86 78.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 111.865 0.321 . . . . 0.0 111.865 -178.742 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 3' ' ' VAL . . . . . 0.489 HG11 ' HG3' ' H' ' 4' ' ' GLN . 47.1 t -66.67 -47.52 82.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.983 0.421 . . . . 0.0 110.535 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' G' G ' 4' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -65.68 -13.43 59.21 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.707 -0.678 . . . . 0.0 112.043 -179.612 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 5' ' ' GLN . . . . . 0.553 ' HG2' ' SG ' ' G' ' 11' ' ' CYS . 35.3 tt0 -106.51 -37.65 6.41 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -178.275 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' G' G ' 6' ' ' CYS . . . . . . . . . . . . . 86.1 m -98.64 -31.4 11.95 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 113.512 0.931 . . . . 0.0 113.512 -177.32 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 7' ' ' CYS . . . . . 0.459 ' HB2' HD11 ' H' ' 11' ' ' LEU . 41.5 t -78.82 -16.47 57.07 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.512 -179.769 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' G' G ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.55 -60.23 2.38 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.631 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' G' G ' 9' ' ' SER . . . . . 0.445 ' O ' ' HB ' ' G' ' 10' ' ' ILE . 66.9 m -148.55 30.43 0.83 Allowed 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -179.51 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' G' G ' 10' ' ' ILE . . . . . 0.772 HD13 ' HB3' ' D' ' 3' ' ' ASN . 1.7 mp 71.51 141.9 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 CA-C-O 121.644 0.735 . . . . 0.0 112.908 178.706 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' G' G ' 11' ' ' CYS . . . . . 0.553 ' SG ' ' HG2' ' G' ' 5' ' ' GLN . 98.8 m -103.69 161.97 13.47 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.137 179.151 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' G' G ' 12' ' ' SER . . . . . . . . . . . . . 8.4 m -69.3 160.5 31.12 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.071 179.095 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 13' ' ' LEU . . . . . . . . . . . . . 7.0 tt -61.12 -56.26 22.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.729 0.3 . . . . 0.0 110.571 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 11.0 p90 -64.42 -19.48 65.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.89 0.376 . . . . 0.0 111.181 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -71.72 -36.64 70.57 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.106 0.479 . . . . 0.0 110.026 179.147 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 16' ' ' LEU . . . . . 0.535 ' HB3' HD23 ' H' ' 15' ' ' LEU . 91.3 mt -70.08 -28.38 65.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.075 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' G' G ' 17' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -66.12 -18.43 65.34 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 120.994 0.426 . . . . 0.0 111.136 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 18' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -73.58 -5.05 37.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.123 0.487 . . . . 0.0 110.672 179.329 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 19' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -110.62 -103.53 0.39 Allowed 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 178.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 20' ' ' CYS . . . . . 0.425 ' HB3' ' H ' ' G' ' 21' ' ' ASN . 36.3 m 52.33 -126.67 2.43 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 178.466 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' G' G ' 21' ' ' ASN . . . . . 0.425 ' H ' ' HB3' ' G' ' 20' ' ' CYS . 0.6 OUTLIER . . . . . 0 C--O 1.242 0.685 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 -179.481 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' H' H ' 1' ' ' PHE . . . . . . . . . . . . . 50.3 t80 . . . . . 0 N--CA 1.481 1.12 0 CA-C-O 120.179 0.037 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' H' H ' 2' ' ' VAL . . . . . . . . . . . . . 21.8 m 40.43 -125.62 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 123.978 0.911 . . . . 0.0 112.904 -179.496 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 3' ' ' ASN . . . . . 0.788 ' HB3' HD13 ' K' ' 10' ' ' ILE . 19.6 t-20 -164.77 164.21 21.18 Favored 'General case' 0 C--O 1.236 0.35 0 O-C-N 122.414 -0.178 . . . . 0.0 110.651 -178.771 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' H' H ' 4' ' ' GLN . . . . . 0.489 ' HG3' HG11 ' G' ' 3' ' ' VAL . 8.3 tt0 -51.29 -29.69 15.64 Favored 'General case' 0 N--CA 1.462 0.139 0 C-N-CA 123.283 0.633 . . . . 0.0 110.89 178.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' H' H ' 5' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -54.05 -20.31 6.23 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.575 179.663 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 6' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' H' ' 6' ' ' LEU . 22.7 mt -114.63 -40.4 3.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.556 178.786 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' H' H ' 7' ' ' CYS . . . . . . . . . . . . . 46.6 t -66.15 -44.35 84.39 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.741 0.305 . . . . 0.0 111.417 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.27 -35.84 92.18 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 121.048 -0.596 . . . . 0.0 113.046 -179.7 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 9' ' ' SER . . . . . 0.512 ' O ' HG22 ' H' ' 12' ' ' VAL . 1.6 m -60.97 -33.48 73.28 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.797 0.332 . . . . 0.0 111.774 -179.619 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' H' H ' 10' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -88.76 -7.02 57.0 Favored 'General case' 0 CA--C 1.511 -0.549 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -178.59 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 11' ' ' LEU . . . . . 0.459 HD11 ' HB2' ' G' ' 7' ' ' CYS . 46.5 mt -73.06 -17.97 61.37 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 177.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' H' H ' 12' ' ' VAL . . . . . 0.877 HG21 HG21 ' F' ' 12' ' ' VAL . 5.0 m -71.25 -34.82 55.64 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.398 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.7 179.299 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' H' H ' 13' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -56.2 -42.3 76.95 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-O 121.943 0.878 . . . . 0.0 108.868 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.13 -50.59 39.06 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 114.408 -1.269 . . . . 0.0 110.896 178.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 15' ' ' LEU . . . . . 0.535 HD23 ' HB3' ' G' ' 16' ' ' LEU . 89.4 mt -57.47 -56.81 17.02 Favored 'General case' 0 C--O 1.225 -0.186 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.24 179.766 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' H' H ' 16' ' ' TYR . . . . . 0.475 ' HB2' ' O ' ' H' ' 12' ' ' VAL . 1.0 OUTLIER -47.24 -43.77 22.17 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 123.768 0.827 . . . . 0.0 111.745 -179.372 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -63.4 -45.65 90.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.228 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 58.2 t -70.57 -38.68 74.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.136 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 19' ' ' CYS . . . . . 0.464 ' HB3' ' HB2' ' H' ' 22' ' ' ARG . 69.0 m -64.7 -26.01 68.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.241 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' H' H ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.0 -108.45 2.53 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.521 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 21' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -95.78 -4.57 43.68 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.728 0.299 . . . . 0.0 110.869 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 22' ' ' ARG . . . . . 0.464 ' HB2' ' HB3' ' H' ' 19' ' ' CYS . 78.5 mtt180 -81.5 167.57 19.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.163 179.16 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' H' H ' 23' ' ' GLY . . . . . 0.486 ' HA3' ' HD2' ' F' ' 28' ' ' PRO . . . -104.44 -153.28 22.59 Favored Glycine 0 N--CA 1.442 -0.963 0 N-CA-C 109.649 -1.381 . . . . 0.0 109.649 177.315 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' H' H ' 24' ' ' PHE . . . . . 0.78 ' CZ ' ' HB ' ' H' ' 12' ' ' VAL . 2.9 p90 -165.78 141.34 4.98 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 121.692 0.758 . . . . 0.0 111.624 178.751 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' H' H ' 25' ' ' PHE . . . . . 0.671 ' HA ' ' HA ' ' F' ' 25' ' ' PHE . 2.3 p90 -99.36 90.46 4.55 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 178.063 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' H' H ' 26' ' ' TYR . . . . . 0.437 ' OH ' HD12 ' H' ' 11' ' ' LEU . 8.1 t80 -82.38 92.54 7.02 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.517 -178.05 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' H' H ' 27' ' ' THR . . . . . . . . . . . . . 19.0 p -110.9 95.1 22.48 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.615 179.539 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 28' ' ' PRO . . . . . 0.463 ' HD2' ' HA3' ' F' ' 23' ' ' GLY . 76.6 Cg_endo -78.41 52.18 4.03 Favored 'Trans proline' 0 N--CA 1.464 -0.216 0 C-N-CA 122.795 2.33 . . . . 0.0 112.285 -179.351 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' H' H ' 29' ' ' LYS . . . . . . . . . . . . . 44.5 tttm -153.47 143.52 22.15 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.282 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 30' ' ' THR . . . . . . . . . . . . . 6.4 m . . . . . 0 C--O 1.253 1.247 0 CA-C-O 118.114 -0.946 . . . . 0.0 108.891 178.93 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' I' I ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.998 0 N-CA-C 111.803 -0.519 . . . . 0.0 111.803 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' I' I ' 2' ' ' ILE . . . . . . . . . . . . . 10.9 tt -61.49 -38.24 79.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.886 0.374 . . . . 0.0 111.935 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 3' ' ' VAL . . . . . 0.488 HG11 ' HG3' ' J' ' 4' ' ' GLN . 46.3 t -66.42 -48.1 81.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.05 0.452 . . . . 0.0 110.468 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' I' I ' 4' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -65.62 -12.76 56.13 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.916 -0.583 . . . . 0.0 112.237 -179.671 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 5' ' ' GLN . . . . . 0.544 ' HG2' ' SG ' ' I' ' 11' ' ' CYS . 35.0 tt0 -107.03 -37.35 6.34 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -178.273 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' I' I ' 6' ' ' CYS . . . . . . . . . . . . . 81.5 m -98.36 -32.63 11.42 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 -177.465 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 7' ' ' CYS . . . . . 0.431 ' HB2' HD11 ' J' ' 11' ' ' LEU . 43.2 t -77.9 -17.32 57.43 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.944 0.402 . . . . 0.0 110.618 -179.624 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' I' I ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.48 -58.67 3.46 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.782 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' I' I ' 9' ' ' SER . . . . . 0.433 ' O ' ' HB ' ' I' ' 10' ' ' ILE . 49.5 m -149.98 30.55 0.71 Allowed 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -179.378 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' I' I ' 10' ' ' ILE . . . . . 0.824 HD13 ' HB3' ' B' ' 3' ' ' ASN . 1.7 mp 70.75 141.16 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 CA-C-O 121.631 0.729 . . . . 0.0 112.888 178.794 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' I' I ' 11' ' ' CYS . . . . . 0.544 ' SG ' ' HG2' ' I' ' 5' ' ' GLN . 98.2 m -102.89 161.2 13.94 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.466 179.064 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' I' I ' 12' ' ' SER . . . . . . . . . . . . . 6.5 m -68.55 159.46 31.83 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.252 178.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 13' ' ' LEU . . . . . . . . . . . . . 7.1 tt -60.45 -55.97 27.08 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.841 0.353 . . . . 0.0 110.699 -179.656 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 12.2 p90 -64.89 -19.95 66.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.912 0.387 . . . . 0.0 110.935 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -70.87 -37.38 73.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.998 179.118 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 16' ' ' LEU . . . . . 0.53 ' HB3' HD23 ' J' ' 15' ' ' LEU . 91.9 mt -69.78 -28.01 65.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.183 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' I' I ' 17' ' ' GLU . . . . . . . . . . . . . 75.0 tt0 -66.59 -17.58 64.9 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.027 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 18' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -74.5 -5.01 40.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.129 0.49 . . . . 0.0 110.501 179.221 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 19' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -111.03 -103.62 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 178.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 20' ' ' CYS . . . . . . . . . . . . . 40.1 m 52.75 -126.35 2.43 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 178.608 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.246 0.917 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 -179.589 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' J' J ' 1' ' ' PHE . . . . . . . . . . . . . 50.0 t80 . . . . . 0 N--CA 1.48 1.044 0 CA-C-O 120.27 0.081 . . . . 0.0 111.071 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' J' J ' 2' ' ' VAL . . . . . 0.403 HG23 ' H ' ' J' ' 3' ' ' ASN . 19.7 m 40.21 -125.72 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 123.969 0.908 . . . . 0.0 112.552 -179.399 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' J' J ' 3' ' ' ASN . . . . . 0.784 ' HB3' HD13 ' E' ' 10' ' ' ILE . 19.5 t-20 -164.53 164.1 21.83 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 110.53 -0.174 . . . . 0.0 110.53 -178.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' J' J ' 4' ' ' GLN . . . . . 0.488 ' HG3' HG11 ' I' ' 3' ' ' VAL . 8.6 tt0 -50.47 -30.35 12.49 Favored 'General case' 0 N--CA 1.463 0.201 0 C-N-CA 123.464 0.706 . . . . 0.0 110.824 178.835 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' J' J ' 5' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -53.75 -20.55 5.73 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.424 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' J' J ' 6' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' J' ' 6' ' ' LEU . 22.9 mt -114.44 -40.52 3.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.684 178.725 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' J' J ' 7' ' ' CYS . . . . . . . . . . . . . 42.5 t -66.15 -43.77 86.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.614 -0.267 . . . . 0.0 111.571 -179.409 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' J' J ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.92 -35.53 92.16 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.978 -0.63 . . . . 0.0 112.946 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' J' J ' 9' ' ' SER . . . . . 0.515 ' O ' HG22 ' J' ' 12' ' ' VAL . 1.7 m -61.03 -33.93 74.05 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.768 0.318 . . . . 0.0 111.676 -179.462 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' J' J ' 10' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -88.14 -7.06 57.48 Favored 'General case' 0 CA--C 1.511 -0.556 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -178.624 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' J' J ' 11' ' ' LEU . . . . . 0.442 HD12 ' OH ' ' J' ' 26' ' ' TYR . 46.2 mt -72.93 -18.16 61.42 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 177.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' J' J ' 12' ' ' VAL . . . . . 0.876 HG21 HG21 ' L' ' 12' ' ' VAL . 4.9 m -70.99 -35.34 58.94 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.492 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.794 179.145 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' J' J ' 13' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -55.68 -42.47 75.18 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' J' J ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.96 -50.73 38.91 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.403 -1.271 . . . . 0.0 110.958 178.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' J' J ' 15' ' ' LEU . . . . . 0.53 HD23 ' HB3' ' I' ' 16' ' ' LEU . 91.1 mt -57.55 -56.54 20.6 Favored 'General case' 0 C--O 1.224 -0.27 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.267 179.705 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' J' J ' 16' ' ' TYR . . . . . 0.458 ' HB2' ' O ' ' J' ' 12' ' ' VAL . 1.1 t80 -47.1 -44.22 21.1 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 123.738 0.815 . . . . 0.0 111.729 -179.444 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -63.52 -44.89 92.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.249 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 57.8 t -71.68 -37.19 62.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.873 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' J' J ' 19' ' ' CYS . . . . . 0.452 ' HB3' ' HB2' ' J' ' 22' ' ' ARG . 76.4 m -66.09 -25.86 67.21 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.281 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' J' J ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.87 -108.99 2.66 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 121.002 -0.618 . . . . 0.0 112.374 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' J' J ' 21' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -95.42 -3.61 46.68 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.849 0.357 . . . . 0.0 110.894 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' J' J ' 22' ' ' ARG . . . . . 0.452 ' HB2' ' HB3' ' J' ' 19' ' ' CYS . 77.8 mtt180 -82.16 167.78 18.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.129 0.49 . . . . 0.0 109.976 179.06 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' J' J ' 23' ' ' GLY . . . . . 0.46 ' HA3' ' HD2' ' L' ' 28' ' ' PRO . . . -104.07 -153.05 22.92 Favored Glycine 0 N--CA 1.44 -1.056 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 177.015 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' J' J ' 24' ' ' PHE . . . . . 0.771 ' CZ ' ' HB ' ' J' ' 12' ' ' VAL . 2.9 p90 -166.15 141.04 4.56 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.593 0.711 . . . . 0.0 111.503 178.742 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' J' J ' 25' ' ' PHE . . . . . 0.658 ' HA ' ' HA ' ' L' ' 25' ' ' PHE . 2.8 p90 -99.14 90.21 4.51 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 178.128 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' J' J ' 26' ' ' TYR . . . . . 0.442 ' OH ' HD12 ' J' ' 11' ' ' LEU . 8.0 t80 -82.34 92.6 7.01 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.564 -178.107 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' J' J ' 27' ' ' THR . . . . . . . . . . . . . 16.7 p -110.9 93.99 18.95 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.744 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' J' J ' 28' ' ' PRO . . . . . 0.498 ' HD2' ' HA3' ' L' ' 23' ' ' GLY . 82.4 Cg_endo -77.76 52.71 4.08 Favored 'Trans proline' 0 C--O 1.235 0.365 0 C-N-CA 122.758 2.306 . . . . 0.0 112.296 -179.37 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' J' J ' 29' ' ' LYS . . . . . . . . . . . . . 43.9 tttm -154.09 142.58 20.7 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.509 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' J' J ' 30' ' ' THR . . . . . . . . . . . . . 14.2 m . . . . . 0 C--O 1.253 1.27 0 CA-C-O 118.126 -0.94 . . . . 0.0 109.358 179.33 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.582 0 N-CA-C 112.615 -0.194 . . . . 0.0 112.615 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' K' K ' 2' ' ' ILE . . . . . . . . . . . . . 11.0 tt -60.69 -38.54 78.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.729 0.299 . . . . 0.0 111.607 -178.624 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' K' K ' 3' ' ' VAL . . . . . 0.502 HG11 ' HG3' ' L' ' 4' ' ' GLN . 46.3 t -66.06 -47.71 84.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.02 0.438 . . . . 0.0 110.836 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' K' K ' 4' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -65.93 -13.35 59.58 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.758 -0.655 . . . . 0.0 112.1 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' K' K ' 5' ' ' GLN . . . . . 0.548 ' HG2' ' SG ' ' K' ' 11' ' ' CYS . 34.3 tt0 -106.33 -37.95 6.38 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -178.412 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' K' K ' 6' ' ' CYS . . . . . . . . . . . . . 83.5 m -97.71 -33.24 11.37 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 113.42 0.896 . . . . 0.0 113.42 -177.421 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' K' K ' 7' ' ' CYS . . . . . 0.433 ' HB2' HD11 ' L' ' 11' ' ' LEU . 43.2 t -77.09 -18.01 58.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 121.984 -0.447 . . . . 0.0 110.614 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' K' K ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -69.32 -58.89 3.43 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' K' K ' 9' ' ' SER . . . . . 0.419 ' O ' ' HB ' ' K' ' 10' ' ' ILE . 50.1 m -150.32 31.74 0.66 Allowed 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -179.364 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' K' K ' 10' ' ' ILE . . . . . 0.788 HD13 ' HB3' ' H' ' 3' ' ' ASN . 1.7 mp 70.51 143.17 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 CA-C-O 121.582 0.706 . . . . 0.0 112.821 178.579 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' K' K ' 11' ' ' CYS . . . . . 0.548 ' SG ' ' HG2' ' K' ' 5' ' ' GLN . 95.9 m -104.82 162.41 13.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.917 179.269 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' K' K ' 12' ' ' SER . . . . . . . . . . . . . 6.5 m -70.35 159.26 34.46 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.234 179.11 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' K' K ' 13' ' ' LEU . . . . . . . . . . . . . 7.0 tt -60.01 -55.13 37.74 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.676 0.274 . . . . 0.0 110.867 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 11.3 p90 -65.88 -19.02 65.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.97 0.415 . . . . 0.0 111.153 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -71.74 -36.55 70.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.164 0.506 . . . . 0.0 109.91 179.125 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' K' K ' 16' ' ' LEU . . . . . 0.51 ' HB3' HD23 ' L' ' 15' ' ' LEU . 92.7 mt -70.18 -28.36 65.26 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.119 179.753 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' K' K ' 17' ' ' GLU . . . . . . . . . . . . . 76.4 tt0 -66.15 -18.38 65.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.173 -179.677 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' K' K ' 18' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -73.95 -5.89 43.99 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.15 0.5 . . . . 0.0 110.71 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' K' K ' 19' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -109.72 -102.73 0.38 Allowed 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 178.687 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' K' K ' 20' ' ' CYS . . . . . 0.447 ' HB3' ' H ' ' K' ' 21' ' ' ASN . 36.3 m 51.9 -126.35 2.39 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 178.571 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' K' K ' 21' ' ' ASN . . . . . 0.447 ' H ' ' HB3' ' K' ' 20' ' ' CYS . 0.7 OUTLIER . . . . . 0 C--O 1.246 0.893 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 -179.391 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' L' L ' 1' ' ' PHE . . . . . . . . . . . . . 50.3 t80 . . . . . 0 N--CA 1.481 1.083 0 N-CA-C 111.254 0.094 . . . . 0.0 111.254 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' L' L ' 2' ' ' VAL . . . . . . . . . . . . . 20.2 m 40.97 -126.29 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 124.089 0.956 . . . . 0.0 112.595 -179.222 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' L' L ' 3' ' ' ASN . . . . . 0.801 ' HB3' HD13 ' C' ' 10' ' ' ILE . 20.4 t-20 -163.98 164.64 23.09 Favored 'General case' 0 C--O 1.237 0.396 0 O-C-N 122.269 -0.269 . . . . 0.0 110.671 -178.859 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' L' L ' 4' ' ' GLN . . . . . 0.502 ' HG3' HG11 ' K' ' 3' ' ' VAL . 8.7 tt0 -51.33 -29.71 16.08 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 123.312 0.645 . . . . 0.0 110.955 178.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' L' L ' 5' ' ' HIS . . . . . . . . . . . . . 70.9 t60 -54.3 -20.18 6.68 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.448 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' L' L ' 6' ' ' LEU . . . . . . . . . . . . . 22.9 mt -114.63 -40.39 3.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.618 178.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' L' L ' 7' ' ' CYS . . . . . . . . . . . . . 43.5 t -66.42 -44.14 83.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.594 -179.38 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' L' L ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.47 -35.67 92.06 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 121.026 -0.607 . . . . 0.0 113.02 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' L' L ' 9' ' ' SER . . . . . 0.516 ' O ' HG22 ' L' ' 12' ' ' VAL . 1.6 m -61.01 -33.24 72.95 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.887 0.375 . . . . 0.0 111.834 -179.577 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' L' L ' 10' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -88.57 -7.59 56.18 Favored 'General case' 0 CA--C 1.51 -0.566 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -178.617 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' L' L ' 11' ' ' LEU . . . . . 0.433 HD11 ' HB2' ' K' ' 7' ' ' CYS . 45.4 mt -72.85 -17.84 61.5 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 177.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' L' L ' 12' ' ' VAL . . . . . 0.876 HG21 HG21 ' J' ' 12' ' ' VAL . 5.0 m -71.34 -34.94 55.58 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.585 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.637 179.135 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' L' L ' 13' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -55.98 -42.77 76.81 Favored 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' L' L ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.48 -50.72 42.71 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.444 -1.253 . . . . 0.0 110.849 178.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' L' L ' 15' ' ' LEU . . . . . 0.51 HD23 ' HB3' ' K' ' 16' ' ' LEU . 90.4 mt -57.72 -56.65 19.22 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.294 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' L' L ' 16' ' ' TYR . . . . . 0.459 ' HB2' ' O ' ' L' ' 12' ' ' VAL . 1.0 OUTLIER -47.32 -43.16 22.44 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.667 -179.476 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -63.93 -45.65 88.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.249 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 57.6 t -70.7 -38.03 71.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.187 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' L' L ' 19' ' ' CYS . . . . . 0.454 ' HB3' ' HB2' ' L' ' 22' ' ' ARG . 81.3 m -64.83 -27.32 68.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.227 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' L' L ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.37 -108.82 2.64 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.301 179.715 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' L' L ' 21' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -96.2 -3.22 44.71 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.987 0.422 . . . . 0.0 110.839 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' L' L ' 22' ' ' ARG . . . . . 0.454 ' HB2' ' HB3' ' L' ' 19' ' ' CYS . 78.3 mtt180 -82.32 167.14 18.87 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.088 178.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' L' L ' 23' ' ' GLY . . . . . 0.498 ' HA3' ' HD2' ' J' ' 28' ' ' PRO . . . -103.79 -153.43 23.38 Favored Glycine 0 N--CA 1.441 -0.969 0 N-CA-C 109.718 -1.353 . . . . 0.0 109.718 177.053 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' L' L ' 24' ' ' PHE . . . . . 0.791 ' CZ ' ' HB ' ' L' ' 12' ' ' VAL . 2.9 p90 -165.78 141.52 5.04 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.696 0.76 . . . . 0.0 111.683 178.811 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' L' L ' 25' ' ' PHE . . . . . 0.658 ' HA ' ' HA ' ' J' ' 25' ' ' PHE . 2.6 p90 -99.36 90.42 4.53 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 177.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' L' L ' 26' ' ' TYR . . . . . 0.431 ' OH ' HD12 ' L' ' 11' ' ' LEU . 8.4 t80 -82.43 92.45 7.03 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.584 -178.124 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' L' L ' 27' ' ' THR . . . . . . . . . . . . . 18.1 p -110.73 94.98 21.41 Favored Pre-proline 0 C--N 1.32 -0.679 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.435 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' L' L ' 28' ' ' PRO . . . . . 0.46 ' HD2' ' HA3' ' J' ' 23' ' ' GLY . 71.7 Cg_endo -77.99 50.14 3.2 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.831 2.354 . . . . 0.0 112.389 -179.167 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' L' L ' 29' ' ' LYS . . . . . . . . . . . . . 45.5 tttm . . . . . 0 C--N 1.322 -0.622 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.64 -179.939 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.521 0 N-CA-C 111.674 -0.57 . . . . 0.0 111.674 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.74 HD11 HD11 ' B' ' 15' ' ' LEU . 7.1 tt -160.66 -45.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 O-C-N 122.609 -0.347 . . . . 0.0 111.105 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.636 HG21 ' HA ' ' B' ' 28' ' ' PRO . 21.1 t -51.91 -49.22 38.28 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.482 -179.103 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.431 ' O ' HG22 ' A' ' 8' ' ' THR . 31.3 tt0 -99.06 -45.76 5.82 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 120.549 -0.46 . . . . 0.0 109.97 179.298 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -44.85 -52.18 8.81 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.948 0.721 . . . . 0.0 112.948 -179.607 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.538 ' O ' ' HA ' ' A' ' 10' ' ' ILE . 81.6 m -81.26 -14.85 56.99 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -178.101 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.0 t -98.03 -22.7 16.12 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 120.253 -0.579 . . . . 0.0 111.326 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.523 HG23 ' H ' ' A' ' 9' ' ' SER . 11.1 t -80.27 -66.84 0.83 Allowed 'General case' 0 CA--C 1.535 0.379 0 O-C-N 121.725 -0.609 . . . . 0.0 111.343 -179.151 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.576 ' O ' ' HB ' ' A' ' 10' ' ' ILE . 29.6 m -105.53 -4.98 20.61 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 117.713 0.233 . . . . 0.0 111.145 -179.545 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.713 HD13 ' HB3' ' F' ' 5' ' ' HIS . 34.6 mt 77.03 138.09 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 CA-C-O 121.505 0.669 . . . . 0.0 112.334 179.153 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 77.5 m -101.08 141.29 34.18 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.038 179.202 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.1 m -71.55 165.82 23.09 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 178.548 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.403 HD11 HD11 ' G' ' 13' ' ' LEU . 7.5 tt -54.38 -46.38 73.05 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.685 0.278 . . . . 0.0 110.762 -179.581 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 13.6 m-30 -63.43 -31.95 73.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.776 0.322 . . . . 0.0 111.222 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -71.37 -39.15 71.41 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.141 179.22 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.535 ' HB3' HD23 ' B' ' 15' ' ' LEU . 96.1 mt -64.42 -32.06 73.52 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.265 179.691 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -62.35 -19.44 63.35 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.817 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -74.9 -12.9 60.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.787 0.327 . . . . 0.0 110.941 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -120.05 30.15 7.15 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.468 0.652 . . . . 0.0 110.124 -179.313 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.7 t -102.91 177.21 4.91 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.321 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 49.0 t30 . . . . . 0 C--O 1.251 1.18 0 CA-C-O 118.437 -0.792 . . . . 0.0 110.18 179.656 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 1' ' ' PHE . . . . . 0.442 ' N ' ' HA ' ' I' ' 8' ' ' THR . 17.3 p90 . . . . . 0 N--CA 1.481 1.107 0 N-CA-C 111.562 0.208 . . . . 0.0 111.562 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 21.6 t -78.23 74.63 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.095 0 CA-C-O 121.657 0.742 . . . . 0.0 109.566 179.541 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 3' ' ' ASN . . . . . 0.806 ' HB3' ' HB3' ' B' ' 7' ' ' CYS . 77.1 m-20 -76.46 0.26 20.43 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.683 -178.69 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 4' ' ' GLN . . . . . 0.402 ' HB3' HG12 ' A' ' 3' ' ' VAL . 33.2 mt-30 -66.52 -36.01 81.66 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.16 0.505 . . . . 0.0 110.415 179.403 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 5' ' ' HIS . . . . . 0.745 ' HB3' HD13 ' I' ' 10' ' ' ILE . 72.9 t60 -97.87 -7.82 29.52 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.754 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.568 ' HB2' ' HA ' ' B' ' 3' ' ' ASN . 77.0 mt -101.34 -76.42 0.57 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.887 179.405 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 7' ' ' CYS . . . . . 0.806 ' HB3' ' HB3' ' B' ' 3' ' ' ASN . 0.0 OUTLIER -64.42 -33.58 76.2 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.292 178.764 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 8' ' ' GLY . . . . . 0.716 ' HA2' ' HG ' ' B' ' 11' ' ' LEU . . . -55.78 -30.99 57.64 Favored Glycine 0 C--N 1.336 0.55 0 C-N-CA 121.167 -0.54 . . . . 0.0 112.269 178.719 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 9' ' ' SER . . . . . 0.534 ' HB3' ' HG3' ' D' ' 13' ' ' GLU . 13.4 m -69.34 -7.18 34.97 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.002 0.43 . . . . 0.0 111.102 179.241 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 -114.22 -8.07 12.96 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.784 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.716 ' HG ' ' HA2' ' B' ' 8' ' ' GLY . 70.2 mt -66.42 -33.86 76.66 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 177.352 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.55 ' O ' ' HB2' ' B' ' 16' ' ' TYR . 2.9 m -67.61 -31.68 53.57 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.413 0 CA-C-N 114.602 -1.181 . . . . 0.0 110.791 178.176 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.546 ' HG3' ' HB3' ' D' ' 9' ' ' SER . 41.2 tt0 -62.49 -39.24 92.84 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 179.556 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.66 -46.61 62.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.937 178.176 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.74 HD11 HD11 ' A' ' 2' ' ' ILE . 60.0 mt -58.03 -42.01 84.44 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.627 0.727 . . . . 0.0 109.895 178.841 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 16' ' ' TYR . . . . . 0.55 ' HB2' ' O ' ' B' ' 12' ' ' VAL . 1.5 t80 -53.73 -45.46 70.51 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.37 -1.286 . . . . 0.0 110.916 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.415 HD13 ' NE2' ' D' ' 5' ' ' HIS . 3.9 mm? -68.43 -45.27 72.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.139 179.635 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 65.6 t -64.0 -45.2 97.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.36 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 81.0 m -73.61 -19.35 60.89 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.115 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.09 -107.92 2.25 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.819 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -112.15 13.08 20.54 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.993 0.425 . . . . 0.0 111.116 -179.315 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 65.9 mtp180 -77.08 -73.43 0.29 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.321 0.581 . . . . 0.0 109.848 178.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 23' ' ' GLY . . . . . 0.489 ' CA ' ' HD2' ' D' ' 28' ' ' PRO . . . 138.56 -176.77 20.62 Favored Glycine 0 N--CA 1.446 -0.655 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.583 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 24' ' ' PHE . . . . . 0.454 ' CZ ' ' HB ' ' B' ' 12' ' ' VAL . 2.3 p90 -160.68 171.14 19.42 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.014 0.435 . . . . 0.0 110.647 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -129.43 135.83 49.16 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 178.019 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.456 ' OH ' ' HA ' ' A' ' 3' ' ' VAL . 3.2 t80 -140.15 107.36 5.49 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.186 -0.606 . . . . 0.0 111.458 -178.078 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 27' ' ' THR . . . . . 0.617 ' HB ' ' HG2' ' B' ' 29' ' ' LYS . 15.5 p -127.53 101.42 24.31 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.307 179.406 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 28' ' ' PRO . . . . . 0.636 ' HA ' HG21 ' A' ' 3' ' ' VAL . 47.0 Cg_endo -70.46 -2.73 11.15 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.836 2.357 . . . . 0.0 112.529 -179.553 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.617 ' HG2' ' HB ' ' B' ' 27' ' ' THR . 0.0 OUTLIER -67.29 167.86 11.59 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 121.297 0.57 . . . . 0.0 111.078 179.535 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 14.4 m . . . . . 0 C--O 1.245 0.821 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 178.668 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.485 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 2' ' ' ILE . . . . . 0.739 HD11 HD11 ' D' ' 15' ' ' LEU . 7.4 tt -163.12 -46.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 117.024 0.412 . . . . 0.0 110.989 -179.722 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 3' ' ' VAL . . . . . 0.664 HG21 ' HA ' ' D' ' 28' ' ' PRO . 18.0 t -50.6 -49.43 25.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.777 -179.664 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 4' ' ' GLU . . . . . 0.45 ' O ' HG22 ' C' ' 8' ' ' THR . 33.7 tt0 -99.67 -45.05 5.9 Favored 'General case' 0 N--CA 1.443 -0.784 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.066 179.296 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -45.71 -50.58 13.54 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.098 0.777 . . . . 0.0 113.098 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 6' ' ' CYS . . . . . 0.558 ' O ' ' HA ' ' C' ' 10' ' ' ILE . 83.9 m -82.62 -15.22 52.95 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 -178.043 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 7' ' ' CYS . . . . . . . . . . . . . 46.6 t -97.21 -23.8 16.01 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.27 -0.572 . . . . 0.0 111.421 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 8' ' ' THR . . . . . 0.544 HG23 ' H ' ' C' ' 9' ' ' SER . 11.6 t -79.61 -66.78 0.83 Allowed 'General case' 0 CA--C 1.536 0.418 0 O-C-N 121.79 -0.569 . . . . 0.0 111.651 -179.032 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 9' ' ' SER . . . . . 0.546 ' O ' ' HB ' ' C' ' 10' ' ' ILE . 20.1 m -106.03 -3.42 21.63 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 117.817 0.28 . . . . 0.0 111.137 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 10' ' ' ILE . . . . . 0.71 HD13 ' HB3' ' L' ' 5' ' ' HIS . 35.2 mt 76.27 140.24 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 CA-C-N 115.691 -0.686 . . . . 0.0 112.179 179.018 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 84.2 m -102.96 141.86 35.05 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.594 179.281 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 17.2 m -71.69 167.3 20.15 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 178.7 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 7.6 tt -55.56 -47.43 76.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.615 0.245 . . . . 0.0 110.638 -179.522 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 13.8 m-30 -62.31 -31.88 72.54 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.432 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -70.85 -40.09 72.56 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.285 178.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 16' ' ' LEU . . . . . 0.529 ' HB3' HD23 ' D' ' 15' ' ' LEU . 95.4 mt -63.57 -32.49 73.97 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.301 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -61.94 -19.8 63.13 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.819 0.342 . . . . 0.0 111.577 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 31.9 m120 -75.18 -11.39 60.07 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.935 0.398 . . . . 0.0 110.938 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -121.21 29.25 7.39 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.594 0.711 . . . . 0.0 109.915 -179.254 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 47.7 t -102.13 177.69 4.82 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.305 -179.521 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 49.0 t30 . . . . . 0 C--O 1.25 1.129 0 CA-C-O 118.315 -0.85 . . . . 0.0 110.283 179.935 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' D' D ' 1' ' ' PHE . . . . . 0.45 ' N ' ' HA ' ' G' ' 8' ' ' THR . 18.4 p90 . . . . . 0 N--CA 1.48 1.049 0 N-CA-C 111.493 0.183 . . . . 0.0 111.493 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 2' ' ' VAL . . . . . . . . . . . . . 21.5 t -78.8 75.52 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.138 0 CA-C-O 121.485 0.659 . . . . 0.0 109.406 179.393 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 3' ' ' ASN . . . . . 0.774 ' HB3' ' HB3' ' D' ' 7' ' ' CYS . 79.1 m-20 -77.59 0.41 23.21 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.633 -178.521 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -66.62 -36.03 81.61 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.318 0.58 . . . . 0.0 110.536 179.401 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 5' ' ' HIS . . . . . 0.729 ' HB3' HD13 ' G' ' 10' ' ' ILE . 72.4 t60 -97.72 -7.5 30.67 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.847 179.727 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 6' ' ' LEU . . . . . 0.577 ' HB2' ' HA ' ' D' ' 3' ' ' ASN . 80.5 mt -101.64 -76.65 0.56 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.34 -0.846 . . . . 0.0 109.868 179.323 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 7' ' ' CYS . . . . . 0.774 ' HB3' ' HB3' ' D' ' 3' ' ' ASN . 0.0 OUTLIER -64.32 -33.34 75.6 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.226 178.729 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 8' ' ' GLY . . . . . 0.732 ' HA2' ' HG ' ' D' ' 11' ' ' LEU . . . -56.1 -30.76 58.14 Favored Glycine 0 C--N 1.335 0.492 0 C-N-CA 121.11 -0.566 . . . . 0.0 112.268 178.845 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 9' ' ' SER . . . . . 0.546 ' HB3' ' HG3' ' B' ' 13' ' ' GLU . 11.4 m -69.61 -7.36 38.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.949 0.404 . . . . 0.0 111.034 179.254 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 10' ' ' HIS . . . . . . . . . . . . . 85.9 m-70 -113.93 -8.17 13.12 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.717 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 11' ' ' LEU . . . . . 0.732 ' HG ' ' HA2' ' D' ' 8' ' ' GLY . 70.6 mt -66.17 -34.27 77.66 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 177.336 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 12' ' ' VAL . . . . . 0.548 ' O ' ' HB2' ' D' ' 16' ' ' TYR . 3.1 m -67.43 -31.84 54.6 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.423 0 CA-C-N 114.692 -1.14 . . . . 0.0 110.812 178.387 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 13' ' ' GLU . . . . . 0.534 ' HG3' ' HB3' ' B' ' 9' ' ' SER . 41.1 tt0 -62.42 -38.88 91.41 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.366 0.603 . . . . 0.0 109.387 179.642 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.03 -46.16 62.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.08 178.056 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 15' ' ' LEU . . . . . 0.739 HD11 HD11 ' C' ' 2' ' ' ILE . 66.0 mt -58.42 -41.93 86.1 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 121.497 0.665 . . . . 0.0 109.838 178.764 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 16' ' ' TYR . . . . . 0.548 ' HB2' ' O ' ' D' ' 12' ' ' VAL . 1.5 t80 -53.88 -45.44 71.06 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.538 -1.21 . . . . 0.0 110.896 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 17' ' ' LEU . . . . . 0.431 HD13 ' NE2' ' B' ' 5' ' ' HIS . 3.9 mm? -68.64 -45.29 72.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.926 179.614 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 71.6 t -63.96 -45.27 97.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.133 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 19' ' ' CYS . . . . . . . . . . . . . 85.0 m -73.44 -19.5 60.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.291 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.61 -110.04 3.24 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.998 -0.62 . . . . 0.0 112.549 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -108.93 10.9 26.27 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.816 0.341 . . . . 0.0 111.339 -179.409 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 22' ' ' ARG . . . . . . . . . . . . . 66.9 mtp180 -74.77 -73.11 0.25 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.233 0.539 . . . . 0.0 110.296 179.388 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 23' ' ' GLY . . . . . 0.508 ' CA ' ' HD2' ' B' ' 28' ' ' PRO . . . 138.23 -176.58 20.66 Favored Glycine 0 N--CA 1.446 -0.663 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.578 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 24' ' ' PHE . . . . . 0.46 ' CZ ' ' HB ' ' D' ' 12' ' ' VAL . 2.3 p90 -161.07 170.99 19.38 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.127 0.489 . . . . 0.0 110.817 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 25' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -129.15 136.73 50.57 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 177.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 26' ' ' TYR . . . . . 0.469 ' OH ' ' HA ' ' C' ' 3' ' ' VAL . 3.2 t80 -141.16 106.57 5.04 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.147 -0.621 . . . . 0.0 111.279 -178.132 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 27' ' ' THR . . . . . 0.624 ' HB ' ' HG2' ' D' ' 29' ' ' LYS . 12.1 p -127.34 101.56 24.75 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.024 179.324 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 28' ' ' PRO . . . . . 0.664 ' HA ' HG21 ' C' ' 3' ' ' VAL . 44.9 Cg_endo -70.22 -2.94 11.33 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 123.059 2.506 . . . . 0.0 112.596 -179.515 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 29' ' ' LYS . . . . . 0.624 ' HG2' ' HB ' ' D' ' 27' ' ' THR . 0.0 OUTLIER -67.03 168.44 10.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.093 179.73 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 15.1 m . . . . . 0 C--O 1.245 0.854 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 178.799 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.631 0 N-CA-C 111.871 -0.492 . . . . 0.0 111.871 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' E' E ' 2' ' ' ILE . . . . . 0.735 HD11 HD11 ' F' ' 15' ' ' LEU . 7.0 tt -160.8 -45.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.315 -0.919 0 O-C-N 122.431 -0.452 . . . . 0.0 110.945 179.723 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 3' ' ' VAL . . . . . 0.656 HG21 ' HA ' ' F' ' 28' ' ' PRO . 21.0 t -51.69 -48.82 36.88 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.684 -179.185 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 4' ' ' GLU . . . . . 0.498 ' O ' HG22 ' E' ' 8' ' ' THR . 34.0 tt0 -99.63 -45.1 5.89 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.339 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -45.85 -50.73 13.97 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 -179.499 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 6' ' ' CYS . . . . . 0.555 ' O ' ' HA ' ' E' ' 10' ' ' ILE . 84.6 m -82.92 -14.94 53.2 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 -177.862 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 7' ' ' CYS . . . . . . . . . . . . . 47.3 t -97.08 -23.6 16.17 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.262 -0.575 . . . . 0.0 111.332 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 8' ' ' THR . . . . . 0.574 HG23 ' H ' ' E' ' 9' ' ' SER . 9.3 t -79.56 -67.89 0.72 Allowed 'General case' 0 C--O 1.235 0.333 0 O-C-N 121.663 -0.648 . . . . 0.0 111.545 -179.356 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 9' ' ' SER . . . . . 0.574 ' H ' HG23 ' E' ' 8' ' ' THR . 23.9 m -104.38 -4.88 22.28 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 117.656 0.207 . . . . 0.0 111.186 -179.435 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 10' ' ' ILE . . . . . 0.727 HD13 ' HB3' ' J' ' 5' ' ' HIS . 35.8 mt 76.8 138.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.286 0 CA-C-O 121.555 0.693 . . . . 0.0 112.326 179.362 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 11' ' ' CYS . . . . . . . . . . . . . 79.8 m -101.53 141.58 34.19 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.976 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 12' ' ' SER . . . . . . . . . . . . . 12.2 m -71.06 167.37 19.39 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 178.767 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 7.7 tt -56.43 -46.36 80.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.577 0.227 . . . . 0.0 110.44 -179.549 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 13.4 m-30 -63.06 -32.12 73.41 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.88 0.371 . . . . 0.0 111.315 179.538 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -70.73 -40.41 72.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.96 0.409 . . . . 0.0 110.213 179.192 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 16' ' ' LEU . . . . . 0.535 ' HB3' HD23 ' F' ' 15' ' ' LEU . 95.7 mt -63.04 -33.01 74.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.362 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 17' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -61.29 -21.37 63.88 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.624 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 18' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -73.52 -12.91 60.93 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.738 0.304 . . . . 0.0 110.836 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 19' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -119.62 29.5 7.56 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.546 0.688 . . . . 0.0 110.069 -179.233 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 20' ' ' CYS . . . . . . . . . . . . . 43.7 t -102.5 175.55 5.47 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.068 -0.969 . . . . 0.0 110.489 -179.538 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 21' ' ' ASN . . . . . . . . . . . . . 49.2 t30 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.525 -0.75 . . . . 0.0 110.696 179.959 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' F' F ' 1' ' ' PHE . . . . . 0.453 ' N ' ' HA ' ' A' ' 8' ' ' THR . 17.5 p90 . . . . . 0 N--CA 1.483 1.195 0 N-CA-C 111.665 0.246 . . . . 0.0 111.665 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 2' ' ' VAL . . . . . . . . . . . . . 21.6 t -78.3 76.27 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.135 0 CA-C-O 121.545 0.688 . . . . 0.0 109.454 179.35 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 3' ' ' ASN . . . . . 0.771 ' HB3' ' HB3' ' F' ' 7' ' ' CYS . 77.5 m-20 -77.98 -0.65 28.57 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.503 -178.676 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 4' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -65.36 -36.08 82.91 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.334 0.588 . . . . 0.0 110.637 179.442 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 5' ' ' HIS . . . . . 0.713 ' HB3' HD13 ' A' ' 10' ' ' ILE . 74.6 t60 -97.68 -8.0 29.7 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.763 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 6' ' ' LEU . . . . . 0.564 ' HB2' ' HA ' ' F' ' 3' ' ' ASN . 77.3 mt -101.35 -76.95 0.55 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.735 179.359 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 7' ' ' CYS . . . . . 0.771 ' HB3' ' HB3' ' F' ' 3' ' ' ASN . 0.0 OUTLIER -63.92 -33.55 75.96 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.388 178.694 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' F' F ' 8' ' ' GLY . . . . . 0.719 ' HA2' ' HG ' ' F' ' 11' ' ' LEU . . . -55.86 -31.04 57.93 Favored Glycine 0 C--N 1.336 0.549 0 C-N-CA 121.175 -0.536 . . . . 0.0 112.216 178.779 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 9' ' ' SER . . . . . 0.524 ' HB3' ' HG3' ' H' ' 13' ' ' GLU . 14.0 m -69.21 -7.73 39.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.919 0.39 . . . . 0.0 111.095 179.341 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 10' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 -113.54 -8.05 13.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.777 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 11' ' ' LEU . . . . . 0.719 ' HG ' ' HA2' ' F' ' 8' ' ' GLY . 68.1 mt -66.28 -33.92 76.82 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 107.616 -1.253 . . . . 0.0 107.616 177.506 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 12' ' ' VAL . . . . . 0.541 ' O ' ' HB2' ' F' ' 16' ' ' TYR . 3.1 m -67.59 -32.13 55.6 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.38 0 CA-C-N 114.378 -1.283 . . . . 0.0 110.849 178.213 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 13' ' ' GLU . . . . . 0.547 ' HG3' ' HB3' ' H' ' 9' ' ' SER . 41.0 tt0 -62.16 -39.07 91.42 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 179.585 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.1 -45.59 63.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.258 178.242 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 15' ' ' LEU . . . . . 0.735 HD11 HD11 ' E' ' 2' ' ' ILE . 61.8 mt -58.89 -41.87 88.18 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.647 178.73 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 16' ' ' TYR . . . . . 0.541 ' HB2' ' O ' ' F' ' 12' ' ' VAL . 1.5 t80 -53.58 -46.28 70.25 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.551 -1.204 . . . . 0.0 110.787 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 17' ' ' LEU . . . . . 0.415 HD13 ' NE2' ' H' ' 5' ' ' HIS . 3.9 mm? -68.14 -44.84 75.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.154 179.607 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 66.3 t -64.41 -44.38 97.08 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 CA-C-O 121.007 0.432 . . . . 0.0 111.203 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 19' ' ' CYS . . . . . . . . . . . . . 83.3 m -74.46 -19.23 60.46 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.192 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.43 -108.35 2.4 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 121.162 -0.542 . . . . 0.0 112.841 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 21' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -110.55 11.72 22.92 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.903 0.382 . . . . 0.0 111.288 -179.397 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 22' ' ' ARG . . . . . . . . . . . . . 66.8 mtp180 -76.05 -74.05 0.24 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.216 0.532 . . . . 0.0 110.047 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 23' ' ' GLY . . . . . 0.483 ' CA ' ' HD2' ' H' ' 28' ' ' PRO . . . 139.44 -176.53 21.02 Favored Glycine 0 N--CA 1.446 -0.693 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.626 -179.773 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 24' ' ' PHE . . . . . 0.463 ' CZ ' ' HB ' ' F' ' 12' ' ' VAL . 2.2 p90 -160.86 170.97 19.59 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.131 0.491 . . . . 0.0 110.683 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 25' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -129.56 135.19 48.28 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 178.117 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 26' ' ' TYR . . . . . 0.451 ' OH ' ' HA ' ' E' ' 3' ' ' VAL . 3.3 t80 -139.59 106.94 5.52 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 120.106 -0.638 . . . . 0.0 111.537 -177.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 27' ' ' THR . . . . . 0.609 ' HB ' ' HG2' ' F' ' 29' ' ' LYS . 16.8 p -127.13 101.16 25.89 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.296 179.288 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 28' ' ' PRO . . . . . 0.656 ' HA ' HG21 ' E' ' 3' ' ' VAL . 50.2 Cg_endo -70.3 -3.97 13.45 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.771 2.314 . . . . 0.0 112.517 -179.508 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 29' ' ' LYS . . . . . 0.609 ' HG2' ' HB ' ' F' ' 27' ' ' THR . 0.0 OUTLIER -65.79 168.5 7.77 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.26 179.424 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' F' F ' 30' ' ' THR . . . . . . . . . . . . . 9.6 m . . . . . 0 C--O 1.247 0.922 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 178.519 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' G' G ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.894 0 N-CA-C 111.478 -0.649 . . . . 0.0 111.478 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' G' G ' 2' ' ' ILE . . . . . 0.728 HD11 HD11 ' H' ' 15' ' ' LEU . 7.0 tt -160.37 -45.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 O-C-N 122.757 -0.261 . . . . 0.0 111.032 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' G' G ' 3' ' ' VAL . . . . . 0.641 HG21 ' HA ' ' H' ' 28' ' ' PRO . 20.6 t -52.02 -47.85 41.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 121.083 0.468 . . . . 0.0 111.931 -179.119 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' G' G ' 4' ' ' GLU . . . . . 0.471 ' O ' HG22 ' G' ' 8' ' ' THR . 34.6 tt0 -99.85 -46.57 5.34 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 120.591 -0.443 . . . . 0.0 109.835 179.408 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' G' G ' 5' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -44.21 -53.15 6.83 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 6' ' ' CYS . . . . . 0.54 ' O ' ' HA ' ' G' ' 10' ' ' ILE . 81.1 m -80.31 -15.05 57.81 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 -178.045 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' G' G ' 7' ' ' CYS . . . . . . . . . . . . . 49.9 t -98.18 -21.84 16.5 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.357 -0.537 . . . . 0.0 111.56 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 8' ' ' THR . . . . . 0.564 HG23 ' H ' ' G' ' 9' ' ' SER . 8.9 t -81.07 -66.52 0.88 Allowed 'General case' 0 C--N 1.329 -0.322 0 O-C-N 121.897 -0.502 . . . . 0.0 111.498 -179.259 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' G' G ' 9' ' ' SER . . . . . 0.568 ' O ' ' HB ' ' G' ' 10' ' ' ILE . 22.6 m -105.41 -6.59 19.39 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 117.66 0.209 . . . . 0.0 111.372 -179.609 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' G' G ' 10' ' ' ILE . . . . . 0.729 HD13 ' HB3' ' D' ' 5' ' ' HIS . 34.2 mt 78.65 137.3 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 O-C-N 124.187 0.929 . . . . 0.0 112.202 179.292 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' G' G ' 11' ' ' CYS . . . . . . . . . . . . . 82.8 m -100.04 141.68 32.55 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.911 179.227 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 12' ' ' SER . . . . . . . . . . . . . 15.6 m -72.02 166.73 21.64 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 178.562 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 13' ' ' LEU . . . . . 0.403 HD11 HD11 ' A' ' 13' ' ' LEU . 7.5 tt -54.95 -46.73 75.03 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.678 0.275 . . . . 0.0 110.699 -179.34 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 13.8 m-30 -62.95 -32.0 73.22 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.413 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -70.99 -39.21 72.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.792 0.33 . . . . 0.0 110.215 179.115 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 16' ' ' LEU . . . . . 0.517 ' HB3' HD23 ' H' ' 15' ' ' LEU . 95.5 mt -64.06 -32.96 74.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.272 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' G' G ' 17' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -61.68 -20.18 63.15 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 111.738 0.273 . . . . 0.0 111.738 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 18' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -74.5 -12.1 60.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.785 0.326 . . . . 0.0 110.776 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 19' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -121.11 31.14 6.5 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.642 0.734 . . . . 0.0 109.8 -179.422 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 20' ' ' CYS . . . . . . . . . . . . . 46.6 t -104.55 174.6 5.8 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.441 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 21' ' ' ASN . . . . . . . . . . . . . 52.0 t30 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.399 -0.81 . . . . 0.0 110.583 179.668 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' H' H ' 1' ' ' PHE . . . . . 0.427 ' N ' ' HA ' ' K' ' 8' ' ' THR . 17.7 p90 . . . . . 0 N--CA 1.48 1.057 0 N-CA-C 111.608 0.225 . . . . 0.0 111.608 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 2' ' ' VAL . . . . . . . . . . . . . 21.6 t -78.75 74.36 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.149 0 CA-C-O 121.57 0.7 . . . . 0.0 109.516 179.611 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 3' ' ' ASN . . . . . 0.788 ' HB3' ' HB3' ' H' ' 7' ' ' CYS . 79.8 m-20 -77.18 2.18 16.17 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.654 -178.333 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' H' H ' 4' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -68.27 -35.76 78.36 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.14 0.495 . . . . 0.0 110.264 179.458 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 5' ' ' HIS . . . . . 0.733 ' HB3' HD13 ' K' ' 10' ' ' ILE . 73.2 t60 -97.27 -9.09 28.3 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.647 179.736 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' H' H ' 6' ' ' LEU . . . . . 0.561 ' HB2' ' HA ' ' H' ' 3' ' ' ASN . 73.9 mt -100.24 -76.69 0.55 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.146 179.438 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' H' H ' 7' ' ' CYS . . . . . 0.788 ' HB3' ' HB3' ' H' ' 3' ' ' ASN . 0.0 OUTLIER -64.47 -32.77 74.54 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.261 178.884 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' H' H ' 8' ' ' GLY . . . . . 0.702 ' HA2' ' HG ' ' H' ' 11' ' ' LEU . . . -56.38 -31.11 59.42 Favored Glycine 0 C--N 1.334 0.441 0 C-N-CA 121.115 -0.564 . . . . 0.0 112.11 178.842 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' H' H ' 9' ' ' SER . . . . . 0.547 ' HB3' ' HG3' ' F' ' 13' ' ' GLU . 14.2 m -69.3 -7.27 35.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.857 0.36 . . . . 0.0 111.155 179.441 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' H' H ' 10' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 -114.24 -7.67 12.96 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.663 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 11' ' ' LEU . . . . . 0.702 ' HG ' ' HA2' ' H' ' 8' ' ' GLY . 69.4 mt -66.79 -33.78 76.38 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 177.333 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' H' H ' 12' ' ' VAL . . . . . 0.534 ' O ' ' HB2' ' H' ' 16' ' ' TYR . 2.9 m -67.75 -31.67 53.31 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.288 0 CA-C-N 114.513 -1.221 . . . . 0.0 110.71 178.241 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' H' H ' 13' ' ' GLU . . . . . 0.524 ' HG3' ' HB3' ' F' ' 9' ' ' SER . 40.9 tt0 -62.59 -38.75 91.34 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 179.634 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' H' H ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.28 -46.42 60.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.934 178.218 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 15' ' ' LEU . . . . . 0.728 HD11 HD11 ' G' ' 2' ' ' ILE . 62.4 mt -58.28 -41.7 84.93 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.592 0.71 . . . . 0.0 109.823 178.812 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' H' H ' 16' ' ' TYR . . . . . 0.534 ' HB2' ' O ' ' H' ' 12' ' ' VAL . 1.5 t80 -53.74 -46.13 70.78 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 114.476 -1.238 . . . . 0.0 110.752 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' H' H ' 17' ' ' LEU . . . . . 0.44 HD13 ' NE2' ' F' ' 5' ' ' HIS . 3.9 mm? -67.81 -45.19 75.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.163 179.535 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 61.4 t -63.74 -46.55 94.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.144 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 19' ' ' CYS . . . . . . . . . . . . . 82.2 m -72.4 -19.13 61.66 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.388 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.18 -108.97 2.65 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.885 179.571 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 21' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -110.44 12.64 22.94 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.796 0.332 . . . . 0.0 111.43 -179.403 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 22' ' ' ARG . . . . . . . . . . . . . 67.0 mtp180 -77.24 -73.77 0.28 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.944 179.233 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 23' ' ' GLY . . . . . 0.499 ' CA ' ' HD2' ' F' ' 28' ' ' PRO . . . 139.24 -176.45 21.0 Favored Glycine 0 N--CA 1.445 -0.729 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.546 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' H' H ' 24' ' ' PHE . . . . . 0.451 ' CZ ' ' HB ' ' H' ' 12' ' ' VAL . 2.3 p90 -161.29 170.36 20.35 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.25 0.547 . . . . 0.0 110.601 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' H' H ' 25' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -128.78 136.98 51.27 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 177.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 26' ' ' TYR . . . . . 0.446 ' OH ' ' HA ' ' G' ' 3' ' ' VAL . 3.2 t80 -141.45 106.61 4.98 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.212 -0.595 . . . . 0.0 111.385 -177.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' H' H ' 27' ' ' THR . . . . . 0.629 ' HB ' ' HG2' ' H' ' 29' ' ' LYS . 10.1 p -127.04 100.75 26.77 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.264 179.595 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' H' H ' 28' ' ' PRO . . . . . 0.641 ' HA ' HG21 ' G' ' 3' ' ' VAL . 52.8 Cg_endo -70.09 -1.22 8.38 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.688 2.259 . . . . 0.0 112.645 -179.602 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' H' H ' 29' ' ' LYS . . . . . 0.629 ' HG2' ' HB ' ' H' ' 27' ' ' THR . 0.0 OUTLIER -69.28 164.85 21.87 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.316 179.831 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' H' H ' 30' ' ' THR . . . . . . . . . . . . . 9.0 m . . . . . 0 C--O 1.245 0.861 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 178.535 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' I' I ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.688 0 N-CA-C 111.294 -0.722 . . . . 0.0 111.294 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' I' I ' 2' ' ' ILE . . . . . 0.746 HD11 HD11 ' J' ' 15' ' ' LEU . 6.6 tt -160.05 -45.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.315 -0.916 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.051 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' I' I ' 3' ' ' VAL . . . . . 0.635 HG21 ' HA ' ' J' ' 28' ' ' PRO . 20.0 t -51.78 -50.32 32.66 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.099 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.463 -179.434 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' I' I ' 4' ' ' GLU . . . . . 0.426 ' O ' HG22 ' I' ' 8' ' ' THR . 32.7 tt0 -97.84 -45.93 6.13 Favored 'General case' 0 N--CA 1.443 -0.819 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.03 179.274 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' I' I ' 5' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -44.46 -52.77 7.56 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -179.507 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 6' ' ' CYS . . . . . 0.549 ' O ' ' HA ' ' I' ' 10' ' ' ILE . 81.5 m -80.75 -15.12 57.29 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 113.191 0.811 . . . . 0.0 113.191 -177.843 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' I' I ' 7' ' ' CYS . . . . . . . . . . . . . 45.8 t -97.58 -22.47 16.49 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.452 -0.499 . . . . 0.0 111.327 -179.632 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 8' ' ' THR . . . . . 0.536 HG23 ' H ' ' I' ' 9' ' ' SER . 10.6 t -80.48 -66.96 0.82 Allowed 'General case' 0 CA--C 1.534 0.349 0 O-C-N 121.789 -0.569 . . . . 0.0 111.472 -179.138 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' I' I ' 9' ' ' SER . . . . . 0.558 ' O ' ' HB ' ' I' ' 10' ' ' ILE . 19.9 m -105.34 -6.01 19.98 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.566 0.222 . . . . 0.0 111.242 -179.446 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' I' I ' 10' ' ' ILE . . . . . 0.745 HD13 ' HB3' ' B' ' 5' ' ' HIS . 35.0 mt 77.81 136.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-N 115.626 -0.716 . . . . 0.0 112.22 179.322 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' I' I ' 11' ' ' CYS . . . . . . . . . . . . . 80.3 m -99.53 142.34 31.13 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.432 -0.803 . . . . 0.0 109.842 179.193 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 12' ' ' SER . . . . . . . . . . . . . 19.9 m -72.4 167.39 20.63 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 178.503 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 13' ' ' LEU . . . . . . . . . . . . . 7.7 tt -56.14 -46.47 79.21 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.599 0.238 . . . . 0.0 110.563 -179.294 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 13.8 m-30 -63.11 -32.2 73.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.764 0.316 . . . . 0.0 111.261 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 15' ' ' GLN . . . . . 0.427 ' HA ' ' OE1' ' I' ' 15' ' ' GLN . 12.1 mm100 -70.62 -39.82 73.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.89 0.376 . . . . 0.0 110.326 179.136 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' I' I ' 16' ' ' LEU . . . . . 0.546 ' HB3' HD23 ' J' ' 15' ' ' LEU . 95.8 mt -63.59 -32.53 74.03 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.19 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' I' I ' 17' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -62.19 -18.89 62.32 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.703 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 18' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -76.18 -10.73 59.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.076 0.465 . . . . 0.0 110.774 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 19' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -122.35 31.64 6.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.5 0.666 . . . . 0.0 109.716 -179.492 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 20' ' ' CYS . . . . . . . . . . . . . 49.6 t -105.21 175.26 5.55 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.447 -179.532 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 21' ' ' ASN . . . . . . . . . . . . . 48.7 t30 . . . . . 0 C--O 1.251 1.153 0 CA-C-O 118.591 -0.718 . . . . 0.0 110.676 179.881 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' J' J ' 1' ' ' PHE . . . . . 0.45 ' N ' ' HA ' ' E' ' 8' ' ' THR . 17.2 p90 . . . . . 0 N--CA 1.479 0.988 0 N-CA-C 111.61 0.226 . . . . 0.0 111.61 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' J' J ' 2' ' ' VAL . . . . . . . . . . . . . 21.5 t -77.74 74.22 0.57 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.128 0 CA-C-O 121.558 0.694 . . . . 0.0 109.982 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' J' J ' 3' ' ' ASN . . . . . 0.77 ' HB3' ' HB3' ' J' ' 7' ' ' CYS . 78.4 m-20 -76.12 0.35 19.18 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.761 -178.75 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' J' J ' 4' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -66.98 -35.46 80.01 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.224 0.535 . . . . 0.0 110.442 179.319 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' J' J ' 5' ' ' HIS . . . . . 0.727 ' HB3' HD13 ' E' ' 10' ' ' ILE . 73.6 t60 -98.01 -8.34 28.11 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.802 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' J' J ' 6' ' ' LEU . . . . . 0.586 ' HB2' ' HA ' ' J' ' 3' ' ' ASN . 74.8 mt -101.02 -76.76 0.55 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.916 179.608 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' J' J ' 7' ' ' CYS . . . . . 0.77 ' HB3' ' HB3' ' J' ' 3' ' ' ASN . 0.0 OUTLIER -64.29 -33.17 75.22 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.329 -0.851 . . . . 0.0 110.336 178.718 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' J' J ' 8' ' ' GLY . . . . . 0.718 ' HA2' ' HG ' ' J' ' 11' ' ' LEU . . . -56.13 -31.01 58.63 Favored Glycine 0 C--N 1.335 0.523 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.255 178.857 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' J' J ' 9' ' ' SER . . . . . 0.562 ' HB3' ' HG3' ' L' ' 13' ' ' GLU . 14.1 m -69.21 -7.54 37.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.005 0.431 . . . . 0.0 111.043 179.385 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' J' J ' 10' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -113.85 -7.95 13.18 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.762 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' J' J ' 11' ' ' LEU . . . . . 0.718 ' HG ' ' HA2' ' J' ' 8' ' ' GLY . 69.9 mt -66.42 -33.86 76.64 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 177.521 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' J' J ' 12' ' ' VAL . . . . . 0.536 ' O ' ' HB2' ' J' ' 16' ' ' TYR . 3.1 m -67.65 -31.85 54.25 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.433 0 CA-C-N 114.465 -1.243 . . . . 0.0 110.755 178.391 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' J' J ' 13' ' ' GLU . . . . . 0.528 ' HG3' ' HB3' ' L' ' 9' ' ' SER . 43.2 tt0 -62.56 -38.5 90.32 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 179.67 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' J' J ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.26 -46.11 61.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.034 178.134 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' J' J ' 15' ' ' LEU . . . . . 0.746 HD11 HD11 ' I' ' 2' ' ' ILE . 59.6 mt -58.87 -41.65 87.55 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 121.563 0.697 . . . . 0.0 109.706 178.819 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' J' J ' 16' ' ' TYR . . . . . 0.536 ' HB2' ' O ' ' J' ' 12' ' ' VAL . 1.6 t80 -54.04 -45.17 71.55 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 114.565 -1.198 . . . . 0.0 110.715 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' J' J ' 17' ' ' LEU . . . . . 0.439 HD13 ' NE2' ' L' ' 5' ' ' HIS . 3.9 mm? -68.75 -44.73 73.13 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.113 179.594 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 66.6 t -64.43 -44.34 97.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.333 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' J' J ' 19' ' ' CYS . . . . . . . . . . . . . 79.5 m -74.91 -19.27 60.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.188 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' J' J ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.9 -106.74 1.8 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 121.057 -0.592 . . . . 0.0 113.143 179.407 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' J' J ' 21' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -113.34 13.23 19.01 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.952 0.406 . . . . 0.0 111.102 -179.186 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' J' J ' 22' ' ' ARG . . . . . . . . . . . . . 67.0 mtp180 -76.98 -74.5 0.24 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.627 178.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' J' J ' 23' ' ' GLY . . . . . 0.496 ' CA ' ' HD2' ' L' ' 28' ' ' PRO . . . 139.86 -175.99 21.49 Favored Glycine 0 N--CA 1.444 -0.784 0 N-CA-C 111.39 -0.684 . . . . 0.0 111.39 179.732 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' J' J ' 24' ' ' PHE . . . . . 0.459 ' CZ ' ' HB ' ' J' ' 12' ' ' VAL . 2.3 p90 -161.16 170.72 19.8 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.153 0.501 . . . . 0.0 110.67 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' J' J ' 25' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -129.15 136.39 50.12 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 178.045 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' J' J ' 26' ' ' TYR . . . . . 0.462 ' OH ' ' HA ' ' I' ' 3' ' ' VAL . 3.2 t80 -140.77 106.41 5.11 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.095 -0.642 . . . . 0.0 111.277 -178.054 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' J' J ' 27' ' ' THR . . . . . 0.616 ' HB ' ' HG2' ' J' ' 29' ' ' LYS . 15.8 p -126.75 101.48 26.7 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.306 179.112 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' J' J ' 28' ' ' PRO . . . . . 0.635 ' HA ' HG21 ' I' ' 3' ' ' VAL . 45.5 Cg_endo -70.06 -3.63 12.6 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.809 2.339 . . . . 0.0 112.771 -179.386 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' J' J ' 29' ' ' LYS . . . . . 0.616 ' HG2' ' HB ' ' J' ' 27' ' ' THR . 0.0 OUTLIER -66.05 169.57 6.73 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.941 179.391 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' J' J ' 30' ' ' THR . . . . . . . . . . . . . 13.9 m . . . . . 0 C--O 1.248 0.985 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 178.488 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.275 0 N-CA-C 110.769 -0.932 . . . . 0.0 110.769 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' K' K ' 2' ' ' ILE . . . . . 0.75 HD11 HD11 ' L' ' 15' ' ' LEU . 7.4 tt -160.81 -45.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-N 116.613 0.207 . . . . 0.0 111.212 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' K' K ' 3' ' ' VAL . . . . . 0.657 HG21 ' HA ' ' L' ' 28' ' ' PRO . 19.6 t -51.31 -49.11 31.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.08 -0.509 . . . . 0.0 112.062 -179.118 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' K' K ' 4' ' ' GLU . . . . . 0.452 ' O ' HG22 ' K' ' 8' ' ' THR . 33.7 tt0 -99.56 -45.42 5.81 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 179.304 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' K' K ' 5' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -44.92 -52.47 8.66 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' K' K ' 6' ' ' CYS . . . . . 0.549 ' O ' ' HA ' ' K' ' 10' ' ' ILE . 85.1 m -81.22 -15.18 56.41 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -177.839 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' K' K ' 7' ' ' CYS . . . . . . . . . . . . . 46.2 t -97.05 -22.9 16.53 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.508 -0.477 . . . . 0.0 111.428 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' K' K ' 8' ' ' THR . . . . . 0.544 HG23 ' H ' ' K' ' 9' ' ' SER . 9.8 t -80.08 -67.22 0.79 Allowed 'General case' 0 C--O 1.235 0.298 0 O-C-N 121.568 -0.708 . . . . 0.0 111.621 -179.345 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' K' K ' 9' ' ' SER . . . . . 0.545 ' O ' ' HB ' ' K' ' 10' ' ' ILE . 16.9 m -105.5 -4.55 21.15 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.687 0.28 . . . . 0.0 111.295 -179.192 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' K' K ' 10' ' ' ILE . . . . . 0.733 HD13 ' HB3' ' H' ' 5' ' ' HIS . 33.4 mt 76.53 137.37 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 CA-C-N 115.416 -0.811 . . . . 0.0 112.487 179.045 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' K' K ' 11' ' ' CYS . . . . . . . . . . . . . 80.3 m -100.11 140.89 33.69 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.107 179.242 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' K' K ' 12' ' ' SER . . . . . . . . . . . . . 22.4 m -71.0 166.74 20.67 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 178.335 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' K' K ' 13' ' ' LEU . . . . . . . . . . . . . 7.6 tt -55.13 -46.74 75.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.633 0.254 . . . . 0.0 110.624 -179.595 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 13.7 m-30 -63.25 -30.56 71.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.864 0.364 . . . . 0.0 111.48 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -72.7 -39.34 67.09 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.1 179.122 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' K' K ' 16' ' ' LEU . . . . . 0.534 ' HB3' HD23 ' L' ' 15' ' ' LEU . 96.0 mt -63.84 -32.35 73.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.258 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' K' K ' 17' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -62.27 -18.59 61.68 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.63 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' K' K ' 18' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -76.92 -9.88 58.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.916 0.389 . . . . 0.0 110.721 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' K' K ' 19' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -122.54 30.01 6.68 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.47 0.653 . . . . 0.0 109.768 -179.407 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' K' K ' 20' ' ' CYS . . . . . . . . . . . . . 46.0 t -103.63 176.22 5.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.398 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' K' K ' 21' ' ' ASN . . . . . . . . . . . . . 49.8 t30 . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.463 -0.78 . . . . 0.0 110.189 179.764 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' L' L ' 1' ' ' PHE . . . . . 0.435 ' N ' ' HA ' ' C' ' 8' ' ' THR . 18.7 p90 . . . . . 0 N--CA 1.48 1.066 0 N-CA-C 111.32 0.119 . . . . 0.0 111.32 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' L' L ' 2' ' ' VAL . . . . . . . . . . . . . 21.5 t -79.48 75.31 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.103 0 CA-C-O 121.683 0.754 . . . . 0.0 109.393 179.317 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' L' L ' 3' ' ' ASN . . . . . 0.788 ' HB3' ' HB3' ' L' ' 7' ' ' CYS . 78.8 m-20 -77.25 -0.5 25.56 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.629 -178.742 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' L' L ' 4' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -66.23 -35.5 80.6 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.264 0.554 . . . . 0.0 110.466 179.402 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' L' L ' 5' ' ' HIS . . . . . 0.71 ' HB3' HD13 ' C' ' 10' ' ' ILE . 73.1 t60 -98.5 -7.59 28.15 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.729 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' L' L ' 6' ' ' LEU . . . . . 0.576 ' HB2' ' HA ' ' L' ' 3' ' ' ASN . 75.3 mt -101.81 -76.3 0.57 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.828 179.325 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' L' L ' 7' ' ' CYS . . . . . 0.788 ' HB3' ' HB3' ' L' ' 3' ' ' ASN . 0.0 OUTLIER -64.26 -33.37 75.67 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.388 178.717 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' L' L ' 8' ' ' GLY . . . . . 0.737 ' HA2' ' HG ' ' L' ' 11' ' ' LEU . . . -56.48 -30.47 58.82 Favored Glycine 0 C--N 1.336 0.539 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.213 178.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' L' L ' 9' ' ' SER . . . . . 0.528 ' HB3' ' HG3' ' J' ' 13' ' ' GLU . 13.3 m -69.56 -7.27 37.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.055 0.455 . . . . 0.0 111.087 179.36 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' L' L ' 10' ' ' HIS . . . . . . . . . . . . . 86.5 m-70 -114.11 -7.88 13.03 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 120.942 0.401 . . . . 0.0 110.775 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' L' L ' 11' ' ' LEU . . . . . 0.737 ' HG ' ' HA2' ' L' ' 8' ' ' GLY . 71.4 mt -66.41 -34.09 77.18 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 107.479 -1.304 . . . . 0.0 107.479 177.433 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' L' L ' 12' ' ' VAL . . . . . 0.548 ' O ' ' HB2' ' L' ' 16' ' ' TYR . 3.0 m -67.37 -31.86 54.76 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.327 0 CA-C-N 114.528 -1.214 . . . . 0.0 110.86 178.255 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' L' L ' 13' ' ' GLU . . . . . 0.562 ' HG3' ' HB3' ' J' ' 9' ' ' SER . 41.9 tt0 -62.75 -38.73 91.72 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 179.655 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' L' L ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.98 -46.19 62.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.05 178.012 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' L' L ' 15' ' ' LEU . . . . . 0.75 HD11 HD11 ' K' ' 2' ' ' ILE . 59.6 mt -58.55 -41.95 86.77 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.626 0.727 . . . . 0.0 109.854 178.79 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' L' L ' 16' ' ' TYR . . . . . 0.548 ' HB2' ' O ' ' L' ' 12' ' ' VAL . 1.5 t80 -53.64 -45.08 70.07 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.496 -1.229 . . . . 0.0 111.113 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' L' L ' 17' ' ' LEU . . . . . 0.424 HD13 ' NE2' ' J' ' 5' ' ' HIS . 3.9 mm? -69.44 -43.98 72.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.012 179.676 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 64.8 t -65.29 -44.42 94.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.113 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' L' L ' 19' ' ' CYS . . . . . . . . . . . . . 84.4 m -73.99 -19.59 60.61 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.252 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' L' L ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.9 -108.13 2.33 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.917 179.437 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' L' L ' 21' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -111.71 11.96 21.05 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.767 0.318 . . . . 0.0 111.283 -179.411 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' L' L ' 22' ' ' ARG . . . . . . . . . . . . . 66.9 mtp180 -76.09 -73.55 0.27 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.985 179.272 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' L' L ' 23' ' ' GLY . . . . . 0.498 ' CA ' ' HD2' ' J' ' 28' ' ' PRO . . . 138.92 -176.57 20.83 Favored Glycine 0 N--CA 1.444 -0.809 0 N-CA-C 111.552 -0.619 . . . . 0.0 111.552 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' L' L ' 24' ' ' PHE . . . . . 0.453 ' CZ ' ' HB ' ' L' ' 12' ' ' VAL . 2.4 p90 -160.76 170.92 19.78 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.901 0.381 . . . . 0.0 110.787 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' L' L ' 25' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -129.28 135.77 49.2 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 178.038 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' L' L ' 26' ' ' TYR . . . . . 0.456 ' OH ' ' HA ' ' K' ' 3' ' ' VAL . 3.2 t80 -140.33 106.6 5.25 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.207 -0.597 . . . . 0.0 111.48 -178.006 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' L' L ' 27' ' ' THR . . . . . 0.621 ' HB ' ' HG2' ' L' ' 29' ' ' LYS . 14.8 p -127.03 101.38 25.94 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.317 179.18 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' L' L ' 28' ' ' PRO . . . . . 0.657 ' HA ' HG21 ' K' ' 3' ' ' VAL . 49.1 Cg_endo -70.29 -2.74 11.05 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 122.828 2.352 . . . . 0.0 112.618 -179.507 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' L' L ' 29' ' ' LYS . . . . . 0.621 ' HG2' ' HB ' ' L' ' 27' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.066 179.496 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.387 0 N-CA-C 111.66 -0.576 . . . . 0.0 111.66 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.8 tt -142.18 -35.85 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.76 0.314 . . . . 0.0 111.111 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 29.5 m -63.0 -36.45 75.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 -179.23 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -83.4 -2.51 55.97 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.251 0.548 . . . . 0.0 111.516 -179.212 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.43 ' HG2' ' SG ' ' A' ' 11' ' ' CYS . 36.9 tt0 -108.28 -39.89 5.33 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.176 0.512 . . . . 0.0 110.695 179.665 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 72.9 m -90.08 -34.46 15.91 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -178.576 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.641 ' HB2' HD11 ' B' ' 11' ' ' LEU . 15.0 t -91.43 26.97 2.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.059 0.457 . . . . 0.0 111.34 -179.282 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.1 p -126.97 -64.2 1.02 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.0 0.428 . . . . 0.0 110.667 179.1 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.401 ' O ' ' HB ' ' A' ' 10' ' ' ILE . 45.6 m -124.93 12.19 8.39 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.291 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.401 ' HB ' ' O ' ' A' ' 9' ' ' SER . 2.3 mp 70.35 140.28 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-O 121.644 0.735 . . . . 0.0 110.908 -179.533 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.43 ' SG ' ' HG2' ' A' ' 5' ' ' GLN . 92.6 m -93.86 147.91 22.63 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.779 -178.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.4 t -76.4 162.58 27.75 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.278 178.635 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.8 tt -56.32 -44.04 79.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.931 0.396 . . . . 0.0 110.582 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 -67.2 -32.87 74.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.052 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -70.41 -39.79 74.27 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 178.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 94.0 mt -63.83 -38.56 91.55 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.71 179.598 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -65.39 -21.48 66.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.433 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -66.23 -31.5 72.35 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.168 0.509 . . . . 0.0 109.761 178.726 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -93.48 -10.93 33.3 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.508 179.334 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.615 ' HA ' ' HB3' ' B' ' 24' ' ' PHE . 23.1 t -77.14 161.17 28.44 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.634 -179.686 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 34.5 t30 . . . . . 0 C--O 1.243 0.749 0 CA-C-O 118.498 -0.763 . . . . 0.0 110.16 -179.829 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 35.5 t80 . . . . . 0 N--CA 1.478 0.94 0 CA-C-O 120.745 0.307 . . . . 0.0 110.329 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 2' ' ' VAL . . . . . 0.771 HG22 ' H ' ' B' ' 3' ' ' ASN . 4.4 p -73.1 -175.97 0.19 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 109.849 179.674 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 3' ' ' ASN . . . . . 0.771 ' H ' HG22 ' B' ' 2' ' ' VAL . 25.6 t-20 73.67 -73.7 0.09 Allowed 'General case' 0 C--O 1.212 -0.904 0 C-N-CA 123.055 0.542 . . . . 0.0 109.792 -179.592 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -57.75 -44.5 86.13 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.729 0.3 . . . . 0.0 111.429 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -70.15 -9.32 55.26 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.858 -179.266 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 30.2 mt -112.77 -31.11 6.84 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.725 0.774 . . . . 0.0 110.025 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 7' ' ' CYS . . . . . 0.472 ' HB3' ' O ' ' B' ' 3' ' ' ASN . 0.0 OUTLIER -74.88 -41.68 59.33 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.631 -1.168 . . . . 0.0 110.616 -179.476 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 8' ' ' GLY . . . . . 0.555 ' HA2' ' HG ' ' B' ' 11' ' ' LEU . . . -60.55 -26.84 65.12 Favored Glycine 0 C--N 1.332 0.346 0 C-N-CA 121.007 -0.616 . . . . 0.0 111.773 179.284 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 9' ' ' SER . . . . . 0.507 ' O ' ' HG2' ' D' ' 13' ' ' GLU . 8.6 m -64.33 -19.12 65.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.973 0.416 . . . . 0.0 111.032 179.589 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 10' ' ' HIS . . . . . 0.487 ' HA ' ' HG3' ' B' ' 13' ' ' GLU . 98.8 m-70 -108.38 -15.32 14.49 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.737 0.303 . . . . 0.0 111.378 -179.094 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.641 HD11 ' HB2' ' A' ' 7' ' ' CYS . 36.1 mt -68.18 -34.27 75.98 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 177.803 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.669 ' HA ' ' HB2' ' B' ' 15' ' ' LEU . 2.1 m -68.02 -28.62 41.84 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 CA-C-N 114.924 -1.034 . . . . 0.0 112.133 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.504 ' HG2' ' O ' ' D' ' 9' ' ' SER . 27.0 mt-10 -61.09 -53.52 56.03 Favored 'General case' 0 CA--C 1.519 -0.232 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 179.444 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.05 -27.61 64.79 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.21 -0.904 . . . . 0.0 110.668 179.455 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.669 ' HB2' ' HA ' ' B' ' 12' ' ' VAL . 1.7 mt -56.34 -60.33 3.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.63 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 16' ' ' TYR . . . . . 0.804 ' HB3' ' HE2' ' B' ' 24' ' ' PHE . 0.9 OUTLIER -76.34 -15.62 59.93 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 119.908 -0.717 . . . . 0.0 110.613 -179.324 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 9.0 tt -67.19 -42.08 84.77 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 178.073 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 53.9 t -68.55 -35.97 72.63 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.446 178.422 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 19' ' ' CYS . . . . . 1.068 ' HB3' ' HB2' ' B' ' 22' ' ' ARG . 74.4 m -73.81 -16.59 61.14 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.236 -0.893 . . . . 0.0 111.683 179.724 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.95 -96.1 0.85 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.994 -0.622 . . . . 0.0 111.72 -179.354 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -108.78 2.9 22.02 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.89 0.376 . . . . 0.0 110.231 178.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 22' ' ' ARG . . . . . 1.068 ' HB2' ' HB3' ' B' ' 19' ' ' CYS . 76.2 mtt180 -79.39 163.72 24.59 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.277 178.861 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 23' ' ' GLY . . . . . 0.46 ' HA3' HG22 ' D' ' 27' ' ' THR . . . -108.78 -162.19 20.28 Favored Glycine 0 N--CA 1.442 -0.923 0 N-CA-C 110.423 -1.071 . . . . 0.0 110.423 177.65 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 24' ' ' PHE . . . . . 0.804 ' HE2' ' HB3' ' B' ' 16' ' ' TYR . 5.1 p90 -172.48 170.51 4.9 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 117.427 0.613 . . . . 0.0 111.557 179.372 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -115.04 111.14 20.64 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 177.788 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 81.9 t80 -110.68 118.69 36.87 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.059 -177.807 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 27' ' ' THR . . . . . 0.499 HG22 ' HA3' ' D' ' 23' ' ' GLY . 3.1 p -123.47 96.63 43.49 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-O 121.241 0.543 . . . . 0.0 110.584 179.654 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -84.56 45.58 1.73 Allowed 'Trans proline' 0 C--O 1.238 0.522 0 C-N-CA 123.18 2.586 . . . . 0.0 113.311 -179.151 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -91.65 135.3 33.98 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.055 0.455 . . . . 0.0 110.475 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 19.6 m . . . . . 0 C--O 1.251 1.181 0 CA-C-O 118.143 -0.932 . . . . 0.0 109.024 179.824 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.525 0 N-CA-C 111.722 -0.551 . . . . 0.0 111.722 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 7.2 tt -140.7 -36.89 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.741 0.305 . . . . 0.0 111.078 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 23.4 m -60.68 -38.98 80.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -179.348 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -81.48 -2.93 51.54 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.116 0.484 . . . . 0.0 111.626 -179.302 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 5' ' ' GLN . . . . . 0.411 ' HG2' ' SG ' ' C' ' 11' ' ' CYS . 36.9 tt0 -107.91 -39.67 5.48 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.127 0.489 . . . . 0.0 110.666 179.727 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 72.7 m -90.57 -34.22 15.59 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -178.57 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 7' ' ' CYS . . . . . 0.623 ' HB2' HD11 ' D' ' 11' ' ' LEU . 13.4 t -91.3 27.18 1.99 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.054 0.454 . . . . 0.0 111.257 -179.416 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 11.0 p -127.48 -64.33 0.99 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.999 0.428 . . . . 0.0 110.862 178.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 9' ' ' SER . . . . . 0.444 ' O ' ' HB ' ' C' ' 10' ' ' ILE . 45.5 m -124.23 10.23 8.66 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.213 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 10' ' ' ILE . . . . . 0.444 ' HB ' ' O ' ' C' ' 9' ' ' SER . 2.3 mp 72.66 140.97 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-O 121.352 0.596 . . . . 0.0 110.556 -179.68 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 11' ' ' CYS . . . . . 0.411 ' SG ' ' HG2' ' C' ' 5' ' ' GLN . 86.4 m -94.84 148.09 22.67 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.794 -0.639 . . . . 0.0 112.06 -178.796 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 29.1 t -76.34 161.48 28.68 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.566 178.766 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 9.6 tt -55.22 -44.68 75.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.888 0.375 . . . . 0.0 110.74 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -66.92 -32.75 74.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.23 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -70.55 -39.94 73.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.11 0.481 . . . . 0.0 109.778 178.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 94.0 mt -63.83 -37.75 88.54 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.873 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -66.77 -19.93 65.85 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.694 -0.23 . . . . 0.0 111.316 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 25.1 m120 -66.92 -31.75 72.54 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 121.243 0.544 . . . . 0.0 109.719 178.552 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -93.28 -10.77 34.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.641 179.276 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 20' ' ' CYS . . . . . 0.607 ' HA ' ' HB3' ' D' ' 24' ' ' PHE . 24.6 t -77.52 160.6 28.52 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.115 -0.948 . . . . 0.0 110.717 -179.753 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 40.0 t30 . . . . . 0 C--O 1.243 0.72 0 CA-C-O 118.372 -0.823 . . . . 0.0 110.588 -179.573 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 39.6 t80 . . . . . 0 N--CA 1.48 1.033 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' D' D ' 2' ' ' VAL . . . . . 0.756 HG22 ' H ' ' D' ' 3' ' ' ASN . 4.9 p -73.19 -176.36 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 179.593 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 3' ' ' ASN . . . . . 0.756 ' H ' HG22 ' D' ' 2' ' ' VAL . 23.8 t-20 73.98 -73.59 0.1 Allowed 'General case' 0 C--O 1.211 -0.969 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 -179.695 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -57.67 -45.08 86.05 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.743 0.306 . . . . 0.0 111.576 179.541 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 5' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -69.86 -8.94 52.7 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 116.314 -0.403 . . . . 0.0 112.044 -179.184 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 29.6 mt -112.98 -31.79 6.58 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.723 0.773 . . . . 0.0 109.903 179.555 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 7' ' ' CYS . . . . . 0.474 ' HB3' ' O ' ' D' ' 3' ' ' ASN . 0.0 OUTLIER -74.33 -41.36 61.23 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.712 -179.534 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' D' D ' 8' ' ' GLY . . . . . 0.532 ' HA2' ' HG ' ' D' ' 11' ' ' LEU . . . -60.54 -26.82 65.08 Favored Glycine 0 C--N 1.333 0.386 0 C-N-CA 121.185 -0.531 . . . . 0.0 111.878 179.236 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 9' ' ' SER . . . . . 0.504 ' O ' ' HG2' ' B' ' 13' ' ' GLU . 9.1 m -64.72 -19.33 65.71 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.093 0.473 . . . . 0.0 111.097 179.48 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 10' ' ' HIS . . . . . 0.498 ' HA ' ' HG3' ' D' ' 13' ' ' GLU . 98.7 m-70 -108.05 -15.47 14.51 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.427 -179.174 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 11' ' ' LEU . . . . . 0.623 HD11 ' HB2' ' C' ' 7' ' ' CYS . 35.7 mt -68.14 -34.21 75.91 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 177.768 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 12' ' ' VAL . . . . . 0.666 ' HA ' ' HB2' ' D' ' 15' ' ' LEU . 2.0 m -68.0 -28.85 42.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 115.079 -0.964 . . . . 0.0 112.118 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 13' ' ' GLU . . . . . 0.507 ' HG2' ' O ' ' B' ' 9' ' ' SER . 26.2 mt-10 -60.85 -53.72 53.94 Favored 'General case' 0 CA--C 1.52 -0.204 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 179.344 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.0 -27.42 64.68 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.615 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 15' ' ' LEU . . . . . 0.666 ' HB2' ' HA ' ' D' ' 12' ' ' VAL . 1.7 mt -56.59 -60.19 3.91 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.637 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 16' ' ' TYR . . . . . 0.815 ' HB3' ' HE2' ' D' ' 24' ' ' PHE . 0.9 OUTLIER -76.43 -15.7 59.86 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 119.973 -0.691 . . . . 0.0 110.707 -179.233 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 9.0 tt -67.19 -42.82 83.56 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 178.288 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 54.3 t -67.38 -36.45 76.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.428 -0.805 . . . . 0.0 109.498 178.084 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 19' ' ' CYS . . . . . 1.089 ' HB3' ' HB2' ' D' ' 22' ' ' ARG . 76.3 m -73.66 -15.81 61.23 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.687 179.776 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.39 -97.41 0.86 Allowed Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.984 -0.627 . . . . 0.0 111.771 -179.251 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -107.52 1.33 23.32 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.93 0.395 . . . . 0.0 110.389 178.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 22' ' ' ARG . . . . . 1.089 ' HB2' ' HB3' ' D' ' 19' ' ' CYS . 74.5 mtt180 -77.11 165.1 25.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.232 178.873 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 23' ' ' GLY . . . . . 0.499 ' HA3' HG22 ' B' ' 27' ' ' THR . . . -110.09 -162.02 18.75 Favored Glycine 0 N--CA 1.442 -0.935 0 N-CA-C 110.35 -1.1 . . . . 0.0 110.35 177.343 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 24' ' ' PHE . . . . . 0.815 ' HE2' ' HB3' ' D' ' 16' ' ' TYR . 5.2 p90 -172.77 169.91 4.79 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 117.28 0.54 . . . . 0.0 111.567 179.34 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 25' ' ' PHE . . . . . . . . . . . . . 7.4 p90 -114.49 110.55 20.0 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 177.811 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 26' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -109.65 119.69 40.17 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.919 -178.059 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 27' ' ' THR . . . . . 0.46 HG22 ' HA3' ' B' ' 23' ' ' GLY . 2.9 p -124.67 96.91 39.97 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-O 121.193 0.52 . . . . 0.0 110.343 179.622 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 28' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -84.43 41.16 0.95 Allowed 'Trans proline' 0 C--O 1.237 0.451 0 C-N-CA 123.393 2.728 . . . . 0.0 113.502 -178.662 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -87.48 136.79 32.8 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.826 0.346 . . . . 0.0 110.449 179.471 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 28.6 m . . . . . 0 C--O 1.252 1.199 0 CA-C-O 118.199 -0.905 . . . . 0.0 109.603 179.529 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.585 0 N-CA-C 111.959 -0.456 . . . . 0.0 111.959 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' E' E ' 2' ' ' ILE . . . . . . . . . . . . . 6.2 tt -142.81 -36.06 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.912 0.387 . . . . 0.0 110.992 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 27.3 m -61.83 -37.57 78.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -179.312 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 4' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -82.46 -3.01 55.02 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.126 0.488 . . . . 0.0 111.552 -179.085 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 5' ' ' GLN . . . . . 0.421 ' HG2' ' SG ' ' E' ' 11' ' ' CYS . 37.9 tt0 -107.95 -39.2 5.6 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.335 0.588 . . . . 0.0 110.87 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' E' E ' 6' ' ' CYS . . . . . . . . . . . . . 75.2 m -91.22 -34.17 15.09 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 112.335 0.494 . . . . 0.0 112.335 -178.339 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 7' ' ' CYS . . . . . 0.618 ' HB2' HD11 ' F' ' 11' ' ' LEU . 14.1 t -91.29 26.59 2.17 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.081 0.467 . . . . 0.0 111.091 -179.409 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 7.1 p -127.13 -64.82 0.98 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.713 179.251 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 9' ' ' SER . . . . . . . . . . . . . 41.9 m -125.08 14.04 8.42 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.015 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 10' ' ' ILE . . . . . . . . . . . . . 2.2 mp 69.33 141.48 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 CA-C-O 121.595 0.712 . . . . 0.0 111.037 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 11' ' ' CYS . . . . . 0.421 ' SG ' ' HG2' ' E' ' 5' ' ' GLN . 93.6 m -95.03 146.98 23.89 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.896 -179.033 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' E' E ' 12' ' ' SER . . . . . 0.407 ' HB3' ' HG3' ' E' ' 15' ' ' GLN . 26.7 t -74.7 162.79 28.39 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.482 178.78 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 9.8 tt -57.3 -43.83 83.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.995 0.426 . . . . 0.0 110.724 179.757 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -67.01 -32.9 74.43 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.042 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 15' ' ' GLN . . . . . 0.415 ' HA ' ' OD1' ' E' ' 18' ' ' ASN . 86.8 mt-30 -70.24 -40.7 74.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.054 0.454 . . . . 0.0 109.932 179.045 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' E' E ' 16' ' ' LEU . . . . . . . . . . . . . 95.0 mt -62.95 -37.47 87.21 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.774 179.466 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 17' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -66.82 -20.48 65.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.396 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 18' ' ' ASN . . . . . 0.415 ' OD1' ' HA ' ' E' ' 15' ' ' GLN . 26.8 m120 -66.85 -30.8 71.06 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.298 0.571 . . . . 0.0 109.779 178.472 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' E' E ' 19' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -94.44 -9.66 34.88 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.668 179.421 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 20' ' ' CYS . . . . . 0.614 ' HA ' ' HB3' ' F' ' 24' ' ' PHE . 24.2 t -78.4 161.06 27.42 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.675 -179.718 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' E' E ' 21' ' ' ASN . . . . . . . . . . . . . 32.3 t30 . . . . . 0 C--O 1.247 0.952 0 CA-C-O 118.503 -0.761 . . . . 0.0 110.41 -179.686 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' F' F ' 1' ' ' PHE . . . . . . . . . . . . . 38.1 t80 . . . . . 0 N--CA 1.477 0.899 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' F' F ' 2' ' ' VAL . . . . . 0.742 HG22 ' H ' ' F' ' 3' ' ' ASN . 4.3 p -73.95 -176.34 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 109.865 -0.421 . . . . 0.0 109.865 179.747 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' F' F ' 3' ' ' ASN . . . . . 0.742 ' H ' HG22 ' F' ' 2' ' ' VAL . 27.1 t-20 74.05 -73.76 0.09 Allowed 'General case' 0 C--O 1.212 -0.868 0 C-N-CA 122.882 0.473 . . . . 0.0 109.728 -179.708 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' F' F ' 4' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -57.45 -45.83 84.28 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.573 0.225 . . . . 0.0 111.259 179.476 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 5' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -69.11 -8.8 48.74 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -179.21 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 6' ' ' LEU . . . . . . . . . . . . . 30.4 mt -113.18 -31.14 6.72 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.698 0.761 . . . . 0.0 110.012 179.518 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 7' ' ' CYS . . . . . 0.475 ' HB3' ' O ' ' F' ' 3' ' ' ASN . 0.0 OUTLIER -75.09 -41.56 58.45 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.746 -1.116 . . . . 0.0 110.62 -179.509 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' F' F ' 8' ' ' GLY . . . . . 0.546 ' HA2' ' HG ' ' F' ' 11' ' ' LEU . . . -60.37 -26.58 64.33 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.996 -0.621 . . . . 0.0 111.957 179.041 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' F' F ' 9' ' ' SER . . . . . 0.497 ' O ' ' HG2' ' H' ' 13' ' ' GLU . 9.3 m -64.72 -19.21 65.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.059 0.457 . . . . 0.0 111.042 179.566 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' F' F ' 10' ' ' HIS . . . . . 0.505 ' HA ' ' HG3' ' F' ' 13' ' ' GLU . 99.0 m-70 -108.36 -15.55 14.44 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.443 -179.144 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' F' F ' 11' ' ' LEU . . . . . 0.618 HD11 ' HB2' ' E' ' 7' ' ' CYS . 36.1 mt -67.86 -34.42 76.67 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 177.601 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' F' F ' 12' ' ' VAL . . . . . 0.66 ' HA ' ' HB2' ' F' ' 15' ' ' LEU . 1.9 m -67.82 -28.47 41.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-N 115.046 -0.979 . . . . 0.0 112.296 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' F' F ' 13' ' ' GLU . . . . . 0.505 ' HG3' ' HA ' ' F' ' 10' ' ' HIS . 25.7 mt-10 -61.24 -53.45 56.67 Favored 'General case' 0 CA--C 1.519 -0.236 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 179.382 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' F' F ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.13 -27.38 64.52 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.635 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 15' ' ' LEU . . . . . 0.66 ' HB2' ' HA ' ' F' ' 12' ' ' VAL . 1.6 mt -57.0 -60.3 3.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.455 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' F' F ' 16' ' ' TYR . . . . . 0.829 ' HB3' ' HE2' ' F' ' 24' ' ' PHE . 0.8 OUTLIER -76.43 -15.51 59.91 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 119.845 -0.742 . . . . 0.0 110.68 -179.337 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 9.0 tt -67.19 -42.05 84.86 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 178.109 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 53.7 t -68.14 -37.19 77.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.362 178.256 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 19' ' ' CYS . . . . . 1.14 ' HB3' ' HB2' ' F' ' 22' ' ' ARG . 74.1 m -72.7 -16.58 61.67 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.395 -0.821 . . . . 0.0 111.785 179.696 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' F' F ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.6 -95.28 0.88 Allowed Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.975 -0.631 . . . . 0.0 111.802 -179.52 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 21' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -110.01 2.39 19.6 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.903 0.382 . . . . 0.0 110.226 178.701 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 22' ' ' ARG . . . . . 1.14 ' HB2' ' HB3' ' F' ' 19' ' ' CYS . 75.6 mtt180 -77.9 164.59 25.01 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.083 178.697 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' F' F ' 23' ' ' GLY . . . . . 0.469 ' HA3' HG22 ' H' ' 27' ' ' THR . . . -110.09 -162.13 18.8 Favored Glycine 0 N--CA 1.441 -0.976 0 N-CA-C 110.192 -1.163 . . . . 0.0 110.192 177.551 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' F' F ' 24' ' ' PHE . . . . . 0.829 ' HE2' ' HB3' ' F' ' 16' ' ' TYR . 5.3 p90 -172.3 170.39 5.09 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 117.517 0.659 . . . . 0.0 111.549 179.425 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' F' F ' 25' ' ' PHE . . . . . . . . . . . . . 7.6 p90 -114.98 110.28 19.38 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 177.76 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 26' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -109.58 119.32 39.04 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.974 -177.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 27' ' ' THR . . . . . 0.477 HG22 ' HA3' ' H' ' 23' ' ' GLY . 3.1 p -124.21 96.65 41.6 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-O 121.114 0.483 . . . . 0.0 110.527 179.574 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' F' F ' 28' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -84.36 45.16 1.66 Allowed 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 123.406 2.737 . . . . 0.0 113.13 -179.276 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 29' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -91.56 134.69 34.45 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.86 0.362 . . . . 0.0 110.475 179.618 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 30' ' ' THR . . . . . . . . . . . . . 23.2 m . . . . . 0 C--O 1.25 1.128 0 CA-C-O 117.964 -1.017 . . . . 0.0 109.275 179.684 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' G' G ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.037 0 N-CA-C 112.016 -0.434 . . . . 0.0 112.016 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' G' G ' 2' ' ' ILE . . . . . . . . . . . . . 6.7 tt -138.51 -36.62 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 O-C-N 122.77 -0.253 . . . . 0.0 111.163 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 25.4 m -60.77 -38.43 78.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -179.37 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' G' G ' 4' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -82.04 -1.99 50.27 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.944 0.402 . . . . 0.0 111.55 -179.218 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' G' G ' 5' ' ' GLN . . . . . 0.419 ' HG2' ' SG ' ' G' ' 11' ' ' CYS . 37.4 tt0 -108.82 -40.11 5.14 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 120.986 0.422 . . . . 0.0 110.663 179.564 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' G' G ' 6' ' ' CYS . . . . . . . . . . . . . 75.7 m -90.18 -33.98 16.0 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -178.563 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' G' G ' 7' ' ' CYS . . . . . 0.642 ' HB2' HD11 ' H' ' 11' ' ' LEU . 14.2 t -91.38 26.0 2.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.139 0.495 . . . . 0.0 111.472 -179.408 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' G' G ' 8' ' ' THR . . . . . . . . . . . . . 6.6 p -126.42 -63.96 1.06 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.969 0.414 . . . . 0.0 110.65 179.114 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' G' G ' 9' ' ' SER . . . . . . . . . . . . . 42.7 m -125.89 14.02 7.96 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.356 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' G' G ' 10' ' ' ILE . . . . . . . . . . . . . 2.2 mp 69.36 140.53 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 CA-C-O 121.697 0.761 . . . . 0.0 110.991 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' G' G ' 11' ' ' CYS . . . . . 0.419 ' SG ' ' HG2' ' G' ' 5' ' ' GLN . 94.6 m -94.56 146.85 23.83 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.831 -179.032 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' G' G ' 12' ' ' SER . . . . . . . . . . . . . 30.3 t -75.39 161.45 29.23 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.47 -0.787 . . . . 0.0 109.461 178.787 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' G' G ' 13' ' ' LEU . . . . . . . . . . . . . 10.0 tt -55.85 -43.97 77.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.949 0.404 . . . . 0.0 110.697 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -67.31 -32.19 72.99 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.074 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -71.06 -39.5 72.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.895 0.379 . . . . 0.0 110.094 178.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' G' G ' 16' ' ' LEU . . . . . . . . . . . . . 94.3 mt -63.97 -38.08 89.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.676 179.403 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' G' G ' 17' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -65.83 -21.45 66.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.415 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' G' G ' 18' ' ' ASN . . . . . . . . . . . . . 25.9 m120 -66.2 -31.99 73.15 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.339 0.59 . . . . 0.0 109.781 178.527 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' G' G ' 19' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -93.03 -10.6 35.62 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.782 179.346 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' G' G ' 20' ' ' CYS . . . . . 0.597 ' HA ' ' HB3' ' H' ' 24' ' ' PHE . 23.0 t -77.07 162.65 27.33 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.208 -0.906 . . . . 0.0 110.667 -179.803 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' G' G ' 21' ' ' ASN . . . . . . . . . . . . . 38.4 t30 . . . . . 0 C--O 1.245 0.834 0 CA-C-O 118.577 -0.725 . . . . 0.0 110.263 -179.722 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' H' H ' 1' ' ' PHE . . . . . . . . . . . . . 42.5 t80 . . . . . 0 N--CA 1.479 1.009 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' H' H ' 2' ' ' VAL . . . . . 0.759 HG22 ' H ' ' H' ' 3' ' ' ASN . 4.6 p -72.68 -176.91 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 179.628 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' H' H ' 3' ' ' ASN . . . . . 0.759 ' H ' HG22 ' H' ' 2' ' ' VAL . 27.5 t-20 74.59 -73.57 0.09 Allowed 'General case' 0 C--O 1.213 -0.84 0 C-N-CA 123.055 0.542 . . . . 0.0 109.561 -179.553 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' H' H ' 4' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -58.14 -44.46 87.85 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.76 0.314 . . . . 0.0 111.545 179.459 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' H' H ' 5' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -70.13 -8.99 54.13 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -179.232 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' H' H ' 6' ' ' LEU . . . . . . . . . . . . . 30.0 mt -113.06 -31.7 6.58 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.67 0.747 . . . . 0.0 110.011 179.565 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' H' H ' 7' ' ' CYS . . . . . 0.485 ' HB3' ' O ' ' H' ' 3' ' ' ASN . 0.0 OUTLIER -74.16 -41.9 60.76 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 114.889 -1.051 . . . . 0.0 110.621 -179.528 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' H' H ' 8' ' ' GLY . . . . . 0.562 ' HA2' ' HG ' ' H' ' 11' ' ' LEU . . . -60.22 -27.17 64.83 Favored Glycine 0 C--N 1.333 0.372 0 C-N-CA 121.06 -0.591 . . . . 0.0 111.939 179.329 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' H' H ' 9' ' ' SER . . . . . 0.493 ' O ' ' HG2' ' F' ' 13' ' ' GLU . 8.9 m -64.19 -19.0 65.03 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.113 0.482 . . . . 0.0 110.897 179.592 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' H' H ' 10' ' ' HIS . . . . . 0.506 ' HA ' ' HG3' ' H' ' 13' ' ' GLU . 98.7 m-70 -108.51 -15.08 14.52 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.49 -179.232 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' H' H ' 11' ' ' LEU . . . . . 0.642 HD11 ' HB2' ' G' ' 7' ' ' CYS . 36.3 mt -68.45 -34.31 75.73 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 177.797 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' H' H ' 12' ' ' VAL . . . . . 0.65 ' HA ' ' HB2' ' H' ' 15' ' ' LEU . 2.2 m -67.51 -29.18 44.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 114.92 -1.037 . . . . 0.0 112.169 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' H' H ' 13' ' ' GLU . . . . . 0.506 ' HG3' ' HA ' ' H' ' 10' ' ' HIS . 25.8 mt-10 -60.62 -53.98 50.92 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-O 121.392 0.615 . . . . 0.0 109.486 179.33 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' H' H ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.83 -27.64 65.03 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.21 -0.904 . . . . 0.0 110.662 179.459 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' H' H ' 15' ' ' LEU . . . . . 0.65 ' HB2' ' HA ' ' H' ' 12' ' ' VAL . 1.7 mt -56.62 -60.11 4.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.753 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' H' H ' 16' ' ' TYR . . . . . 0.83 ' HB3' ' HE2' ' H' ' 24' ' ' PHE . 0.9 OUTLIER -76.46 -15.8 59.82 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 119.914 -0.715 . . . . 0.0 110.538 -179.347 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 9.0 tt -66.56 -43.62 84.52 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 177.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 54.8 t -66.65 -38.1 80.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.468 178.079 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' H' H ' 19' ' ' CYS . . . . . 1.034 ' HB3' ' HB2' ' H' ' 22' ' ' ARG . 74.7 m -71.68 -16.68 62.26 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.756 179.568 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' H' H ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.09 -97.38 0.93 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 121.053 -0.594 . . . . 0.0 111.626 -179.193 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' H' H ' 21' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -108.24 3.76 23.96 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.846 0.355 . . . . 0.0 110.447 178.746 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' H' H ' 22' ' ' ARG . . . . . 1.034 ' HB2' ' HB3' ' H' ' 19' ' ' CYS . 74.9 mtt180 -79.08 165.47 23.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.037 178.661 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' H' H ' 23' ' ' GLY . . . . . 0.477 ' HA3' HG22 ' F' ' 27' ' ' THR . . . -110.67 -162.27 18.18 Favored Glycine 0 N--CA 1.444 -0.807 0 N-CA-C 110.338 -1.105 . . . . 0.0 110.338 177.349 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' H' H ' 24' ' ' PHE . . . . . 0.83 ' HE2' ' HB3' ' H' ' 16' ' ' TYR . 5.1 p90 -172.42 170.34 4.99 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 117.562 0.681 . . . . 0.0 111.567 179.395 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' H' H ' 25' ' ' PHE . . . . . . . . . . . . . 6.9 p90 -114.88 110.6 19.91 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 177.707 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' H' H ' 26' ' ' TYR . . . . . . . . . . . . . 81.9 t80 -109.88 118.72 37.22 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.061 -177.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' H' H ' 27' ' ' THR . . . . . 0.469 HG22 ' HA3' ' F' ' 23' ' ' GLY . 3.4 p -123.14 96.49 44.5 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-O 121.058 0.456 . . . . 0.0 110.422 179.465 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' H' H ' 28' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -84.24 44.36 1.52 Allowed 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 123.273 2.648 . . . . 0.0 113.208 -179.24 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' H' H ' 29' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -90.79 135.86 33.44 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.879 0.371 . . . . 0.0 110.3 179.541 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' H' H ' 30' ' ' THR . . . . . . . . . . . . . 25.9 m . . . . . 0 C--O 1.249 1.035 0 CA-C-O 117.97 -1.014 . . . . 0.0 109.136 179.586 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' I' I ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.766 0 N-CA-C 111.485 -0.646 . . . . 0.0 111.485 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' I' I ' 2' ' ' ILE . . . . . . . . . . . . . 6.5 tt -139.88 -35.94 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.627 0.251 . . . . 0.0 111.073 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' I' I ' 3' ' ' VAL . . . . . . . . . . . . . 23.0 m -61.3 -39.08 81.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -179.278 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' I' I ' 4' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -81.06 -3.06 50.61 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.156 0.503 . . . . 0.0 111.687 -179.047 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' I' I ' 5' ' ' GLN . . . . . 0.406 ' HG2' ' SG ' ' I' ' 11' ' ' CYS . 37.9 tt0 -107.83 -40.04 5.38 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.22 0.533 . . . . 0.0 110.715 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' I' I ' 6' ' ' CYS . . . . . . . . . . . . . 74.6 m -90.29 -34.24 15.82 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -178.478 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' I' I ' 7' ' ' CYS . . . . . 0.615 ' HB2' HD11 ' J' ' 11' ' ' LEU . 13.7 t -91.21 26.51 2.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.192 0.52 . . . . 0.0 111.224 -179.36 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' I' I ' 8' ' ' THR . . . . . . . . . . . . . 9.7 p -126.99 -64.31 1.01 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.928 0.394 . . . . 0.0 110.594 179.198 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' I' I ' 9' ' ' SER . . . . . . . . . . . . . 49.8 m -125.41 13.2 8.19 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.379 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' I' I ' 10' ' ' ILE . . . . . . . . . . . . . 2.2 mp 70.18 140.62 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-O 121.662 0.744 . . . . 0.0 111.042 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' I' I ' 11' ' ' CYS . . . . . 0.406 ' SG ' ' HG2' ' I' ' 5' ' ' GLN . 87.1 m -94.51 146.07 24.35 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.926 -178.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' I' I ' 12' ' ' SER . . . . . . . . . . . . . 35.9 t -74.76 162.23 28.88 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.52 178.705 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' I' I ' 13' ' ' LEU . . . . . . . . . . . . . 9.8 tt -55.85 -44.49 78.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.875 0.369 . . . . 0.0 110.746 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -67.05 -31.47 72.0 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.352 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -71.79 -39.95 69.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.002 0.429 . . . . 0.0 109.915 178.747 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' I' I ' 16' ' ' LEU . . . . . . . . . . . . . 94.7 mt -63.31 -38.34 90.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.678 179.297 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' I' I ' 17' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -65.83 -20.12 66.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.492 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' I' I ' 18' ' ' ASN . . . . . . . . . . . . . 24.9 m120 -66.99 -32.53 73.83 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 121.284 0.564 . . . . 0.0 109.524 178.568 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' I' I ' 19' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -92.85 -10.25 37.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.82 179.694 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' I' I ' 20' ' ' CYS . . . . . 0.609 ' HA ' ' HB3' ' J' ' 24' ' ' PHE . 24.7 t -77.31 162.87 26.97 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.164 -0.926 . . . . 0.0 110.5 -179.633 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' I' I ' 21' ' ' ASN . . . . . . . . . . . . . 35.2 t30 . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.615 -0.707 . . . . 0.0 110.466 -179.524 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' J' J ' 1' ' ' PHE . . . . . . . . . . . . . 39.3 t80 . . . . . 0 N--CA 1.479 1.014 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' J' J ' 2' ' ' VAL . . . . . 0.757 HG22 ' H ' ' J' ' 3' ' ' ASN . 4.3 p -73.0 -176.56 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 179.631 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' J' J ' 3' ' ' ASN . . . . . 0.757 ' H ' HG22 ' J' ' 2' ' ' VAL . 24.5 t-20 73.86 -73.41 0.1 Allowed 'General case' 0 C--O 1.212 -0.89 0 C-N-CA 123.053 0.541 . . . . 0.0 109.729 -179.615 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' J' J ' 4' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -57.93 -44.84 87.13 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.697 0.284 . . . . 0.0 111.49 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' J' J ' 5' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -69.88 -8.87 52.18 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.895 -179.262 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' J' J ' 6' ' ' LEU . . . . . . . . . . . . . 30.0 mt -113.43 -30.59 6.83 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.772 0.796 . . . . 0.0 110.029 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' J' J ' 7' ' ' CYS . . . . . 0.49 ' HB3' ' O ' ' J' ' 3' ' ' ASN . 0.0 OUTLIER -75.57 -41.24 55.22 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 114.776 -1.102 . . . . 0.0 110.655 -179.439 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' J' J ' 8' ' ' GLY . . . . . 0.588 ' HA2' ' HG ' ' J' ' 11' ' ' LEU . . . -61.07 -26.09 65.25 Favored Glycine 0 C--N 1.331 0.282 0 C-N-CA 121.055 -0.593 . . . . 0.0 111.885 179.202 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' J' J ' 9' ' ' SER . . . . . 0.511 ' O ' ' HG2' ' L' ' 13' ' ' GLU . 9.1 m -64.96 -18.94 65.7 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.072 0.463 . . . . 0.0 110.884 179.539 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' J' J ' 10' ' ' HIS . . . . . 0.492 ' HA ' ' HG3' ' J' ' 13' ' ' GLU . 99.0 m-70 -108.6 -15.21 14.48 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 120.844 -0.342 . . . . 0.0 111.513 -179.271 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' J' J ' 11' ' ' LEU . . . . . 0.615 HD11 ' HB2' ' I' ' 7' ' ' CYS . 37.8 mt -68.33 -34.01 75.33 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 177.83 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' J' J ' 12' ' ' VAL . . . . . 0.648 ' HA ' ' HB2' ' J' ' 15' ' ' LEU . 2.0 m -68.01 -28.68 42.07 Favored 'Isoleucine or valine' 0 C--O 1.232 0.147 0 CA-C-N 115.031 -0.986 . . . . 0.0 112.129 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' J' J ' 13' ' ' GLU . . . . . 0.498 ' HG2' ' O ' ' L' ' 9' ' ' SER . 26.0 mt-10 -61.0 -53.52 56.25 Favored 'General case' 0 CA--C 1.517 -0.323 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 179.342 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' J' J ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.35 -27.11 64.09 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.62 179.436 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' J' J ' 15' ' ' LEU . . . . . 0.648 ' HB2' ' HA ' ' J' ' 12' ' ' VAL . 1.7 mt -57.0 -60.46 3.55 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.598 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' J' J ' 16' ' ' TYR . . . . . 0.79 ' HB3' ' HE2' ' J' ' 24' ' ' PHE . 0.9 OUTLIER -76.26 -15.38 60.02 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 119.78 -0.768 . . . . 0.0 110.651 -179.275 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 9.1 tt -67.37 -41.92 84.26 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 178.075 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 53.2 t -68.57 -36.17 73.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.264 178.244 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' J' J ' 19' ' ' CYS . . . . . 1.102 ' HB3' ' HB2' ' J' ' 22' ' ' ARG . 75.9 m -74.07 -14.85 61.06 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.76 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' J' J ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.84 -95.48 0.72 Allowed Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 121.038 -0.601 . . . . 0.0 111.685 -179.463 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' J' J ' 21' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -109.34 1.76 20.27 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.856 0.36 . . . . 0.0 110.276 178.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' J' J ' 22' ' ' ARG . . . . . 1.102 ' HB2' ' HB3' ' J' ' 19' ' ' CYS . 73.2 mtt180 -77.51 164.61 25.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.225 178.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' J' J ' 23' ' ' GLY . . . . . 0.502 ' HA3' HG22 ' L' ' 27' ' ' THR . . . -109.68 -162.24 19.31 Favored Glycine 0 N--CA 1.442 -0.943 0 N-CA-C 110.251 -1.14 . . . . 0.0 110.251 177.485 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' J' J ' 24' ' ' PHE . . . . . 0.79 ' HE2' ' HB3' ' J' ' 16' ' ' TYR . 5.2 p90 -172.42 170.15 5.05 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 117.428 0.614 . . . . 0.0 111.441 179.271 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' J' J ' 25' ' ' PHE . . . . . . . . . . . . . 7.5 p90 -115.08 109.67 18.4 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 177.761 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' J' J ' 26' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -108.85 118.74 37.59 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.017 -177.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' J' J ' 27' ' ' THR . . . . . 0.499 HG22 ' HA3' ' L' ' 23' ' ' GLY . 2.5 p -123.54 97.4 42.2 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-O 121.114 0.483 . . . . 0.0 110.293 179.415 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' J' J ' 28' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -85.22 43.43 1.25 Allowed 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 123.191 2.594 . . . . 0.0 113.377 -178.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' J' J ' 29' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -89.85 135.91 33.36 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.956 0.408 . . . . 0.0 110.31 179.586 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' J' J ' 30' ' ' THR . . . . . . . . . . . . . 31.5 m . . . . . 0 C--O 1.251 1.16 0 CA-C-O 118.567 -0.73 . . . . 0.0 109.927 179.784 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.822 0 N-CA-C 111.721 -0.552 . . . . 0.0 111.721 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' K' K ' 2' ' ' ILE . . . . . . . . . . . . . 7.3 tt -140.45 -36.27 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.812 0.339 . . . . 0.0 111.311 -179.161 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' K' K ' 3' ' ' VAL . . . . . . . . . . . . . 23.8 m -61.4 -39.09 81.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 112.559 0.578 . . . . 0.0 112.559 -179.081 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' K' K ' 4' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -81.95 -0.78 45.53 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.025 0.44 . . . . 0.0 111.527 -179.21 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' K' K ' 5' ' ' GLN . . . . . 0.423 ' HG2' ' SG ' ' K' ' 11' ' ' CYS . 37.8 tt0 -109.69 -39.57 5.08 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 121.171 0.51 . . . . 0.0 110.383 179.782 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' K' K ' 6' ' ' CYS . . . . . . . . . . . . . 72.8 m -90.65 -34.43 15.44 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.355 -178.595 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' K' K ' 7' ' ' CYS . . . . . 0.617 ' HB2' HD11 ' L' ' 11' ' ' LEU . 13.3 t -91.07 26.75 2.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.183 0.516 . . . . 0.0 111.226 -179.462 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' K' K ' 8' ' ' THR . . . . . . . . . . . . . 6.8 p -126.9 -63.9 1.04 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.715 179.264 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' K' K ' 9' ' ' SER . . . . . . . . . . . . . 51.0 m -126.89 14.98 7.44 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.259 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' K' K ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 mp 68.85 141.0 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 CA-C-O 121.715 0.769 . . . . 0.0 111.13 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' K' K ' 11' ' ' CYS . . . . . 0.423 ' SG ' ' HG2' ' K' ' 5' ' ' GLN . 88.3 m -95.11 146.67 24.13 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.807 -178.826 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' K' K ' 12' ' ' SER . . . . . . . . . . . . . 45.1 t -75.35 163.46 27.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.628 178.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' K' K ' 13' ' ' LEU . . . . . . . . . . . . . 9.6 tt -56.88 -44.45 82.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.928 0.394 . . . . 0.0 110.67 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -67.33 -31.18 71.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.255 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -71.65 -40.51 69.64 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 178.78 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' K' K ' 16' ' ' LEU . . . . . . . . . . . . . 94.5 mt -63.21 -37.63 87.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.841 179.405 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' K' K ' 17' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -66.41 -21.03 66.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.139 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' K' K ' 18' ' ' ASN . . . . . . . . . . . . . 24.5 m120 -66.3 -32.38 73.75 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 178.613 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' K' K ' 19' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -92.88 -10.84 35.17 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.738 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' K' K ' 20' ' ' CYS . . . . . 0.604 ' HA ' ' HB3' ' L' ' 24' ' ' PHE . 25.2 t -77.36 161.34 28.11 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.517 -179.777 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' K' K ' 21' ' ' ASN . . . . . . . . . . . . . 43.6 t30 . . . . . 0 C--O 1.246 0.918 0 CA-C-O 118.634 -0.698 . . . . 0.0 110.57 -179.728 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' L' L ' 1' ' ' PHE . . . . . . . . . . . . . 37.5 t80 . . . . . 0 N--CA 1.48 1.032 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' L' L ' 2' ' ' VAL . . . . . 0.769 HG22 ' H ' ' L' ' 3' ' ' ASN . 4.5 p -73.95 -176.28 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 179.52 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' L' L ' 3' ' ' ASN . . . . . 0.769 ' H ' HG22 ' L' ' 2' ' ' VAL . 24.3 t-20 74.05 -73.29 0.1 Allowed 'General case' 0 C--O 1.213 -0.838 0 C-N-CA 123.108 0.563 . . . . 0.0 109.897 -179.672 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' L' L ' 4' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -58.06 -44.59 87.58 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.847 0.356 . . . . 0.0 111.509 179.457 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' L' L ' 5' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -70.43 -8.8 53.72 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.749 -179.294 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' L' L ' 6' ' ' LEU . . . . . . . . . . . . . 29.7 mt -113.24 -30.32 6.97 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.664 0.745 . . . . 0.0 110.15 179.525 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' L' L ' 7' ' ' CYS . . . . . 0.491 ' HB3' ' O ' ' L' ' 3' ' ' ASN . 0.0 OUTLIER -75.64 -41.87 52.97 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.857 -1.065 . . . . 0.0 110.617 -179.389 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' L' L ' 8' ' ' GLY . . . . . 0.566 ' HA2' ' HG ' ' L' ' 11' ' ' LEU . . . -60.17 -27.14 64.65 Favored Glycine 0 C--N 1.331 0.299 0 C-N-CA 121.115 -0.564 . . . . 0.0 112.01 179.197 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' L' L ' 9' ' ' SER . . . . . 0.498 ' O ' ' HG2' ' J' ' 13' ' ' GLU . 7.5 m -64.07 -19.21 65.07 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.09 0.471 . . . . 0.0 110.932 179.413 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' L' L ' 10' ' ' HIS . . . . . 0.489 ' HA ' ' HG3' ' L' ' 13' ' ' GLU . 98.7 m-70 -108.35 -15.35 14.49 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.484 -179.195 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' L' L ' 11' ' ' LEU . . . . . 0.617 HD11 ' HB2' ' K' ' 7' ' ' CYS . 38.4 mt -68.32 -34.13 75.57 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 177.76 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' L' L ' 12' ' ' VAL . . . . . 0.648 ' HA ' ' HB2' ' L' ' 15' ' ' LEU . 2.1 m -68.12 -28.69 41.91 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-N 115.06 -0.973 . . . . 0.0 112.214 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' L' L ' 13' ' ' GLU . . . . . 0.511 ' HG2' ' O ' ' J' ' 9' ' ' SER . 25.9 mt-10 -60.7 -53.69 54.35 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.283 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' L' L ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.13 -27.25 64.42 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.743 179.435 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' L' L ' 15' ' ' LEU . . . . . 0.648 ' HB2' ' HA ' ' L' ' 12' ' ' VAL . 1.7 mt -56.99 -60.62 3.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.496 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' L' L ' 16' ' ' TYR . . . . . 0.8 ' HB3' ' HE2' ' L' ' 24' ' ' PHE . 0.8 OUTLIER -75.91 -15.5 60.18 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 120.0 -0.68 . . . . 0.0 110.717 -179.289 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 9.1 tt -67.1 -43.32 82.81 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 178.002 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 53.6 t -66.75 -37.78 80.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.495 178.145 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' L' L ' 19' ' ' CYS . . . . . 1.122 ' HB3' ' HB2' ' L' ' 22' ' ' ARG . 74.2 m -71.74 -17.65 62.18 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.662 179.528 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' L' L ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.31 -95.44 0.96 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 121.014 -0.612 . . . . 0.0 111.606 -179.357 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' L' L ' 21' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -110.32 3.56 19.97 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-O 120.952 0.406 . . . . 0.0 110.319 178.684 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' L' L ' 22' ' ' ARG . . . . . 1.122 ' HB2' ' HB3' ' L' ' 19' ' ' CYS . 73.0 mtt180 -79.52 163.9 24.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.938 -0.573 . . . . 0.0 109.898 178.675 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' L' L ' 23' ' ' GLY . . . . . 0.499 ' HA3' HG22 ' J' ' 27' ' ' THR . . . -109.14 -162.4 19.96 Favored Glycine 0 N--CA 1.442 -0.915 0 N-CA-C 110.548 -1.021 . . . . 0.0 110.548 177.466 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' L' L ' 24' ' ' PHE . . . . . 0.8 ' HE2' ' HB3' ' L' ' 16' ' ' TYR . 5.3 p90 -171.87 170.75 5.36 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 117.477 0.638 . . . . 0.0 111.424 179.423 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' L' L ' 25' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -115.25 110.6 19.69 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 177.66 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' L' L ' 26' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -109.8 118.79 37.43 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.063 -177.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' L' L ' 27' ' ' THR . . . . . 0.502 HG22 ' HA3' ' J' ' 23' ' ' GLY . 4.1 p -123.64 97.09 42.39 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-O 121.265 0.555 . . . . 0.0 110.677 179.436 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' L' L ' 28' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -84.92 44.38 1.45 Allowed 'Trans proline' 0 C--O 1.236 0.419 0 C-N-CA 123.31 2.673 . . . . 0.0 113.297 -178.833 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' L' L ' 29' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm . . . . . 0 C--N 1.323 -0.579 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.075 179.41 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.48 0 N-CA-C 111.651 -0.58 . . . . 0.0 111.651 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.746 HG23 ' H ' ' A' ' 3' ' ' VAL . 14.6 tt 43.18 -78.99 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 C-N-CA 125.006 1.322 . . . . 0.0 114.407 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.746 ' H ' HG23 ' A' ' 2' ' ' ILE . 6.7 t -53.09 -78.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.074 0.464 . . . . 0.0 111.801 -179.471 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -82.84 44.77 0.94 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 122.017 0.913 . . . . 0.0 110.704 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -128.72 -32.81 2.1 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 113.574 -1.648 . . . . 0.0 107.196 178.513 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.482 ' HA ' ' O ' ' A' ' 9' ' ' SER . 70.1 m -107.9 -22.18 12.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 114.335 -1.302 . . . . 0.0 111.136 -179.617 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 50.5 t -81.41 -36.82 29.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.22 0.533 . . . . 0.0 109.844 179.314 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.446 ' O ' HG11 ' F' ' 2' ' ' VAL . 3.8 p -82.11 -12.89 57.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.388 179.362 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.482 ' O ' ' HA ' ' A' ' 6' ' ' CYS . 6.0 p -167.37 110.53 0.67 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.161 -0.927 . . . . 0.0 108.946 179.761 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.597 HD13 ' HA ' ' F' ' 2' ' ' VAL . 1.8 mp -48.07 124.63 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 123.813 0.695 . . . . 0.0 111.938 -178.31 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 84.6 m -87.43 153.92 21.06 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.486 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.7 t -71.83 155.27 40.6 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 178.266 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.8 tt -56.11 -36.13 67.85 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.92 0.391 . . . . 0.0 110.444 -179.681 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -67.5 -34.08 76.4 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.867 179.709 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -69.93 -42.03 73.82 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 178.534 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.593 ' HB3' HD23 ' B' ' 15' ' ' LEU . 82.4 mt -67.56 -33.67 75.51 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.944 178.814 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -62.43 -23.18 66.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.014 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 29.8 m120 -65.42 -20.95 66.59 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.986 0.422 . . . . 0.0 110.759 178.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.474 ' CD1' HD12 ' A' ' 2' ' ' ILE . 32.5 m-85 -106.12 12.33 30.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.413 -179.729 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 48.9 t -95.88 106.18 18.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.208 -179.578 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.538 ' H ' ' HA ' ' B' ' 24' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--O 1.252 1.199 0 CA-C-O 118.073 -0.965 . . . . 0.0 112.416 179.091 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 5.3 t80 . . . . . 0 N--CA 1.48 1.052 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 2' ' ' VAL . . . . . 0.644 ' O ' ' HG ' ' B' ' 6' ' ' LEU . 18.0 m -65.98 -48.89 80.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -177.123 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 59.2 m-20 -65.22 -23.87 67.19 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 121.96 -0.462 . . . . 0.0 110.52 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 4' ' ' GLN . . . . . 0.555 ' HG3' HG11 ' A' ' 3' ' ' VAL . 38.1 tt0 -64.28 -35.87 82.24 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.329 0.585 . . . . 0.0 110.048 178.54 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 68.4 t60 -89.59 -22.15 22.49 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.386 -179.438 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.644 ' HG ' ' O ' ' B' ' 2' ' ' VAL . 21.8 mt -97.1 -70.82 0.7 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.318 0.58 . . . . 0.0 110.744 -179.6 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 32.3 t -60.89 -35.36 76.45 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.053 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.97 -30.87 64.0 Favored Glycine 0 N--CA 1.45 -0.382 0 CA-C-N 116.076 -0.511 . . . . 0.0 112.95 179.677 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 9' ' ' SER . . . . . 0.439 ' HB3' ' HG2' ' D' ' 13' ' ' GLU . 15.2 m -72.51 -3.01 21.92 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.692 0.282 . . . . 0.0 111.55 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 -117.19 -11.09 10.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.766 0.317 . . . . 0.0 111.098 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.521 HD12 ' HA ' ' A' ' 3' ' ' VAL . 46.0 mt -70.2 -23.48 62.95 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 178.284 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.897 HG21 HG21 ' D' ' 12' ' ' VAL . 3.5 m -64.44 -37.89 81.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 114.803 -1.09 . . . . 0.0 111.042 178.874 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.48 ' O ' ' HG ' ' B' ' 17' ' ' LEU . 29.2 mt-10 -61.75 -37.83 85.7 Favored 'General case' 0 C--O 1.232 0.156 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 179.741 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 14' ' ' ALA . . . . . 0.402 ' O ' HG23 ' B' ' 18' ' ' VAL . . . -62.85 -47.05 85.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.051 178.452 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.593 HD23 ' HB3' ' A' ' 16' ' ' LEU . 54.7 mt -64.68 -44.7 89.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.512 0.673 . . . . 0.0 109.997 178.688 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 16' ' ' TYR . . . . . 0.433 ' HB2' ' O ' ' B' ' 12' ' ' VAL . 0.7 OUTLIER -54.11 -45.56 71.91 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.659 -1.155 . . . . 0.0 111.993 -179.033 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.752 HD12 HD12 ' H' ' 17' ' ' LEU . 75.3 mt -67.87 -33.39 74.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.132 -179.735 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.402 HG23 ' O ' ' B' ' 14' ' ' ALA . 72.3 t -71.11 -44.89 74.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.002 178.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 19' ' ' CYS . . . . . 0.86 ' HB3' ' HB3' ' B' ' 22' ' ' ARG . 77.7 m -67.69 -52.4 38.33 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.986 -179.49 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 20' ' ' GLY . . . . . 0.464 ' O ' ' HB2' ' B' ' 21' ' ' GLU . . . 68.29 86.39 0.09 OUTLIER Glycine 0 CA--C 1.517 0.214 0 C-N-CA 120.721 -0.752 . . . . 0.0 111.907 -179.74 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.464 ' HB2' ' O ' ' B' ' 20' ' ' GLY . 45.2 mt-10 74.99 -26.41 0.19 Allowed 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.533 0.733 . . . . 0.0 111.315 -178.695 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 22' ' ' ARG . . . . . 0.86 ' HB3' ' HB3' ' B' ' 19' ' ' CYS . 52.5 ttt180 -69.07 126.63 30.4 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 178.575 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 23' ' ' GLY . . . . . 0.761 ' HA3' ' HA ' ' D' ' 27' ' ' THR . . . -72.84 150.26 44.25 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.179 -1.01 . . . . 0.0 111.868 -179.679 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 24' ' ' PHE . . . . . 0.538 ' HA ' ' H ' ' A' ' 21' ' ' ASN . 3.9 p90 -123.97 166.09 16.31 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 120.989 0.423 . . . . 0.0 110.447 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 25' ' ' PHE . . . . . 0.444 ' CZ ' ' HA ' ' A' ' 19' ' ' TYR . 36.4 p90 -114.81 128.97 56.6 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.369 -0.975 . . . . 0.0 108.369 178.533 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -126.6 93.11 3.7 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.663 -178.363 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 27' ' ' THR . . . . . 0.778 ' HA ' ' HA3' ' D' ' 23' ' ' GLY . 16.9 m -126.2 106.34 24.81 Favored Pre-proline 0 C--N 1.317 -0.814 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.629 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 28' ' ' PRO . . . . . 0.452 ' HB3' HG21 ' A' ' 3' ' ' VAL . 6.5 Cg_exo -74.08 45.32 1.13 Allowed 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 123.505 2.803 . . . . 0.0 111.533 179.67 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.481 ' HB2' HG22 ' B' ' 27' ' ' THR . 28.4 tttp -110.99 4.77 19.81 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.161 -178.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 26.8 m . . . . . 0 C--O 1.247 0.937 0 CA-C-O 117.855 -1.069 . . . . 0.0 108.833 179.884 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.28 0 N-CA-C 111.796 -0.522 . . . . 0.0 111.796 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' C' C ' 2' ' ' ILE . . . . . 0.746 HG23 ' H ' ' C' ' 3' ' ' VAL . 14.4 tt 43.33 -79.5 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 125.033 1.333 . . . . 0.0 114.241 -179.679 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 3' ' ' VAL . . . . . 0.746 ' H ' HG23 ' C' ' 2' ' ' ILE . 5.6 t -52.2 -78.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 121.149 0.5 . . . . 0.0 111.839 -179.491 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -83.04 44.3 0.92 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 122.143 0.973 . . . . 0.0 110.662 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -128.71 -31.27 2.22 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 113.696 -1.593 . . . . 0.0 107.347 178.527 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 6' ' ' CYS . . . . . 0.478 ' HA ' ' O ' ' C' ' 9' ' ' SER . 67.0 m -109.38 -22.06 12.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.33 -1.304 . . . . 0.0 110.99 -179.717 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 7' ' ' CYS . . . . . . . . . . . . . 46.8 t -81.15 -37.43 28.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.256 0.55 . . . . 0.0 109.784 179.017 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 8' ' ' THR . . . . . 0.452 ' O ' HG11 ' L' ' 2' ' ' VAL . 4.3 p -82.16 -12.33 58.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.55 179.37 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 9' ' ' SER . . . . . 0.478 ' O ' ' HA ' ' C' ' 6' ' ' CYS . 11.9 p -167.2 110.37 0.69 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.071 179.533 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 10' ' ' ILE . . . . . 0.596 HD13 ' HA ' ' L' ' 2' ' ' VAL . 1.8 mp -48.07 124.61 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 123.55 0.531 . . . . 0.0 111.803 -178.42 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 84.4 m -87.3 153.49 21.43 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.553 179.686 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 35.7 t -71.07 155.54 40.68 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 178.096 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 9.8 tt -56.36 -36.37 68.73 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.988 0.423 . . . . 0.0 110.204 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -67.3 -34.33 77.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.831 179.652 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -69.53 -42.45 74.65 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 178.528 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 16' ' ' LEU . . . . . 0.586 ' HB3' HD23 ' D' ' 15' ' ' LEU . 83.5 mt -67.49 -33.23 74.68 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.143 179.045 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -62.89 -22.89 67.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.035 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 30.0 m120 -66.4 -19.51 65.82 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.85 0.357 . . . . 0.0 110.59 179.146 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 19' ' ' TYR . . . . . 0.458 ' CD1' HD12 ' C' ' 2' ' ' ILE . 32.7 m-85 -107.22 12.4 28.33 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.094 0.473 . . . . 0.0 109.998 -179.731 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 48.7 t -96.3 105.62 17.72 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.1 -179.496 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 21' ' ' ASN . . . . . 0.538 ' H ' ' HA ' ' D' ' 24' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--O 1.248 1.01 0 CA-C-O 117.945 -1.026 . . . . 0.0 112.45 179.2 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 5.3 t80 . . . . . 0 N--CA 1.477 0.901 0 CA-C-O 120.87 0.367 . . . . 0.0 111.796 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' D' D ' 2' ' ' VAL . . . . . 0.635 ' O ' ' HG ' ' D' ' 6' ' ' LEU . 18.5 m -67.04 -48.91 77.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 -177.315 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 3' ' ' ASN . . . . . . . . . . . . . 54.2 m-20 -65.65 -23.29 66.76 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 122.111 -0.368 . . . . 0.0 110.404 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 4' ' ' GLN . . . . . 0.555 ' HG3' HG11 ' C' ' 3' ' ' VAL . 38.1 tt0 -64.43 -35.65 81.59 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.397 0.618 . . . . 0.0 110.053 178.543 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 5' ' ' HIS . . . . . . . . . . . . . 69.0 t60 -90.2 -21.92 21.93 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.442 -179.53 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 6' ' ' LEU . . . . . 0.635 ' HG ' ' O ' ' D' ' 2' ' ' VAL . 23.2 mt -96.9 -70.49 0.72 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.249 0.547 . . . . 0.0 110.761 -179.62 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 7' ' ' CYS . . . . . . . . . . . . . 28.6 t -61.25 -34.95 75.99 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.316 -0.856 . . . . 0.0 111.175 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 8' ' ' GLY . . . . . . . . . . . . . . . -58.4 -31.27 66.09 Favored Glycine 0 C--N 1.329 0.193 0 CA-C-N 116.14 -0.482 . . . . 0.0 112.811 179.715 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 9' ' ' SER . . . . . 0.436 ' HB3' ' HG2' ' B' ' 13' ' ' GLU . 15.1 m -71.82 -3.47 22.41 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.754 0.311 . . . . 0.0 111.507 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 10' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 -116.74 -11.16 10.98 Favored 'General case' 0 CA--C 1.517 -0.309 0 O-C-N 122.115 -0.365 . . . . 0.0 111.33 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 11' ' ' LEU . . . . . 0.508 HD12 ' HA ' ' C' ' 3' ' ' VAL . 44.0 mt -70.12 -23.41 63.02 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 178.2 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 12' ' ' VAL . . . . . 0.897 HG21 HG21 ' B' ' 12' ' ' VAL . 3.4 m -64.72 -37.72 80.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 114.781 -1.099 . . . . 0.0 110.959 178.859 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 13' ' ' GLU . . . . . 0.458 ' O ' ' HG ' ' D' ' 17' ' ' LEU . 29.3 mt-10 -61.76 -38.02 86.45 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 179.749 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 14' ' ' ALA . . . . . 0.413 ' O ' HG23 ' D' ' 18' ' ' VAL . . . -62.8 -46.49 87.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.011 178.477 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 15' ' ' LEU . . . . . 0.586 HD23 ' HB3' ' C' ' 16' ' ' LEU . 55.3 mt -65.16 -44.59 88.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.583 0.706 . . . . 0.0 110.05 178.856 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 16' ' ' TYR . . . . . 0.446 ' HB2' ' O ' ' D' ' 12' ' ' VAL . 0.8 OUTLIER -53.93 -46.24 71.45 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.515 -1.221 . . . . 0.0 111.84 -179.13 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' D' D ' 17' ' ' LEU . . . . . 0.726 HD12 HD12 ' J' ' 17' ' ' LEU . 77.2 mt -67.77 -31.66 71.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.234 -179.539 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 18' ' ' VAL . . . . . 0.413 HG23 ' O ' ' D' ' 14' ' ' ALA . 69.0 t -73.28 -44.49 55.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.375 0.607 . . . . 0.0 109.771 179.188 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 19' ' ' CYS . . . . . 0.879 ' HB3' ' HB3' ' D' ' 22' ' ' ARG . 78.1 m -67.7 -52.44 37.75 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.797 -179.687 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 20' ' ' GLY . . . . . 0.467 ' O ' ' HB2' ' D' ' 21' ' ' GLU . . . 68.15 86.18 0.1 OUTLIER Glycine 0 CA--C 1.518 0.278 0 C-N-CA 120.719 -0.753 . . . . 0.0 111.928 -179.754 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 21' ' ' GLU . . . . . 0.467 ' HB2' ' O ' ' D' ' 20' ' ' GLY . 44.3 mt-10 75.87 -27.78 0.18 Allowed 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.522 0.729 . . . . 0.0 111.008 -178.631 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 22' ' ' ARG . . . . . 0.879 ' HB3' ' HB3' ' D' ' 19' ' ' CYS . 52.4 ttt180 -68.23 125.78 27.48 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 178.679 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 23' ' ' GLY . . . . . 0.778 ' HA3' ' HA ' ' B' ' 27' ' ' THR . . . -72.03 150.69 46.25 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.144 -1.027 . . . . 0.0 111.791 -179.704 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 24' ' ' PHE . . . . . 0.538 ' HA ' ' H ' ' C' ' 21' ' ' ASN . 3.7 p90 -124.23 166.06 16.53 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 120.959 0.409 . . . . 0.0 110.511 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 25' ' ' PHE . . . . . 0.409 ' CZ ' ' HA ' ' C' ' 19' ' ' TYR . 37.1 p90 -115.06 128.17 56.07 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 178.602 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 26' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -126.12 92.46 3.59 Favored 'General case' 0 C--N 1.319 -0.732 0 C-N-CA 120.257 -0.577 . . . . 0.0 110.724 -178.186 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 27' ' ' THR . . . . . 0.761 ' HA ' ' HA3' ' B' ' 23' ' ' GLY . 23.3 m -125.7 106.39 26.45 Favored Pre-proline 0 C--N 1.32 -0.711 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.613 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 28' ' ' PRO . . . . . 0.467 ' HB3' HG21 ' C' ' 3' ' ' VAL . 6.0 Cg_exo -74.64 48.48 1.91 Allowed 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 123.412 2.741 . . . . 0.0 111.098 179.479 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 29' ' ' LYS . . . . . 0.475 ' HB2' HG22 ' D' ' 27' ' ' THR . 29.0 tttp -113.28 2.55 15.58 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.451 0.643 . . . . 0.0 109.681 -179.067 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 44.9 m . . . . . 0 C--O 1.248 0.982 0 CA-C-O 118.507 -0.759 . . . . 0.0 109.512 179.849 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.21 0 N-CA-C 111.403 -0.679 . . . . 0.0 111.403 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' E' E ' 2' ' ' ILE . . . . . 0.739 HG23 ' H ' ' E' ' 3' ' ' VAL . 14.4 tt 42.58 -78.93 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 N-CA-C 114.617 1.34 . . . . 0.0 114.617 -179.721 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' E' E ' 3' ' ' VAL . . . . . 0.739 ' H ' HG23 ' E' ' 2' ' ' ILE . 5.5 t -52.79 -79.14 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-O 121.133 0.492 . . . . 0.0 111.721 -179.528 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' E' E ' 4' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -82.31 44.84 0.9 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 122.197 0.999 . . . . 0.0 110.819 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -128.98 -32.26 2.08 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 113.649 -1.614 . . . . 0.0 107.162 178.4 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 6' ' ' CYS . . . . . 0.494 ' HA ' ' O ' ' E' ' 9' ' ' SER . 68.7 m -108.57 -22.24 12.36 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.246 -1.343 . . . . 0.0 111.264 -179.524 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' E' E ' 7' ' ' CYS . . . . . . . . . . . . . 48.3 t -81.01 -37.87 28.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.367 0.603 . . . . 0.0 109.687 179.197 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 8' ' ' THR . . . . . 0.477 ' O ' HG11 ' J' ' 2' ' ' VAL . 4.0 p -81.03 -13.88 58.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.541 179.258 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' E' E ' 9' ' ' SER . . . . . 0.494 ' O ' ' HA ' ' E' ' 6' ' ' CYS . 12.2 p -166.22 111.02 0.81 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.085 179.423 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' E' E ' 10' ' ' ILE . . . . . 0.564 HD13 ' HA ' ' J' ' 2' ' ' VAL . 1.8 mp -48.15 125.93 2.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 O-C-N 123.729 0.643 . . . . 0.0 111.639 -178.314 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' E' E ' 11' ' ' CYS . . . . . . . . . . . . . 84.8 m -89.14 153.33 21.04 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.396 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 12' ' ' SER . . . . . . . . . . . . . 42.7 t -70.4 154.94 41.34 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.009 -0.738 . . . . 0.0 109.009 178.32 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 9.9 tt -56.2 -35.58 67.43 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.002 0.429 . . . . 0.0 110.097 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -68.22 -34.62 76.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.902 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -69.42 -42.38 75.11 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 178.568 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 16' ' ' LEU . . . . . 0.584 ' HB3' HD23 ' F' ' 15' ' ' LEU . 81.2 mt -67.32 -33.57 75.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.997 178.771 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' E' E ' 17' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -62.43 -22.83 66.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.098 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 18' ' ' ASN . . . . . . . . . . . . . 29.8 m120 -66.59 -19.43 65.77 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.972 0.415 . . . . 0.0 110.691 179.263 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 19' ' ' TYR . . . . . 0.441 ' CD1' HD12 ' E' ' 2' ' ' ILE . 29.8 m-85 -106.66 11.49 30.33 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.103 0.478 . . . . 0.0 110.259 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' E' E ' 20' ' ' CYS . . . . . . . . . . . . . 48.9 t -95.35 106.36 18.41 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.205 -179.588 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 21' ' ' ASN . . . . . 0.538 ' H ' ' HA ' ' F' ' 24' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--O 1.248 0.978 0 CA-C-O 117.877 -1.058 . . . . 0.0 112.299 179.013 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' F' F ' 1' ' ' PHE . . . . . . . . . . . . . 5.2 t80 . . . . . 0 N--CA 1.48 1.063 0 CA-C-O 120.822 0.344 . . . . 0.0 111.684 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' F' F ' 2' ' ' VAL . . . . . 0.642 ' O ' ' HG ' ' F' ' 6' ' ' LEU . 17.6 m -66.48 -48.55 80.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 113.32 0.859 . . . . 0.0 113.32 -177.441 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' F' F ' 3' ' ' ASN . . . . . . . . . . . . . 47.2 m-20 -65.4 -23.23 66.91 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 122.004 -0.435 . . . . 0.0 110.665 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 4' ' ' GLN . . . . . 0.531 ' HG3' HG11 ' E' ' 3' ' ' VAL . 37.9 tt0 -64.62 -36.14 83.28 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.212 0.529 . . . . 0.0 110.208 178.323 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' F' F ' 5' ' ' HIS . . . . . . . . . . . . . 69.9 t60 -89.76 -22.07 22.34 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.326 -179.655 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 6' ' ' LEU . . . . . 0.642 ' HG ' ' O ' ' F' ' 2' ' ' VAL . 22.9 mt -96.59 -70.96 0.7 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.321 0.581 . . . . 0.0 110.717 -179.733 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' F' F ' 7' ' ' CYS . . . . . . . . . . . . . 29.1 t -60.82 -35.39 76.38 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.13 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.94 -30.87 63.93 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 121.375 -0.441 . . . . 0.0 112.913 179.687 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 9' ' ' SER . . . . . 0.465 ' HB3' ' HG2' ' H' ' 13' ' ' GLU . 15.3 m -72.18 -3.77 25.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.591 0.234 . . . . 0.0 111.582 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' F' F ' 10' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 -116.33 -11.22 11.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.892 0.377 . . . . 0.0 111.221 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 11' ' ' LEU . . . . . 0.529 HD12 ' HA ' ' E' ' 3' ' ' VAL . 44.6 mt -70.06 -23.39 63.08 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 178.239 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' F' F ' 12' ' ' VAL . . . . . 0.893 HG21 HG21 ' H' ' 12' ' ' VAL . 3.5 m -64.7 -38.0 81.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 114.805 -1.089 . . . . 0.0 111.075 178.705 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' F' F ' 13' ' ' GLU . . . . . 0.457 ' O ' ' HG ' ' F' ' 17' ' ' LEU . 29.2 mt-10 -61.4 -38.16 86.06 Favored 'General case' 0 CA--C 1.52 -0.204 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 179.784 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' F' F ' 14' ' ' ALA . . . . . 0.41 ' O ' HG23 ' F' ' 18' ' ' VAL . . . -62.86 -46.53 87.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.039 178.591 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' F' F ' 15' ' ' LEU . . . . . 0.584 HD23 ' HB3' ' E' ' 16' ' ' LEU . 56.3 mt -65.08 -44.74 87.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.684 0.754 . . . . 0.0 109.952 178.757 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' F' F ' 16' ' ' TYR . . . . . 0.444 ' HB2' ' O ' ' F' ' 12' ' ' VAL . 0.7 OUTLIER -53.75 -46.12 70.8 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.369 -1.287 . . . . 0.0 111.874 -179.105 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' F' F ' 17' ' ' LEU . . . . . 0.747 HD12 HD12 ' L' ' 17' ' ' LEU . 79.3 mt -67.8 -33.31 74.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.971 -179.589 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' F' F ' 18' ' ' VAL . . . . . 0.41 HG23 ' O ' ' F' ' 14' ' ' ALA . 73.6 t -70.72 -45.53 73.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 121.053 0.454 . . . . 0.0 110.068 178.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' F' F ' 19' ' ' CYS . . . . . 0.896 ' HB3' ' HB3' ' F' ' 22' ' ' ARG . 75.7 m -66.81 -52.92 38.21 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.011 -179.581 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' F' F ' 20' ' ' GLY . . . . . 0.468 ' O ' ' HB2' ' F' ' 21' ' ' GLU . . . 68.64 85.38 0.11 Allowed Glycine 0 CA--C 1.52 0.355 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.022 -179.746 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' F' F ' 21' ' ' GLU . . . . . 0.468 ' HB2' ' O ' ' F' ' 20' ' ' GLY . 42.1 mt-10 76.39 -25.83 0.2 Allowed 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.588 0.755 . . . . 0.0 111.071 -178.809 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' F' F ' 22' ' ' ARG . . . . . 0.896 ' HB3' ' HB3' ' F' ' 19' ' ' CYS . 54.2 ttt180 -69.94 126.32 29.36 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 178.749 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' F' F ' 23' ' ' GLY . . . . . 0.772 ' HA3' ' HA ' ' H' ' 27' ' ' THR . . . -72.59 149.86 44.07 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.133 -1.032 . . . . 0.0 111.833 -179.587 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' F' F ' 24' ' ' PHE . . . . . 0.538 ' HA ' ' H ' ' E' ' 21' ' ' ASN . 4.0 p90 -123.49 166.86 14.68 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.005 0.431 . . . . 0.0 110.442 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' F' F ' 25' ' ' PHE . . . . . 0.416 ' CZ ' ' HA ' ' E' ' 19' ' ' TYR . 37.5 p90 -115.76 128.29 55.75 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 178.537 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' F' F ' 26' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -126.26 92.32 3.55 Favored 'General case' 0 C--N 1.318 -0.798 0 C-N-CA 120.298 -0.561 . . . . 0.0 110.844 -178.148 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 27' ' ' THR . . . . . 0.783 ' HA ' ' HA3' ' H' ' 23' ' ' GLY . 19.8 m -125.52 106.31 27.06 Favored Pre-proline 0 C--N 1.317 -0.833 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.515 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' F' F ' 28' ' ' PRO . . . . . 0.438 ' HB3' HG21 ' E' ' 3' ' ' VAL . 6.5 Cg_exo -74.06 44.76 1.04 Allowed 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 123.504 2.802 . . . . 0.0 111.567 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' F' F ' 29' ' ' LYS . . . . . 0.484 ' HB2' HG22 ' F' ' 27' ' ' THR . 28.1 tttp -109.9 3.54 20.68 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.166 -179.002 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' F' F ' 30' ' ' THR . . . . . . . . . . . . . 33.0 m . . . . . 0 C--O 1.247 0.937 0 CA-C-O 118.148 -0.93 . . . . 0.0 108.923 179.722 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' G' G ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.581 0 CA-C-O 119.96 -0.355 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' G' G ' 2' ' ' ILE . . . . . 0.726 HG23 ' H ' ' G' ' 3' ' ' VAL . 14.8 tt 43.1 -80.32 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 N-CA-C 114.376 1.25 . . . . 0.0 114.376 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' G' G ' 3' ' ' VAL . . . . . 0.726 ' H ' HG23 ' G' ' 2' ' ' ILE . 5.9 t -51.48 -77.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-O 121.311 0.577 . . . . 0.0 111.697 -179.243 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' G' G ' 4' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -83.45 45.56 1.06 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 122.043 0.925 . . . . 0.0 110.486 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' G' G ' 5' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -130.69 -31.81 1.74 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 113.681 -1.599 . . . . 0.0 107.324 178.566 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' G' G ' 6' ' ' CYS . . . . . 0.477 ' HA ' ' O ' ' G' ' 9' ' ' SER . 72.2 m -108.76 -22.32 12.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 114.238 -1.346 . . . . 0.0 111.038 -179.578 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' G' G ' 7' ' ' CYS . . . . . . . . . . . . . 48.9 t -81.24 -37.41 28.63 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.218 0.532 . . . . 0.0 109.684 179.221 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' G' G ' 8' ' ' THR . . . . . 0.488 ' O ' HG11 ' D' ' 2' ' ' VAL . 3.3 p -81.29 -13.85 58.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.516 179.321 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' G' G ' 9' ' ' SER . . . . . 0.477 ' O ' ' HA ' ' G' ' 6' ' ' CYS . 10.8 p -166.37 110.72 0.79 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.216 -0.902 . . . . 0.0 109.002 179.574 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' G' G ' 10' ' ' ILE . . . . . 0.593 HD13 ' HA ' ' D' ' 2' ' ' VAL . 1.8 mp -48.03 124.49 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 O-C-N 123.608 0.567 . . . . 0.0 111.902 -178.086 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' G' G ' 11' ' ' CYS . . . . . . . . . . . . . 87.1 m -87.14 154.13 20.98 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.586 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' G' G ' 12' ' ' SER . . . . . . . . . . . . . 41.6 t -71.71 155.14 40.81 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 178.333 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' G' G ' 13' ' ' LEU . . . . . . . . . . . . . 9.9 tt -56.54 -34.7 67.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.014 0.435 . . . . 0.0 110.356 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -69.12 -33.25 73.17 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.809 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -70.52 -42.93 70.6 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 178.508 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' G' G ' 16' ' ' LEU . . . . . 0.586 ' HB3' HD23 ' H' ' 15' ' ' LEU . 81.2 mt -67.02 -32.76 74.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.115 178.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' G' G ' 17' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -62.93 -23.58 67.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.993 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' G' G ' 18' ' ' ASN . . . . . . . . . . . . . 29.2 m120 -65.39 -21.82 66.72 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.874 0.369 . . . . 0.0 110.684 179.284 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' G' G ' 19' ' ' TYR . . . . . 0.455 ' CD1' HD12 ' G' ' 2' ' ' ILE . 33.2 m-85 -104.76 11.89 33.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.481 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' G' G ' 20' ' ' CYS . . . . . . . . . . . . . 48.8 t -95.61 106.14 18.2 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.281 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' G' G ' 21' ' ' ASN . . . . . 0.533 ' H ' ' HA ' ' H' ' 24' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.065 0 CA-C-O 117.9 -1.048 . . . . 0.0 112.286 179.131 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' H' H ' 1' ' ' PHE . . . . . . . . . . . . . 5.1 t80 . . . . . 0 N--CA 1.482 1.139 0 CA-C-O 120.812 0.339 . . . . 0.0 111.397 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' H' H ' 2' ' ' VAL . . . . . 0.664 ' O ' ' HG ' ' H' ' 6' ' ' LEU . 18.7 m -66.25 -48.26 81.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 -177.272 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' H' H ' 3' ' ' ASN . . . . . . . . . . . . . 50.6 m-20 -65.91 -22.65 66.51 Favored 'General case' 0 CA--C 1.516 -0.337 0 O-C-N 122.029 -0.42 . . . . 0.0 110.528 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' H' H ' 4' ' ' GLN . . . . . 0.581 ' HG3' HG11 ' G' ' 3' ' ' VAL . 38.6 tt0 -65.19 -35.25 80.48 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.176 0.512 . . . . 0.0 110.069 178.418 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' H' H ' 5' ' ' HIS . . . . . . . . . . . . . 70.2 t60 -90.55 -21.53 21.73 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.247 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' H' H ' 6' ' ' LEU . . . . . 0.664 ' HG ' ' O ' ' H' ' 2' ' ' VAL . 22.4 mt -97.41 -70.45 0.72 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.282 0.563 . . . . 0.0 110.736 -179.537 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' H' H ' 7' ' ' CYS . . . . . . . . . . . . . 30.5 t -61.15 -35.77 77.99 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.131 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' H' H ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.59 -31.4 63.51 Favored Glycine 0 C--N 1.331 0.254 0 CA-C-N 116.133 -0.485 . . . . 0.0 112.813 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' H' H ' 9' ' ' SER . . . . . 0.42 ' HB3' ' HG2' ' F' ' 13' ' ' GLU . 15.3 m -71.57 -3.82 23.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.725 0.298 . . . . 0.0 111.785 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' H' H ' 10' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 -116.55 -11.25 11.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.809 0.338 . . . . 0.0 111.154 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' H' H ' 11' ' ' LEU . . . . . 0.534 HD12 ' HA ' ' G' ' 3' ' ' VAL . 44.9 mt -69.94 -23.28 63.17 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 178.352 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' H' H ' 12' ' ' VAL . . . . . 0.893 HG21 HG21 ' F' ' 12' ' ' VAL . 3.6 m -64.99 -37.74 81.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 114.822 -1.081 . . . . 0.0 111.014 178.767 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' H' H ' 13' ' ' GLU . . . . . 0.469 ' O ' ' HG ' ' H' ' 17' ' ' LEU . 29.7 mt-10 -61.83 -37.9 86.15 Favored 'General case' 0 CA--C 1.522 -0.13 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' H' H ' 14' ' ' ALA . . . . . 0.407 ' O ' HG23 ' H' ' 18' ' ' VAL . . . -62.72 -46.66 87.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.033 178.552 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' H' H ' 15' ' ' LEU . . . . . 0.586 HD23 ' HB3' ' G' ' 16' ' ' LEU . 53.8 mt -65.0 -44.92 87.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.614 0.721 . . . . 0.0 109.971 178.719 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' H' H ' 16' ' ' TYR . . . . . 0.441 ' HB2' ' O ' ' H' ' 12' ' ' VAL . 0.7 OUTLIER -53.79 -45.78 70.84 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.47 -1.241 . . . . 0.0 111.895 -179.038 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' H' H ' 17' ' ' LEU . . . . . 0.752 HD12 HD12 ' B' ' 17' ' ' LEU . 79.4 mt -68.02 -32.8 73.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.996 -179.594 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' H' H ' 18' ' ' VAL . . . . . 0.407 HG23 ' O ' ' H' ' 14' ' ' ALA . 73.3 t -71.66 -44.39 69.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.056 0.455 . . . . 0.0 110.039 179.053 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' H' H ' 19' ' ' CYS . . . . . 0.861 ' HB3' ' HB3' ' H' ' 22' ' ' ARG . 74.7 m -68.19 -51.63 43.55 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.014 -179.595 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' H' H ' 20' ' ' GLY . . . . . 0.46 ' O ' ' HB2' ' H' ' 21' ' ' GLU . . . 67.3 86.52 0.08 OUTLIER Glycine 0 CA--C 1.52 0.358 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.052 -179.708 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' H' H ' 21' ' ' GLU . . . . . 0.46 ' HB2' ' O ' ' H' ' 20' ' ' GLY . 42.2 mt-10 75.45 -26.35 0.19 Allowed 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.623 0.769 . . . . 0.0 111.085 -178.62 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' H' H ' 22' ' ' ARG . . . . . 0.861 ' HB3' ' HB3' ' H' ' 19' ' ' CYS . 53.6 ttt180 -69.51 126.22 29.08 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 178.795 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' H' H ' 23' ' ' GLY . . . . . 0.783 ' HA3' ' HA ' ' F' ' 27' ' ' THR . . . -72.19 151.07 46.52 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.197 -1.002 . . . . 0.0 111.766 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' H' H ' 24' ' ' PHE . . . . . 0.533 ' HA ' ' H ' ' G' ' 21' ' ' ASN . 3.8 p90 -124.94 166.24 16.65 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.025 0.441 . . . . 0.0 110.325 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' H' H ' 25' ' ' PHE . . . . . 0.422 ' CZ ' ' HA ' ' G' ' 19' ' ' TYR . 37.3 p90 -115.24 128.17 55.97 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 178.532 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' H' H ' 26' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -125.88 92.18 3.54 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.854 -178.353 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' H' H ' 27' ' ' THR . . . . . 0.772 ' HA ' ' HA3' ' F' ' 23' ' ' GLY . 22.4 m -125.72 106.2 26.46 Favored Pre-proline 0 C--N 1.315 -0.908 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.505 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' H' H ' 28' ' ' PRO . . . . . 0.492 ' HB3' HG21 ' G' ' 3' ' ' VAL . 6.4 Cg_exo -74.24 46.93 1.46 Allowed 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 123.491 2.794 . . . . 0.0 111.231 179.709 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' H' H ' 29' ' ' LYS . . . . . 0.472 ' HB2' HG22 ' H' ' 27' ' ' THR . 29.4 tttp -112.29 4.63 17.83 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.04 -179.056 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' H' H ' 30' ' ' THR . . . . . . . . . . . . . 34.6 m . . . . . 0 C--O 1.246 0.905 0 CA-C-O 117.987 -1.006 . . . . 0.0 108.848 179.342 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' I' I ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.177 0 N-CA-C 111.618 -0.593 . . . . 0.0 111.618 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' I' I ' 2' ' ' ILE . . . . . 0.75 HG23 ' H ' ' I' ' 3' ' ' VAL . 14.5 tt 43.51 -79.06 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 125.059 1.344 . . . . 0.0 114.233 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' I' I ' 3' ' ' VAL . . . . . 0.75 ' H ' HG23 ' I' ' 2' ' ' ILE . 5.0 t -52.85 -78.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.3 0 CA-C-O 120.977 0.417 . . . . 0.0 111.729 -179.497 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' I' I ' 4' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -83.02 45.94 1.06 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 122.377 1.085 . . . . 0.0 110.718 179.643 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' I' I ' 5' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -130.05 -32.2 1.85 Allowed 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 113.462 -1.699 . . . . 0.0 107.332 178.325 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' I' I ' 6' ' ' CYS . . . . . 0.487 ' HA ' ' O ' ' I' ' 9' ' ' SER . 69.0 m -108.14 -23.17 12.08 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 114.339 -1.3 . . . . 0.0 111.074 -179.802 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' I' I ' 7' ' ' CYS . . . . . . . . . . . . . 47.1 t -80.27 -38.23 31.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.304 0.574 . . . . 0.0 109.749 179.277 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' I' I ' 8' ' ' THR . . . . . 0.479 ' O ' HG11 ' B' ' 2' ' ' VAL . 3.6 p -81.01 -13.12 59.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.623 179.461 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' I' I ' 9' ' ' SER . . . . . 0.487 ' O ' ' HA ' ' I' ' 6' ' ' CYS . 10.2 p -166.87 110.93 0.74 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.26 -0.882 . . . . 0.0 108.92 179.604 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' I' I ' 10' ' ' ILE . . . . . 0.598 HD13 ' HA ' ' B' ' 2' ' ' VAL . 1.8 mp -48.45 125.01 2.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.249 0.547 . . . . 0.0 111.749 -178.182 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' I' I ' 11' ' ' CYS . . . . . . . . . . . . . 85.2 m -87.57 153.13 21.64 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.218 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' I' I ' 12' ' ' SER . . . . . . . . . . . . . 44.4 t -70.86 155.85 40.3 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 178.142 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' I' I ' 13' ' ' LEU . . . . . . . . . . . . . 9.9 tt -56.63 -35.96 68.93 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.025 0.441 . . . . 0.0 110.242 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -67.89 -33.13 74.13 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.989 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -70.83 -42.11 70.62 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 178.494 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' I' I ' 16' ' ' LEU . . . . . 0.581 ' HB3' HD23 ' J' ' 15' ' ' LEU . 80.4 mt -67.51 -33.93 76.08 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.02 178.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' I' I ' 17' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -61.87 -23.27 66.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.192 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' I' I ' 18' ' ' ASN . . . . . . . . . . . . . 30.0 m120 -65.83 -21.29 66.47 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.952 0.406 . . . . 0.0 110.679 179.241 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' I' I ' 19' ' ' TYR . . . . . 0.473 ' CD1' HD12 ' I' ' 2' ' ' ILE . 30.3 m-85 -105.7 12.45 31.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.402 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' I' I ' 20' ' ' CYS . . . . . . . . . . . . . 48.7 t -95.7 106.54 18.66 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.893 -179.581 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' I' I ' 21' ' ' ASN . . . . . 0.528 ' H ' ' HA ' ' J' ' 24' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--O 1.248 1.002 0 CA-C-O 117.957 -1.02 . . . . 0.0 112.567 179.313 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' J' J ' 1' ' ' PHE . . . . . . . . . . . . . 5.2 t80 . . . . . 0 N--CA 1.481 1.112 0 CA-C-O 120.814 0.34 . . . . 0.0 111.593 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' J' J ' 2' ' ' VAL . . . . . 0.65 ' O ' ' HG ' ' J' ' 6' ' ' LEU . 17.0 m -66.84 -48.87 78.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 113.164 0.802 . . . . 0.0 113.164 -177.372 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' J' J ' 3' ' ' ASN . . . . . . . . . . . . . 50.0 m-20 -65.0 -23.51 67.24 Favored 'General case' 0 C--N 1.328 -0.341 0 O-C-N 122.033 -0.417 . . . . 0.0 110.562 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' J' J ' 4' ' ' GLN . . . . . 0.57 ' HG3' HG11 ' I' ' 3' ' ' VAL . 37.5 tt0 -64.38 -36.07 82.95 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.213 0.53 . . . . 0.0 110.223 178.33 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' J' J ' 5' ' ' HIS . . . . . . . . . . . . . 69.4 t60 -89.76 -22.18 22.29 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.376 -179.638 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' J' J ' 6' ' ' LEU . . . . . 0.65 ' HG ' ' O ' ' J' ' 2' ' ' VAL . 21.9 mt -96.72 -70.5 0.71 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.386 0.612 . . . . 0.0 110.816 -179.582 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' J' J ' 7' ' ' CYS . . . . . . . . . . . . . 31.5 t -61.15 -35.59 77.52 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.069 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' J' J ' 8' ' ' GLY . . . . . . . . . . . . . . . -58.25 -30.39 64.25 Favored Glycine 0 N--CA 1.453 -0.217 0 CA-C-N 116.055 -0.52 . . . . 0.0 112.949 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' J' J ' 9' ' ' SER . . . . . 0.429 ' HB3' ' HG2' ' L' ' 13' ' ' GLU . 15.1 m -72.73 -2.87 22.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.705 0.288 . . . . 0.0 111.511 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' J' J ' 10' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -117.14 -11.0 10.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.809 0.338 . . . . 0.0 111.32 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' J' J ' 11' ' ' LEU . . . . . 0.496 HD12 ' HA ' ' I' ' 3' ' ' VAL . 45.5 mt -70.3 -23.78 62.91 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 178.044 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' J' J ' 12' ' ' VAL . . . . . 0.912 HG21 HG21 ' L' ' 12' ' ' VAL . 3.5 m -64.22 -37.75 80.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 114.842 -1.072 . . . . 0.0 111.082 178.707 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' J' J ' 13' ' ' GLU . . . . . 0.48 ' O ' ' HG ' ' J' ' 17' ' ' LEU . 29.2 mt-10 -61.85 -37.76 85.68 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-O 121.239 0.542 . . . . 0.0 109.54 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' J' J ' 14' ' ' ALA . . . . . 0.424 ' O ' HG23 ' J' ' 18' ' ' VAL . . . -63.19 -46.57 86.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.327 -0.852 . . . . 0.0 110.037 178.637 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' J' J ' 15' ' ' LEU . . . . . 0.581 HD23 ' HB3' ' I' ' 16' ' ' LEU . 53.5 mt -64.94 -44.56 89.07 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.557 0.694 . . . . 0.0 109.986 178.73 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' J' J ' 16' ' ' TYR . . . . . 0.444 ' HB2' ' O ' ' J' ' 12' ' ' VAL . 0.8 OUTLIER -53.99 -45.71 71.51 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.513 -1.221 . . . . 0.0 112.076 -178.962 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' J' J ' 17' ' ' LEU . . . . . 0.726 HD12 HD12 ' D' ' 17' ' ' LEU . 74.8 mt -68.47 -31.97 71.64 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.056 -179.627 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' J' J ' 18' ' ' VAL . . . . . 0.424 HG23 ' O ' ' J' ' 14' ' ' ALA . 73.7 t -72.39 -43.93 63.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.211 0.529 . . . . 0.0 109.944 178.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' J' J ' 19' ' ' CYS . . . . . 0.853 ' HB3' ' HB3' ' J' ' 22' ' ' ARG . 78.2 m -68.35 -51.53 43.3 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.896 -179.587 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' J' J ' 20' ' ' GLY . . . . . 0.468 ' O ' ' HB2' ' J' ' 21' ' ' GLU . . . 67.3 86.15 0.09 OUTLIER Glycine 0 CA--C 1.518 0.245 0 C-N-CA 120.831 -0.7 . . . . 0.0 111.958 -179.74 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' J' J ' 21' ' ' GLU . . . . . 0.468 ' HB2' ' O ' ' J' ' 20' ' ' GLY . 44.2 mt-10 75.84 -27.45 0.18 Allowed 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.493 0.717 . . . . 0.0 111.069 -178.56 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' J' J ' 22' ' ' ARG . . . . . 0.853 ' HB3' ' HB3' ' J' ' 19' ' ' CYS . 52.9 ttt180 -68.57 125.86 27.84 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 178.739 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' J' J ' 23' ' ' GLY . . . . . 0.764 ' HA3' ' HA ' ' L' ' 27' ' ' THR . . . -72.08 150.58 46.0 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.186 -1.006 . . . . 0.0 111.821 -179.62 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' J' J ' 24' ' ' PHE . . . . . 0.528 ' HA ' ' H ' ' I' ' 21' ' ' ASN . 4.1 p90 -124.17 166.5 15.72 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.943 0.402 . . . . 0.0 110.483 179.789 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' J' J ' 25' ' ' PHE . . . . . 0.424 ' CZ ' ' HA ' ' I' ' 19' ' ' TYR . 37.5 p90 -115.62 127.47 55.23 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 178.536 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' J' J ' 26' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -125.57 93.33 3.82 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.158 0.504 . . . . 0.0 110.802 -178.47 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' J' J ' 27' ' ' THR . . . . . 0.769 ' HA ' ' HA3' ' L' ' 23' ' ' GLY . 19.8 m -126.25 105.48 24.92 Favored Pre-proline 0 C--N 1.316 -0.86 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.55 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' J' J ' 28' ' ' PRO . . . . . 0.451 ' HB3' HG21 ' I' ' 3' ' ' VAL . 6.2 Cg_exo -74.07 48.34 1.71 Allowed 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 123.405 2.737 . . . . 0.0 111.165 179.445 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' J' J ' 29' ' ' LYS . . . . . 0.482 ' HB2' HG22 ' J' ' 27' ' ' THR . 28.5 tttp -113.08 2.21 15.61 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.821 -179.183 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' J' J ' 30' ' ' THR . . . . . . . . . . . . . 36.9 m . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.175 -0.917 . . . . 0.0 109.137 179.78 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.143 0 N-CA-C 111.136 -0.785 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' K' K ' 2' ' ' ILE . . . . . 0.755 HG23 ' H ' ' K' ' 3' ' ' VAL . 14.0 tt 41.24 -79.29 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 125.45 1.5 . . . . 0.0 114.082 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' K' K ' 3' ' ' VAL . . . . . 0.755 ' H ' HG23 ' K' ' 2' ' ' ILE . 5.5 t -52.57 -78.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.142 0.496 . . . . 0.0 111.822 -179.554 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' K' K ' 4' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -83.27 45.12 1.0 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 122.165 0.983 . . . . 0.0 110.668 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' K' K ' 5' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -128.96 -32.56 2.06 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 113.561 -1.654 . . . . 0.0 107.095 178.507 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' K' K ' 6' ' ' CYS . . . . . 0.493 ' HA ' ' O ' ' K' ' 9' ' ' SER . 65.4 m -108.45 -21.56 12.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.255 -1.339 . . . . 0.0 111.244 -179.589 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' K' K ' 7' ' ' CYS . . . . . . . . . . . . . 50.0 t -81.79 -36.53 28.32 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.403 0.621 . . . . 0.0 109.683 179.173 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' K' K ' 8' ' ' THR . . . . . 0.468 ' O ' HG11 ' H' ' 2' ' ' VAL . 4.4 p -82.27 -13.51 56.9 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.364 179.364 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' K' K ' 9' ' ' SER . . . . . 0.493 ' O ' ' HA ' ' K' ' 6' ' ' CYS . 11.0 p -166.39 110.69 0.78 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.096 -0.956 . . . . 0.0 108.906 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' K' K ' 10' ' ' ILE . . . . . 0.583 HD13 ' HA ' ' H' ' 2' ' ' VAL . 1.8 mp -48.02 126.04 2.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.396 0.617 . . . . 0.0 111.421 -178.319 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' K' K ' 11' ' ' CYS . . . . . . . . . . . . . 85.4 m -89.3 152.99 21.24 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.221 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' K' K ' 12' ' ' SER . . . . . . . . . . . . . 42.7 t -70.41 155.22 40.98 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 178.438 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' K' K ' 13' ' ' LEU . . . . . . . . . . . . . 9.9 tt -56.38 -35.91 68.25 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.925 0.393 . . . . 0.0 110.276 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -67.96 -34.41 76.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.84 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -68.93 -43.21 75.57 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 178.394 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' K' K ' 16' ' ' LEU . . . . . 0.606 ' HB3' HD23 ' L' ' 15' ' ' LEU . 82.7 mt -66.76 -33.3 75.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.065 178.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' K' K ' 17' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -62.52 -23.14 66.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.152 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' K' K ' 18' ' ' ASN . . . . . . . . . . . . . 30.4 m120 -65.72 -21.9 66.56 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.006 0.431 . . . . 0.0 110.499 179.299 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' K' K ' 19' ' ' TYR . . . . . 0.46 ' CD1' HD12 ' K' ' 2' ' ' ILE . 26.9 m-85 -104.79 12.36 32.77 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.446 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' K' K ' 20' ' ' CYS . . . . . . . . . . . . . 48.5 t -95.96 106.04 18.15 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.24 -179.676 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' K' K ' 21' ' ' ASN . . . . . 0.52 ' H ' ' HA ' ' L' ' 24' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--O 1.247 0.956 0 CA-C-O 117.974 -1.013 . . . . 0.0 112.427 179.167 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' L' L ' 1' ' ' PHE . . . . . . . . . . . . . 5.6 t80 . . . . . 0 N--CA 1.48 1.072 0 CA-C-O 120.771 0.319 . . . . 0.0 111.309 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' L' L ' 2' ' ' VAL . . . . . 0.67 ' O ' ' HG ' ' L' ' 6' ' ' LEU . 18.1 m -66.27 -48.51 80.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 -177.497 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' L' L ' 3' ' ' ASN . . . . . . . . . . . . . 38.2 m-20 -66.07 -22.62 66.43 Favored 'General case' 0 C--O 1.223 -0.292 0 O-C-N 122.046 -0.409 . . . . 0.0 110.57 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' L' L ' 4' ' ' GLN . . . . . 0.57 ' HG3' HG11 ' K' ' 3' ' ' VAL . 37.5 tt0 -65.36 -35.06 79.84 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.232 0.539 . . . . 0.0 110.073 178.417 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' L' L ' 5' ' ' HIS . . . . . . . . . . . . . 70.3 t60 -90.55 -21.82 21.59 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.314 -179.531 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' L' L ' 6' ' ' LEU . . . . . 0.67 ' HG ' ' O ' ' L' ' 2' ' ' VAL . 22.4 mt -96.72 -70.95 0.7 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.325 0.583 . . . . 0.0 110.669 -179.75 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' L' L ' 7' ' ' CYS . . . . . . . . . . . . . 33.3 t -60.88 -35.57 76.96 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.16 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' L' L ' 8' ' ' GLY . . . . . . . . . . . . . . . -58.22 -30.66 64.54 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 121.149 -0.548 . . . . 0.0 112.822 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' L' L ' 9' ' ' SER . . . . . 0.435 ' HB3' ' HG2' ' J' ' 13' ' ' GLU . 15.3 m -72.02 -3.79 24.92 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.683 0.278 . . . . 0.0 111.582 179.824 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' L' L ' 10' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 -116.32 -11.39 11.24 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 120.87 0.367 . . . . 0.0 111.291 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' L' L ' 11' ' ' LEU . . . . . 0.52 HD12 ' HA ' ' K' ' 3' ' ' VAL . 46.6 mt -70.02 -23.26 63.1 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 178.3 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' L' L ' 12' ' ' VAL . . . . . 0.912 HG21 HG21 ' J' ' 12' ' ' VAL . 3.4 m -64.71 -37.72 80.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 114.851 -1.068 . . . . 0.0 110.988 178.856 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' L' L ' 13' ' ' GLU . . . . . 0.464 ' O ' ' HG ' ' L' ' 17' ' ' LEU . 29.3 mt-10 -61.93 -37.72 85.74 Favored 'General case' 0 CA--C 1.52 -0.195 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 179.693 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' L' L ' 14' ' ' ALA . . . . . 0.409 ' O ' HG23 ' L' ' 18' ' ' VAL . . . -63.01 -46.66 86.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.021 178.54 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' L' L ' 15' ' ' LEU . . . . . 0.606 HD23 ' HB3' ' K' ' 16' ' ' LEU . 51.1 mt -65.12 -44.65 88.02 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.596 0.712 . . . . 0.0 110.056 178.771 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' L' L ' 16' ' ' TYR . . . . . 0.426 ' HB2' ' O ' ' L' ' 12' ' ' VAL . 0.7 OUTLIER -53.91 -45.61 71.21 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.476 -1.238 . . . . 0.0 112.02 -179.139 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' L' L ' 17' ' ' LEU . . . . . 0.747 HD12 HD12 ' F' ' 17' ' ' LEU . 78.9 mt -67.9 -33.49 74.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.939 -179.539 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' L' L ' 18' ' ' VAL . . . . . 0.409 HG23 ' O ' ' L' ' 14' ' ' ALA . 79.4 t -70.99 -45.64 71.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.117 0.484 . . . . 0.0 109.966 178.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' L' L ' 19' ' ' CYS . . . . . 0.861 ' HB3' ' HB3' ' L' ' 22' ' ' ARG . 77.2 m -66.59 -52.62 43.41 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.88 -179.687 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' L' L ' 20' ' ' GLY . . . . . 0.486 ' O ' ' HB2' ' L' ' 21' ' ' GLU . . . 68.53 85.12 0.11 Allowed Glycine 0 C--N 1.333 0.374 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.164 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' L' L ' 21' ' ' GLU . . . . . 0.486 ' HB2' ' O ' ' L' ' 20' ' ' GLY . 41.4 mt-10 76.29 -26.32 0.19 Allowed 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.519 0.728 . . . . 0.0 111.151 -178.602 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' L' L ' 22' ' ' ARG . . . . . 0.861 ' HB3' ' HB3' ' L' ' 19' ' ' CYS . 54.3 ttt180 -69.53 126.5 29.95 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 178.71 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' L' L ' 23' ' ' GLY . . . . . 0.769 ' HA3' ' HA ' ' J' ' 27' ' ' THR . . . -72.62 151.17 45.94 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 119.958 -1.115 . . . . 0.0 111.844 -179.485 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' L' L ' 24' ' ' PHE . . . . . 0.52 ' HA ' ' H ' ' K' ' 21' ' ' ASN . 3.7 p90 -124.69 166.09 16.77 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 120.826 0.346 . . . . 0.0 110.543 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' L' L ' 25' ' ' PHE . . . . . 0.437 ' CZ ' ' HA ' ' K' ' 19' ' ' TYR . 37.5 p90 -114.9 128.62 56.4 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 178.442 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' L' L ' 26' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -126.44 93.2 3.73 Favored 'General case' 0 C--N 1.317 -0.81 0 C-N-CA 120.321 -0.552 . . . . 0.0 110.747 -178.297 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' L' L ' 27' ' ' THR . . . . . 0.764 ' HA ' ' HA3' ' J' ' 23' ' ' GLY . 18.8 m -126.5 106.41 23.83 Favored Pre-proline 0 C--N 1.317 -0.843 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.544 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' L' L ' 28' ' ' PRO . . . . . 0.45 ' HB3' HG21 ' K' ' 3' ' ' VAL . 5.9 Cg_exo -74.13 45.73 1.22 Allowed 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 123.531 2.82 . . . . 0.0 111.441 179.557 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' L' L ' 29' ' ' LYS . . . . . 0.49 ' HB2' HG22 ' L' ' 27' ' ' THR . 28.7 tttp . . . . . 0 C--N 1.324 -0.523 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.935 -179.02 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.257 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 11.5 tt -81.78 -36.49 14.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-O 120.698 0.285 . . . . 0.0 111.259 -178.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.505 HG11 ' HG3' ' B' ' 4' ' ' GLN . 96.3 t -61.77 -59.84 3.66 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 CA-C-O 120.884 0.373 . . . . 0.0 110.637 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -79.44 61.58 3.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.427 0.632 . . . . 0.0 110.757 179.416 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.442 ' HG2' ' SG ' ' A' ' 11' ' ' CYS . 32.2 tt0 -172.34 -43.73 0.02 OUTLIER 'General case' 0 C--N 1.312 -1.035 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 95.4 m -89.14 -39.55 13.51 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.745 -1.116 . . . . 0.0 111.226 179.713 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 79.8 m -91.45 18.28 7.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.25 0.548 . . . . 0.0 109.891 178.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.2 m -104.83 -45.21 4.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.44 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.2 p -156.83 21.86 0.32 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.663 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.416 HD11 ' HA ' ' F' ' 2' ' ' VAL . 2.3 mp 70.34 125.29 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 CA-C-N 115.476 -0.783 . . . . 0.0 111.617 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.442 ' SG ' ' HG2' ' A' ' 5' ' ' GLN . 85.9 m -81.51 145.17 30.84 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.137 179.787 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.42 ' HB2' ' HG3' ' A' ' 15' ' ' GLN . 17.3 m -73.99 152.15 40.12 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 178.387 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.92 HD11 HD11 ' G' ' 13' ' ' LEU . 7.3 tt -52.73 -48.15 66.89 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -178.361 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -65.65 -22.91 66.69 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -178.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.42 ' HG3' ' HB2' ' A' ' 12' ' ' SER . 85.5 mt-30 -75.54 -27.99 58.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.182 0.515 . . . . 0.0 110.047 178.752 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.7 ' HB3' HD23 ' B' ' 15' ' ' LEU . 86.1 mt -78.23 -23.94 47.19 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.34 -179.646 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -61.8 -21.93 65.02 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.832 -179.554 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 -81.83 -4.89 57.56 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.319 -179.157 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 18.0 m-30 -105.07 13.79 30.28 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.94 0.4 . . . . 0.0 111.365 -178.413 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 72.7 m -84.89 154.18 22.4 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.778 179.447 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 . . . . . 0 C--O 1.252 1.197 0 CA-C-O 118.317 -0.849 . . . . 0.0 109.438 179.58 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 26.6 t80 . . . . . 0 N--CA 1.481 1.119 0 CA-C-O 120.557 0.218 . . . . 0.0 111.077 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 2' ' ' VAL . . . . . 0.511 ' O ' ' HG ' ' B' ' 6' ' ' LEU . 16.8 m -68.93 -31.81 52.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -178.412 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 3' ' ' ASN . . . . . 0.419 ' HA ' ' HB2' ' B' ' 6' ' ' LEU . 9.5 m-20 -62.97 -19.32 64.2 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-O 121.113 0.483 . . . . 0.0 110.911 179.761 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 4' ' ' GLN . . . . . 0.505 ' HG3' HG11 ' A' ' 3' ' ' VAL . 66.0 tt0 -68.2 -17.17 64.25 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.254 0.549 . . . . 0.0 109.952 178.609 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -118.67 11.5 12.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.387 0.613 . . . . 0.0 109.515 179.243 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' B' ' 2' ' ' VAL . 55.3 mt -126.23 -64.48 1.04 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.446 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 7' ' ' CYS . . . . . 0.455 ' HB2' HD13 ' F' ' 6' ' ' LEU . 2.8 t -62.45 -46.45 88.47 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.719 -1.128 . . . . 0.0 109.381 178.435 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 8' ' ' GLY . . . . . 0.647 ' HA2' ' HG ' ' B' ' 11' ' ' LEU . . . -58.89 -30.2 65.99 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.297 178.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 9' ' ' SER . . . . . 0.69 ' HB3' ' HG2' ' D' ' 13' ' ' GLU . 7.7 m -71.5 -1.1 12.15 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.755 0.312 . . . . 0.0 111.365 179.656 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 70.2 m-70 -120.56 -11.21 9.11 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-O 120.803 0.335 . . . . 0.0 111.25 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.647 ' HG ' ' HA2' ' B' ' 8' ' ' GLY . 13.9 mt -69.71 -21.82 63.45 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 176.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.46 HG21 HG21 ' D' ' 12' ' ' VAL . 11.2 m -67.94 -46.33 82.16 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 CA-C-N 114.654 -1.157 . . . . 0.0 111.561 179.308 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.706 ' HG2' ' HB3' ' D' ' 9' ' ' SER . 18.9 mt-10 -63.1 -29.54 70.88 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 108.92 -0.771 . . . . 0.0 108.92 178.842 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 14' ' ' ALA . . . . . 0.428 ' HB1' ' HG ' ' H' ' 17' ' ' LEU . . . -69.39 -52.83 23.26 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.463 177.333 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.7 HD23 ' HB3' ' A' ' 16' ' ' LEU . 91.2 mt -58.05 -39.2 77.84 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.986 178.553 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 16' ' ' TYR . . . . . 0.474 ' CD2' ' HE2' ' B' ' 24' ' ' PHE . 0.4 OUTLIER -54.87 -37.85 66.77 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.937 -1.029 . . . . 0.0 110.745 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.437 ' HG ' ' HB1' ' H' ' 14' ' ' ALA . 4.0 mm? -80.84 -43.55 19.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.646 179.307 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.41 HG23 ' O ' ' B' ' 14' ' ' ALA . 88.8 t -59.06 -48.34 87.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.522 179.629 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 19' ' ' CYS . . . . . 0.622 ' HB3' ' HB2' ' B' ' 22' ' ' ARG . 66.6 m -72.22 -28.36 63.12 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.877 178.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.96 -98.34 0.29 Allowed Glycine 0 N--CA 1.452 -0.297 0 CA-C-N 115.718 -0.674 . . . . 0.0 113.951 178.457 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -93.34 5.64 50.86 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.257 0.551 . . . . 0.0 110.761 -178.722 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 22' ' ' ARG . . . . . 0.622 ' HB2' ' HB3' ' B' ' 19' ' ' CYS . 47.4 mtt85 -103.4 174.38 5.89 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.097 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 23' ' ' GLY . . . . . 0.745 ' HA2' ' HD2' ' D' ' 28' ' ' PRO . . . -99.61 -171.84 30.53 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.382 -0.914 . . . . 0.0 111.22 178.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 24' ' ' PHE . . . . . 0.474 ' HE2' ' CD2' ' B' ' 16' ' ' TYR . 5.0 p90 -156.65 149.23 23.54 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.217 0.532 . . . . 0.0 110.252 178.731 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 8.1 p90 -114.92 116.71 28.95 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 179.206 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -105.11 120.77 42.32 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.222 -179.159 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 3.0 p -123.68 88.89 51.74 Favored Pre-proline 0 C--N 1.32 -0.684 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -178.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 28' ' ' PRO . . . . . 0.722 ' HD2' ' HA2' ' D' ' 23' ' ' GLY . 86.5 Cg_endo -83.07 13.32 2.68 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 122.906 2.404 . . . . 0.0 109.829 177.363 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 69.8 tttt -110.74 128.9 55.91 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 114.028 -1.442 . . . . 0.0 109.339 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 11.4 t . . . . . 0 C--O 1.245 0.862 0 CA-C-O 118.628 -0.701 . . . . 0.0 109.831 179.891 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.828 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 12.4 tt -82.96 -35.81 12.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 120.925 0.393 . . . . 0.0 111.224 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 3' ' ' VAL . . . . . 0.521 HG11 ' HG3' ' D' ' 4' ' ' GLN . 93.5 t -62.65 -59.91 3.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.753 0.311 . . . . 0.0 110.778 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -79.19 61.05 3.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.6 0.714 . . . . 0.0 111.124 179.472 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 5' ' ' GLN . . . . . 0.458 ' HG2' ' SG ' ' C' ' 11' ' ' CYS . 32.3 tt0 -171.54 -44.27 0.02 OUTLIER 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 114.337 -1.301 . . . . 0.0 107.658 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 90.9 m -88.39 -39.64 14.14 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.573 -1.194 . . . . 0.0 111.33 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 7' ' ' CYS . . . . . . . . . . . . . 80.1 m -91.08 16.01 10.52 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.153 0.501 . . . . 0.0 110.082 178.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 23.5 m -102.08 -46.59 4.81 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.497 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 5.2 p -155.79 22.88 0.39 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.684 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 10' ' ' ILE . . . . . 0.42 HD11 ' HA ' ' L' ' 2' ' ' VAL . 2.3 mp 69.78 127.01 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 CA-C-N 115.283 -0.871 . . . . 0.0 111.384 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 11' ' ' CYS . . . . . 0.458 ' SG ' ' HG2' ' C' ' 5' ' ' GLN . 84.1 m -82.85 146.7 28.75 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.056 179.718 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 12' ' ' SER . . . . . 0.431 ' HB2' ' HG3' ' C' ' 15' ' ' GLN . 19.5 m -75.77 151.35 37.58 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 178.502 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 13' ' ' LEU . . . . . 0.937 HD11 HD11 ' I' ' 13' ' ' LEU . 7.3 tt -51.84 -48.09 64.12 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -178.333 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -65.4 -22.74 66.82 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 -179.009 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 15' ' ' GLN . . . . . 0.431 ' HG3' ' HB2' ' C' ' 12' ' ' SER . 85.3 mt-30 -75.73 -29.17 58.81 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.293 0.568 . . . . 0.0 109.976 178.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 16' ' ' LEU . . . . . 0.701 ' HB3' HD23 ' D' ' 15' ' ' LEU . 85.1 mt -76.62 -24.5 53.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.389 -179.668 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -60.99 -23.72 65.59 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 112.022 0.378 . . . . 0.0 112.022 -179.463 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 67.1 m-20 -80.61 -3.63 51.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.52 -179.206 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 18.1 m-30 -105.77 13.71 29.25 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.946 0.403 . . . . 0.0 111.062 -178.571 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 76.7 m -84.79 154.8 22.13 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.962 179.502 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.394 -0.812 . . . . 0.0 109.381 179.476 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 25.7 t80 . . . . . 0 N--CA 1.479 0.996 0 CA-C-O 120.468 0.175 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' D' D ' 2' ' ' VAL . . . . . 0.51 ' O ' ' HG ' ' D' ' 6' ' ' LEU . 16.5 m -68.76 -32.59 55.49 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 -178.675 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 3' ' ' ASN . . . . . 0.408 ' HA ' ' HB2' ' D' ' 6' ' ' LEU . 9.8 m-20 -62.43 -18.84 62.65 Favored 'General case' 0 C--O 1.223 -0.303 0 CA-C-O 120.948 0.404 . . . . 0.0 110.802 179.661 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 4' ' ' GLN . . . . . 0.521 ' HG3' HG11 ' C' ' 3' ' ' VAL . 66.2 tt0 -68.36 -17.8 64.33 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.05 0.452 . . . . 0.0 109.806 178.49 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 5' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -117.59 10.53 13.47 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.51 0.672 . . . . 0.0 109.752 179.168 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 6' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' D' ' 2' ' ' VAL . 50.6 mt -125.23 -64.14 1.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.558 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 7' ' ' CYS . . . . . 0.434 ' HB2' HD13 ' L' ' 6' ' ' LEU . 3.1 t -62.22 -46.95 86.6 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.711 -1.131 . . . . 0.0 109.289 178.521 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 8' ' ' GLY . . . . . 0.659 ' HA2' ' HG ' ' D' ' 11' ' ' LEU . . . -58.94 -29.63 65.27 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.339 179.079 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 9' ' ' SER . . . . . 0.706 ' HB3' ' HG2' ' B' ' 13' ' ' GLU . 7.4 m -71.77 -1.02 12.53 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.689 0.281 . . . . 0.0 111.259 179.609 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 10' ' ' HIS . . . . . . . . . . . . . 69.7 m-70 -120.69 -11.06 9.08 Favored 'General case' 0 CA--C 1.51 -0.562 0 CA-C-O 120.801 0.334 . . . . 0.0 111.29 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 11' ' ' LEU . . . . . 0.659 ' HG ' ' HA2' ' D' ' 8' ' ' GLY . 13.9 mt -69.42 -22.2 63.7 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 107.294 -1.373 . . . . 0.0 107.294 176.698 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 12' ' ' VAL . . . . . 0.46 HG21 HG21 ' B' ' 12' ' ' VAL . 12.0 m -67.76 -46.42 82.52 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 CA-C-N 114.707 -1.133 . . . . 0.0 111.588 179.275 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 13' ' ' GLU . . . . . 0.69 ' HG2' ' HB3' ' B' ' 9' ' ' SER . 19.0 mt-10 -62.94 -29.61 70.93 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 178.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 14' ' ' ALA . . . . . 0.418 ' O ' HG23 ' D' ' 18' ' ' VAL . . . -69.26 -52.61 25.92 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.477 177.36 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 15' ' ' LEU . . . . . 0.701 HD23 ' HB3' ' C' ' 16' ' ' LEU . 91.7 mt -58.36 -39.16 78.79 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.833 178.691 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 16' ' ' TYR . . . . . 0.498 ' CD2' ' HE2' ' D' ' 24' ' ' PHE . 0.4 OUTLIER -54.88 -37.98 66.96 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.982 -1.008 . . . . 0.0 110.741 179.833 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' D' D ' 17' ' ' LEU . . . . . 0.428 ' HG ' ' HB1' ' J' ' 14' ' ' ALA . 4.0 mm? -80.82 -43.82 19.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.525 179.128 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 18' ' ' VAL . . . . . 0.418 HG23 ' O ' ' D' ' 14' ' ' ALA . 85.2 t -58.79 -48.34 86.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.558 179.63 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 19' ' ' CYS . . . . . 0.651 ' HB3' ' HB2' ' D' ' 22' ' ' ARG . 71.4 m -72.32 -28.12 62.87 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.918 179.107 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.39 -99.21 0.31 Allowed Glycine 0 C--N 1.33 0.231 0 CA-C-N 115.492 -0.776 . . . . 0.0 113.78 178.628 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -91.56 4.26 53.04 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.293 0.568 . . . . 0.0 110.92 -178.757 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 22' ' ' ARG . . . . . 0.651 ' HB2' ' HB3' ' D' ' 19' ' ' CYS . 47.0 mtt85 -102.21 173.97 6.13 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.04 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 23' ' ' GLY . . . . . 0.722 ' HA2' ' HD2' ' B' ' 28' ' ' PRO . . . -99.97 -171.7 30.04 Favored Glycine 0 N--CA 1.443 -0.846 0 C-N-CA 120.394 -0.907 . . . . 0.0 111.102 178.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 24' ' ' PHE . . . . . 0.498 ' HE2' ' CD2' ' D' ' 16' ' ' TYR . 5.1 p90 -156.66 149.14 23.43 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.274 0.559 . . . . 0.0 110.351 178.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 25' ' ' PHE . . . . . . . . . . . . . 7.4 p90 -114.44 117.76 31.91 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 179.137 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 26' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -106.14 120.17 41.11 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.077 0.465 . . . . 0.0 110.089 -179.145 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 27' ' ' THR . . . . . . . . . . . . . 3.0 p -123.0 88.23 50.89 Favored Pre-proline 0 C--N 1.321 -0.648 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -178.716 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 28' ' ' PRO . . . . . 0.745 ' HD2' ' HA2' ' B' ' 23' ' ' GLY . 87.7 Cg_endo -82.15 11.36 3.18 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.615 2.21 . . . . 0.0 109.646 177.388 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 68.3 tttt -108.83 126.97 53.61 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.097 -1.41 . . . . 0.0 109.822 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 12.9 t . . . . . 0 C--O 1.246 0.875 0 CA-C-O 118.655 -0.688 . . . . 0.0 109.705 179.718 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.961 0 N-CA-C 111.987 -0.445 . . . . 0.0 111.987 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' E' E ' 2' ' ' ILE . . . . . . . . . . . . . 11.9 tt -81.35 -36.55 14.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-O 120.683 0.278 . . . . 0.0 111.197 -179.337 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 3' ' ' VAL . . . . . 0.522 HG11 ' HG3' ' F' ' 4' ' ' GLN . 93.9 t -61.78 -59.74 3.83 Favored 'Isoleucine or valine' 0 C--O 1.238 0.457 0 CA-C-O 120.783 0.325 . . . . 0.0 110.96 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' E' E ' 4' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -79.12 59.23 2.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.753 0.787 . . . . 0.0 111.177 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 5' ' ' GLN . . . . . 0.454 ' HG2' ' SG ' ' E' ' 11' ' ' CYS . 31.7 tt0 -170.12 -42.13 0.02 OUTLIER 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 114.432 -1.258 . . . . 0.0 107.878 179.778 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' E' E ' 6' ' ' CYS . . . . . . . . . . . . . 89.5 m -90.22 -39.89 12.52 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.649 -1.16 . . . . 0.0 110.91 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 7' ' ' CYS . . . . . . . . . . . . . 80.6 m -91.1 16.82 8.97 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.138 0.494 . . . . 0.0 110.097 178.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 25.4 m -103.55 -45.76 4.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.528 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 9' ' ' SER . . . . . . . . . . . . . 7.6 p -156.25 23.1 0.36 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.568 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 10' ' ' ILE . . . . . 0.432 HD11 ' HA ' ' J' ' 2' ' ' VAL . 2.3 mp 69.17 125.43 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.704 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' E' E ' 11' ' ' CYS . . . . . 0.454 ' SG ' ' HG2' ' E' ' 5' ' ' GLN . 84.4 m -81.29 146.02 30.62 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.95 179.588 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' E' E ' 12' ' ' SER . . . . . 0.423 ' HB2' ' HG3' ' E' ' 15' ' ' GLN . 19.7 m -75.58 150.5 38.04 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 178.383 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' E' E ' 13' ' ' LEU . . . . . 0.916 HD11 HD11 ' K' ' 13' ' ' LEU . 7.1 tt -51.0 -48.05 61.44 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -178.308 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -65.68 -22.51 66.64 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -179.044 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 15' ' ' GLN . . . . . 0.423 ' HG3' ' HB2' ' E' ' 12' ' ' SER . 85.4 mt-30 -76.03 -28.65 57.8 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 178.868 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' E' E ' 16' ' ' LEU . . . . . 0.715 ' HB3' HD23 ' F' ' 15' ' ' LEU . 86.2 mt -77.7 -24.5 49.23 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.525 -179.631 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' E' E ' 17' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -61.32 -22.4 64.86 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 111.914 0.339 . . . . 0.0 111.914 -179.462 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 18' ' ' ASN . . . . . . . . . . . . . 67.3 m-20 -81.17 -6.04 58.39 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.812 0.339 . . . . 0.0 111.265 -179.297 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 19' ' ' TYR . . . . . . . . . . . . . 17.4 m-30 -103.32 13.3 34.07 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.037 0.446 . . . . 0.0 111.435 -178.623 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 20' ' ' CYS . . . . . . . . . . . . . 76.2 m -84.4 153.41 23.44 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.752 179.465 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 21' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 . . . . . 0 C--O 1.253 1.287 0 CA-C-O 118.476 -0.773 . . . . 0.0 109.895 179.807 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' F' F ' 1' ' ' PHE . . . . . . . . . . . . . 30.5 t80 . . . . . 0 N--CA 1.481 1.092 0 CA-C-O 120.727 0.299 . . . . 0.0 111.471 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' F' F ' 2' ' ' VAL . . . . . 0.533 ' O ' ' HG ' ' F' ' 6' ' ' LEU . 15.6 m -69.2 -31.1 48.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -178.146 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' F' F ' 3' ' ' ASN . . . . . 0.42 ' HA ' ' HB2' ' F' ' 6' ' ' LEU . 10.1 m-20 -63.19 -19.1 64.2 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-O 120.994 0.426 . . . . 0.0 110.799 179.486 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' F' F ' 4' ' ' GLN . . . . . 0.522 ' HG3' HG11 ' E' ' 3' ' ' VAL . 66.1 tt0 -68.08 -17.4 64.37 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.31 0.576 . . . . 0.0 109.991 178.669 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' F' F ' 5' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -118.31 10.88 12.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.412 0.625 . . . . 0.0 109.717 179.171 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 6' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' F' ' 2' ' ' VAL . 54.0 mt -125.79 -63.68 1.11 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.673 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' F' F ' 7' ' ' CYS . . . . . 0.462 ' HB2' HD13 ' J' ' 6' ' ' LEU . 2.6 t -63.2 -46.53 86.61 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.777 -1.102 . . . . 0.0 109.157 178.428 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' F' F ' 8' ' ' GLY . . . . . 0.65 ' HA2' ' HG ' ' F' ' 11' ' ' LEU . . . -58.72 -29.77 64.81 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.653 -0.785 . . . . 0.0 112.343 178.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' F' F ' 9' ' ' SER . . . . . 0.677 ' HB3' ' HG2' ' H' ' 13' ' ' GLU . 7.4 m -71.75 -1.38 13.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.664 0.268 . . . . 0.0 111.438 179.732 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' F' F ' 10' ' ' HIS . . . . . . . . . . . . . 72.7 m-70 -120.39 -10.79 9.24 Favored 'General case' 0 CA--C 1.513 -0.472 0 CA-C-O 120.759 0.314 . . . . 0.0 111.227 179.658 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 11' ' ' LEU . . . . . 0.65 ' HG ' ' HA2' ' F' ' 8' ' ' GLY . 14.4 mt -69.74 -21.92 63.41 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 107.209 -1.404 . . . . 0.0 107.209 176.867 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' F' F ' 12' ' ' VAL . . . . . 0.45 HG21 HG21 ' H' ' 12' ' ' VAL . 11.9 m -68.0 -46.36 81.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 CA-C-N 114.546 -1.206 . . . . 0.0 111.461 179.328 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' F' F ' 13' ' ' GLU . . . . . 0.677 ' HG2' ' HB3' ' H' ' 9' ' ' SER . 18.8 mt-10 -63.21 -29.48 70.81 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 178.846 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' F' F ' 14' ' ' ALA . . . . . 0.422 ' HB1' ' HG ' ' L' ' 17' ' ' LEU . . . -69.25 -52.84 23.63 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.429 177.388 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' F' F ' 15' ' ' LEU . . . . . 0.715 HD23 ' HB3' ' E' ' 16' ' ' LEU . 91.1 mt -58.12 -39.12 77.89 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.97 178.537 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' F' F ' 16' ' ' TYR . . . . . 0.491 ' CD2' ' HE2' ' F' ' 24' ' ' PHE . 0.4 OUTLIER -54.78 -37.97 66.67 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.019 -0.991 . . . . 0.0 110.851 179.895 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' F' F ' 17' ' ' LEU . . . . . 0.415 HD13 ' HA ' ' F' ' 17' ' ' LEU . 4.0 mm? -80.72 -44.17 19.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.501 179.196 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' F' F ' 18' ' ' VAL . . . . . 0.407 HG23 ' O ' ' F' ' 14' ' ' ALA . 89.3 t -58.61 -48.15 86.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.487 179.57 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' F' F ' 19' ' ' CYS . . . . . 0.631 ' HB3' ' HB2' ' F' ' 22' ' ' ARG . 69.4 m -72.44 -28.02 62.68 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.979 179.077 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' F' F ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.39 -99.37 0.33 Allowed Glycine 0 N--CA 1.452 -0.273 0 CA-C-N 115.563 -0.744 . . . . 0.0 113.763 178.522 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 21' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -92.44 6.81 45.68 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.115 0.483 . . . . 0.0 110.743 -178.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 22' ' ' ARG . . . . . 0.631 ' HB2' ' HB3' ' F' ' 19' ' ' CYS . 46.6 mtt85 -104.44 173.84 6.13 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.751 -0.658 . . . . 0.0 109.857 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' F' F ' 23' ' ' GLY . . . . . 0.729 ' HA2' ' HD2' ' H' ' 28' ' ' PRO . . . -99.27 -172.29 31.06 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.385 -0.912 . . . . 0.0 111.051 178.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' F' F ' 24' ' ' PHE . . . . . 0.491 ' HE2' ' CD2' ' F' ' 16' ' ' TYR . 4.9 p90 -156.37 149.01 23.73 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.213 0.53 . . . . 0.0 110.473 178.787 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' F' F ' 25' ' ' PHE . . . . . . . . . . . . . 8.0 p90 -114.44 117.78 31.96 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 179.059 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 26' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -106.31 120.24 41.35 Favored 'General case' 0 N--CA 1.445 -0.687 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.175 -179.168 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 27' ' ' THR . . . . . . . . . . . . . 2.8 p -123.2 88.51 51.19 Favored Pre-proline 0 C--N 1.318 -0.77 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 -178.653 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 28' ' ' PRO . . . . . 0.71 ' HD2' ' HA2' ' H' ' 23' ' ' GLY . 93.5 Cg_endo -82.39 11.53 3.15 Favored 'Trans proline' 0 N--CA 1.46 -0.487 0 C-N-CA 122.614 2.209 . . . . 0.0 109.676 177.418 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' F' F ' 29' ' ' LYS . . . . . . . . . . . . . 68.3 tttt -109.41 126.87 53.91 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 114.049 -1.432 . . . . 0.0 109.819 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 30' ' ' THR . . . . . . . . . . . . . 9.2 t . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.625 -0.702 . . . . 0.0 109.566 179.742 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' G' G ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.887 0 N-CA-C 111.507 -0.637 . . . . 0.0 111.507 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' G' G ' 2' ' ' ILE . . . . . . . . . . . . . 11.6 tt -82.25 -36.17 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 120.736 0.303 . . . . 0.0 111.332 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' G' G ' 3' ' ' VAL . . . . . 0.544 HG11 ' HG3' ' H' ' 4' ' ' GLN . 87.6 t -62.31 -58.84 5.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.856 0.36 . . . . 0.0 110.697 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' G' G ' 4' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -79.98 61.6 3.92 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.706 0.765 . . . . 0.0 110.847 179.665 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' G' G ' 5' ' ' GLN . . . . . 0.462 ' HG2' ' SG ' ' G' ' 11' ' ' CYS . 32.6 tt0 -172.19 -44.84 0.02 OUTLIER 'General case' 0 C--N 1.31 -1.146 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' G' G ' 6' ' ' CYS . . . . . . . . . . . . . 95.5 m -87.99 -39.64 14.52 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.653 -1.158 . . . . 0.0 111.109 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' G' G ' 7' ' ' CYS . . . . . . . . . . . . . 79.4 m -91.05 17.2 8.31 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.165 0.507 . . . . 0.0 110.107 178.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' G' G ' 8' ' ' THR . . . . . . . . . . . . . 22.8 m -103.82 -45.89 4.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.435 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' G' G ' 9' ' ' SER . . . . . . . . . . . . . 3.6 p -156.43 22.78 0.35 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.802 179.614 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' G' G ' 10' ' ' ILE . . . . . 0.446 HD11 ' HA ' ' D' ' 2' ' ' VAL . 2.3 mp 70.1 125.84 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.726 179.796 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' G' G ' 11' ' ' CYS . . . . . 0.462 ' SG ' ' HG2' ' G' ' 5' ' ' GLN . 81.1 m -81.77 146.93 29.69 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.071 179.691 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' G' G ' 12' ' ' SER . . . . . 0.437 ' HB2' ' HG3' ' G' ' 15' ' ' GLN . 14.7 m -75.58 151.77 37.81 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 178.372 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' G' G ' 13' ' ' LEU . . . . . 0.92 HD11 HD11 ' A' ' 13' ' ' LEU . 7.3 tt -52.4 -47.37 66.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 123.378 0.424 . . . . 0.0 112.039 -178.667 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -66.11 -22.15 66.38 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 -179.058 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' G' G ' 15' ' ' GLN . . . . . 0.437 ' HG3' ' HB2' ' G' ' 12' ' ' SER . 85.0 mt-30 -77.18 -27.23 53.58 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.188 0.518 . . . . 0.0 109.868 178.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' G' G ' 16' ' ' LEU . . . . . 0.713 ' HB3' HD23 ' H' ' 15' ' ' LEU . 85.6 mt -78.62 -24.47 45.3 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.262 -179.594 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' G' G ' 17' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -61.04 -23.48 65.47 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.807 -179.537 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' G' G ' 18' ' ' ASN . . . . . . . . . . . . . 68.4 m-20 -80.81 -4.17 53.7 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.485 -179.176 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' G' G ' 19' ' ' TYR . . . . . . . . . . . . . 17.5 m-30 -105.47 14.36 28.78 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.969 0.414 . . . . 0.0 111.215 -178.618 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' G' G ' 20' ' ' CYS . . . . . . . . . . . . . 77.4 m -85.28 154.23 22.06 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.158 179.462 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' G' G ' 21' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 . . . . . 0 C--O 1.253 1.255 0 CA-C-O 118.498 -0.763 . . . . 0.0 109.45 179.659 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' H' H ' 1' ' ' PHE . . . . . . . . . . . . . 28.1 t80 . . . . . 0 N--CA 1.48 1.071 0 N-CA-C 111.528 0.195 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' H' H ' 2' ' ' VAL . . . . . 0.516 ' O ' ' HG ' ' H' ' 6' ' ' LEU . 16.0 m -67.64 -32.23 55.96 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.185 0 N-CA-C 112.856 0.687 . . . . 0.0 112.856 -178.192 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' H' H ' 3' ' ' ASN . . . . . 0.438 ' HA ' ' HB2' ' H' ' 6' ' ' LEU . 11.3 m-20 -62.89 -18.76 63.43 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-O 120.927 0.394 . . . . 0.0 110.822 179.443 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' H' H ' 4' ' ' GLN . . . . . 0.544 ' HG3' HG11 ' G' ' 3' ' ' VAL . 66.2 tt0 -68.24 -17.75 64.38 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-O 121.1 0.476 . . . . 0.0 109.884 178.557 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' H' H ' 5' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -118.14 11.4 13.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.433 0.635 . . . . 0.0 109.578 179.205 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' H' H ' 6' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' H' ' 2' ' ' VAL . 54.1 mt -126.04 -64.37 1.05 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.505 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' H' H ' 7' ' ' CYS . . . . . 0.457 ' HB2' HD13 ' D' ' 6' ' ' LEU . 2.9 t -62.59 -46.61 87.53 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.739 -1.119 . . . . 0.0 109.403 178.363 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' H' H ' 8' ' ' GLY . . . . . 0.649 ' HA2' ' HG ' ' H' ' 11' ' ' LEU . . . -59.05 -29.67 65.68 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.32 178.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' H' H ' 9' ' ' SER . . . . . 0.677 ' HB3' ' HG2' ' F' ' 13' ' ' GLU . 7.7 m -71.82 -1.12 12.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.706 0.289 . . . . 0.0 111.323 179.621 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' H' H ' 10' ' ' HIS . . . . . . . . . . . . . 70.1 m-70 -120.77 -10.82 9.1 Favored 'General case' 0 CA--C 1.509 -0.627 0 CA-C-O 120.763 0.316 . . . . 0.0 111.309 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' H' H ' 11' ' ' LEU . . . . . 0.649 ' HG ' ' HA2' ' H' ' 8' ' ' GLY . 14.3 mt -69.85 -21.77 63.32 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 176.873 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' H' H ' 12' ' ' VAL . . . . . 0.45 HG21 HG21 ' F' ' 12' ' ' VAL . 11.3 m -67.99 -46.44 81.81 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 CA-C-N 114.575 -1.193 . . . . 0.0 111.583 179.332 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' H' H ' 13' ' ' GLU . . . . . 0.677 ' HG2' ' HB3' ' F' ' 9' ' ' SER . 19.5 mt-10 -62.86 -29.82 71.04 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 178.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' H' H ' 14' ' ' ALA . . . . . 0.437 ' HB1' ' HG ' ' B' ' 17' ' ' LEU . . . -69.17 -52.66 25.81 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.445 177.428 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' H' H ' 15' ' ' LEU . . . . . 0.713 HD23 ' HB3' ' G' ' 16' ' ' LEU . 91.1 mt -57.83 -39.16 77.0 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.499 0.666 . . . . 0.0 110.092 178.539 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' H' H ' 16' ' ' TYR . . . . . 0.493 ' CD2' ' HE2' ' H' ' 24' ' ' PHE . 0.4 OUTLIER -54.85 -37.77 66.62 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.759 -1.11 . . . . 0.0 110.809 179.883 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' H' H ' 17' ' ' LEU . . . . . 0.428 ' HG ' ' HB1' ' B' ' 14' ' ' ALA . 4.1 mm? -81.42 -43.31 19.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.4 179.357 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' H' H ' 18' ' ' VAL . . . . . 0.407 HG23 ' O ' ' H' ' 14' ' ' ALA . 84.8 t -59.31 -48.19 87.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.5 179.602 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' H' H ' 19' ' ' CYS . . . . . 0.634 ' HB3' ' HB2' ' H' ' 22' ' ' ARG . 73.7 m -72.39 -28.76 63.19 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.833 179.07 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' H' H ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.39 -98.82 0.34 Allowed Glycine 0 N--CA 1.452 -0.235 0 CA-C-N 115.605 -0.725 . . . . 0.0 113.939 178.516 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' H' H ' 21' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -92.93 6.62 47.16 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.123 0.487 . . . . 0.0 110.781 -178.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' H' H ' 22' ' ' ARG . . . . . 0.634 ' HB2' ' HB3' ' H' ' 19' ' ' CYS . 48.7 mtt85 -104.46 173.71 6.19 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.705 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' H' H ' 23' ' ' GLY . . . . . 0.71 ' HA2' ' HD2' ' F' ' 28' ' ' PRO . . . -99.63 -171.95 30.53 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.408 -0.901 . . . . 0.0 111.184 178.84 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' H' H ' 24' ' ' PHE . . . . . 0.493 ' HE2' ' CD2' ' H' ' 16' ' ' TYR . 5.2 p90 -156.48 149.28 23.84 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.208 0.528 . . . . 0.0 110.437 178.876 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' H' H ' 25' ' ' PHE . . . . . . . . . . . . . 8.0 p90 -114.62 118.02 32.51 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 179.095 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' H' H ' 26' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -106.61 119.86 40.43 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.323 -179.125 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' H' H ' 27' ' ' THR . . . . . . . . . . . . . 3.8 p -122.86 89.3 50.41 Favored Pre-proline 0 C--N 1.318 -0.782 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -178.741 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' H' H ' 28' ' ' PRO . . . . . 0.729 ' HD2' ' HA2' ' F' ' 23' ' ' GLY . 86.3 Cg_endo -82.68 11.26 3.28 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.591 2.194 . . . . 0.0 109.73 177.406 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' H' H ' 29' ' ' LYS . . . . . . . . . . . . . 69.2 tttt -108.48 129.31 55.28 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 113.904 -1.498 . . . . 0.0 109.401 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' H' H ' 30' ' ' THR . . . . . . . . . . . . . 13.5 t . . . . . 0 C--O 1.248 0.986 0 CA-C-O 118.609 -0.71 . . . . 0.0 109.77 179.949 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' I' I ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.625 0 N-CA-C 111.412 -0.675 . . . . 0.0 111.412 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' I' I ' 2' ' ' ILE . . . . . . . . . . . . . 12.5 tt -81.9 -36.1 13.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.7 0.286 . . . . 0.0 111.31 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' I' I ' 3' ' ' VAL . . . . . 0.544 HG11 ' HG3' ' J' ' 4' ' ' GLN . 86.6 t -62.08 -59.21 4.68 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.968 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' I' I ' 4' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -79.72 59.72 3.16 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.674 0.749 . . . . 0.0 111.117 179.246 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' I' I ' 5' ' ' GLN . . . . . 0.447 ' HG2' ' SG ' ' I' ' 11' ' ' CYS . 31.4 tt0 -170.34 -44.27 0.02 OUTLIER 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 114.301 -1.318 . . . . 0.0 107.62 179.758 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' I' I ' 6' ' ' CYS . . . . . . . . . . . . . 96.0 m -88.57 -39.27 14.25 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 114.594 -1.184 . . . . 0.0 111.226 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' I' I ' 7' ' ' CYS . . . . . . . . . . . . . 79.7 m -91.8 17.57 8.89 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.176 0.512 . . . . 0.0 110.007 178.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' I' I ' 8' ' ' THR . . . . . . . . . . . . . 22.7 m -103.74 -45.92 4.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.536 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' I' I ' 9' ' ' SER . . . . . . . . . . . . . 3.7 p -156.28 22.26 0.36 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.702 179.683 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' I' I ' 10' ' ' ILE . . . . . 0.421 HD11 ' HA ' ' B' ' 2' ' ' VAL . 2.3 mp 70.39 127.7 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.399 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' I' I ' 11' ' ' CYS . . . . . 0.447 ' SG ' ' HG2' ' I' ' 5' ' ' GLN . 76.2 m -83.81 146.66 28.01 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.858 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' I' I ' 12' ' ' SER . . . . . . . . . . . . . 19.5 m -75.43 151.94 38.03 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 178.602 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' I' I ' 13' ' ' LEU . . . . . 0.937 HD11 HD11 ' C' ' 13' ' ' LEU . 7.3 tt -52.51 -47.64 66.5 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -178.57 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -65.55 -23.47 66.87 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -179.022 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -75.13 -28.98 60.4 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.104 0.478 . . . . 0.0 110.052 178.802 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' I' I ' 16' ' ' LEU . . . . . 0.708 ' HB3' HD23 ' J' ' 15' ' ' LEU . 84.9 mt -76.91 -24.71 52.47 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.48 -179.552 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' I' I ' 17' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -61.01 -22.59 64.68 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.868 0.366 . . . . 0.0 111.919 -179.559 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' I' I ' 18' ' ' ASN . . . . . . . . . . . . . 64.0 m-20 -81.77 -3.27 53.41 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.381 -178.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' I' I ' 19' ' ' TYR . . . . . . . . . . . . . 18.2 m-30 -106.46 14.25 27.44 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.942 0.401 . . . . 0.0 111.23 -178.464 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' I' I ' 20' ' ' CYS . . . . . . . . . . . . . 78.9 m -85.05 156.01 21.28 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.023 179.548 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' I' I ' 21' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 . . . . . 0 C--O 1.254 1.321 0 CA-C-O 118.222 -0.894 . . . . 0.0 109.585 179.722 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' J' J ' 1' ' ' PHE . . . . . . . . . . . . . 28.2 t80 . . . . . 0 N--CA 1.482 1.134 0 CA-C-O 120.669 0.271 . . . . 0.0 111.73 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' J' J ' 2' ' ' VAL . . . . . 0.526 ' O ' ' HG ' ' J' ' 6' ' ' LEU . 16.4 m -69.1 -32.12 52.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 -178.182 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' J' J ' 3' ' ' ASN . . . . . 0.423 ' HA ' ' HB2' ' J' ' 6' ' ' LEU . 10.8 m-20 -62.92 -18.68 63.4 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-O 121.031 0.443 . . . . 0.0 110.91 179.549 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' J' J ' 4' ' ' GLN . . . . . 0.544 ' HG3' HG11 ' I' ' 3' ' ' VAL . 65.8 tt0 -68.65 -17.06 64.02 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.216 0.531 . . . . 0.0 109.86 178.49 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' J' J ' 5' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -118.73 11.06 12.61 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.383 0.611 . . . . 0.0 109.598 179.162 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' J' J ' 6' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' J' ' 2' ' ' VAL . 53.8 mt -125.68 -64.4 1.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.388 179.712 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' J' J ' 7' ' ' CYS . . . . . 0.436 ' HB2' HD13 ' B' ' 6' ' ' LEU . 3.4 t -62.11 -46.67 88.03 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.745 -1.116 . . . . 0.0 109.385 178.16 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' J' J ' 8' ' ' GLY . . . . . 0.623 ' HA2' ' HG ' ' J' ' 11' ' ' LEU . . . -58.73 -29.92 65.07 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.315 178.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' J' J ' 9' ' ' SER . . . . . 0.701 ' HB3' ' HG2' ' L' ' 13' ' ' GLU . 8.2 m -71.74 -1.44 13.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.717 0.294 . . . . 0.0 111.337 179.746 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' J' J ' 10' ' ' HIS . . . . . . . . . . . . . 71.4 m-70 -120.59 -10.85 9.16 Favored 'General case' 0 CA--C 1.509 -0.62 0 CA-C-O 120.823 0.344 . . . . 0.0 111.277 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' J' J ' 11' ' ' LEU . . . . . 0.623 ' HG ' ' HA2' ' J' ' 8' ' ' GLY . 13.5 mt -69.97 -21.49 63.24 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 176.805 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' J' J ' 12' ' ' VAL . . . . . 0.448 ' O ' ' HB2' ' J' ' 16' ' ' TYR . 12.1 m -68.24 -46.1 81.67 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 CA-C-N 114.713 -1.131 . . . . 0.0 111.583 179.32 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' J' J ' 13' ' ' GLU . . . . . 0.71 ' HG2' ' HB3' ' L' ' 9' ' ' SER . 19.2 mt-10 -63.28 -29.52 70.83 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 178.776 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' J' J ' 14' ' ' ALA . . . . . 0.428 ' HB1' ' HG ' ' D' ' 17' ' ' LEU . . . -69.25 -52.99 22.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.438 177.39 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' J' J ' 15' ' ' LEU . . . . . 0.708 HD23 ' HB3' ' I' ' 16' ' ' LEU . 94.1 mt -57.78 -39.1 76.69 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.051 178.512 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' J' J ' 16' ' ' TYR . . . . . 0.497 ' CD2' ' HE2' ' J' ' 24' ' ' PHE . 0.5 OUTLIER -54.74 -38.17 66.81 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.829 -1.078 . . . . 0.0 110.948 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' J' J ' 17' ' ' LEU . . . . . 0.406 HD13 ' HA ' ' J' ' 17' ' ' LEU . 4.0 mm? -81.03 -43.44 19.56 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.583 179.214 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' J' J ' 18' ' ' VAL . . . . . 0.413 HG23 ' O ' ' J' ' 14' ' ' ALA . 84.3 t -59.08 -47.49 89.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.557 179.504 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' J' J ' 19' ' ' CYS . . . . . 0.626 ' HB3' ' HB2' ' J' ' 22' ' ' ARG . 73.4 m -73.17 -29.17 62.66 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.776 179.027 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' J' J ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.34 -99.75 0.41 Allowed Glycine 0 N--CA 1.451 -0.346 0 CA-C-N 115.517 -0.765 . . . . 0.0 113.772 178.555 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' J' J ' 21' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -91.11 4.43 52.19 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.25 0.548 . . . . 0.0 110.935 -178.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' J' J ' 22' ' ' ARG . . . . . 0.626 ' HB2' ' HB3' ' J' ' 19' ' ' CYS . 49.0 mtt85 -102.43 174.68 5.8 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.027 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' J' J ' 23' ' ' GLY . . . . . 0.726 ' HA2' ' HD2' ' L' ' 28' ' ' PRO . . . -100.36 -171.79 29.57 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.411 -0.9 . . . . 0.0 111.139 179.052 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' J' J ' 24' ' ' PHE . . . . . 0.497 ' HE2' ' CD2' ' J' ' 16' ' ' TYR . 5.0 p90 -156.65 149.31 23.61 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.189 0.519 . . . . 0.0 110.274 178.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' J' J ' 25' ' ' PHE . . . . . . . . . . . . . 8.0 p90 -114.6 117.69 31.6 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 179.064 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' J' J ' 26' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -106.09 120.08 40.88 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.316 -179.24 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' J' J ' 27' ' ' THR . . . . . . . . . . . . . 3.9 p -122.87 88.99 50.49 Favored Pre-proline 0 C--N 1.323 -0.579 0 N-CA-C 112.818 0.674 . . . . 0.0 112.818 -178.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' J' J ' 28' ' ' PRO . . . . . 0.719 ' HD2' ' HA2' ' L' ' 23' ' ' GLY . 90.2 Cg_endo -82.65 11.8 3.1 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.745 2.297 . . . . 0.0 109.658 177.349 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' J' J ' 29' ' ' LYS . . . . . . . . . . . . . 69.8 tttt -109.06 130.53 55.48 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.038 -1.437 . . . . 0.0 109.227 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' J' J ' 30' ' ' THR . . . . . . . . . . . . . 11.6 t . . . . . 0 C--O 1.246 0.914 0 CA-C-O 118.696 -0.669 . . . . 0.0 109.589 -179.951 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.754 0 N-CA-C 111.461 -0.656 . . . . 0.0 111.461 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' K' K ' 2' ' ' ILE . . . . . . . . . . . . . 11.9 tt -81.37 -35.65 14.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.58 0.229 . . . . 0.0 111.413 -179.618 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' K' K ' 3' ' ' VAL . . . . . 0.529 HG11 ' HG3' ' L' ' 4' ' ' GLN . 98.0 t -62.87 -59.62 4.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.894 0.378 . . . . 0.0 110.668 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' K' K ' 4' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -78.77 58.95 2.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.5 0.667 . . . . 0.0 111.27 179.508 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' K' K ' 5' ' ' GLN . . . . . 0.427 ' HG2' ' SG ' ' K' ' 11' ' ' CYS . 32.0 tt0 -170.02 -43.37 0.02 OUTLIER 'General case' 0 C--N 1.311 -1.07 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' K' K ' 6' ' ' CYS . . . . . . . . . . . . . 92.3 m -89.09 -39.47 13.61 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.634 -1.167 . . . . 0.0 111.142 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' K' K ' 7' ' ' CYS . . . . . . . . . . . . . 80.6 m -91.73 17.96 8.26 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.103 0.478 . . . . 0.0 110.017 178.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' K' K ' 8' ' ' THR . . . . . . . . . . . . . 24.5 m -104.39 -44.71 4.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.523 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' K' K ' 9' ' ' SER . . . . . . . . . . . . . 4.9 p -157.77 22.59 0.27 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.706 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' K' K ' 10' ' ' ILE . . . . . 0.416 HD11 ' HA ' ' H' ' 2' ' ' VAL . 2.3 mp 69.81 127.41 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.619 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' K' K ' 11' ' ' CYS . . . . . 0.427 ' SG ' ' HG2' ' K' ' 5' ' ' GLN . 82.2 m -83.48 145.88 28.69 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.964 179.724 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' K' K ' 12' ' ' SER . . . . . 0.417 ' HB2' ' HG3' ' K' ' 15' ' ' GLN . 18.8 m -74.84 152.14 38.96 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 178.429 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' K' K ' 13' ' ' LEU . . . . . 0.916 HD11 HD11 ' E' ' 13' ' ' LEU . 7.3 tt -52.92 -46.89 68.29 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -178.521 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -66.09 -22.71 66.42 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -178.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' K' K ' 15' ' ' GLN . . . . . 0.417 ' HG3' ' HB2' ' K' ' 12' ' ' SER . 85.0 mt-30 -76.14 -28.83 57.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.089 0.471 . . . . 0.0 109.99 178.855 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' K' K ' 16' ' ' LEU . . . . . 0.703 ' HB3' HD23 ' L' ' 15' ' ' LEU . 85.5 mt -77.2 -24.21 51.38 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.584 -179.655 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' K' K ' 17' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -61.94 -21.98 65.23 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.884 0.373 . . . . 0.0 111.926 -179.401 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' K' K ' 18' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -81.79 -3.44 53.89 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.282 -179.289 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' K' K ' 19' ' ' TYR . . . . . . . . . . . . . 17.4 m-30 -106.52 14.91 26.53 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.873 0.368 . . . . 0.0 111.039 -178.351 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' K' K ' 20' ' ' CYS . . . . . . . . . . . . . 75.2 m -86.01 154.65 21.29 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.911 179.472 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' K' K ' 21' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 . . . . . 0 C--O 1.251 1.173 0 CA-C-O 118.278 -0.868 . . . . 0.0 109.152 179.494 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' L' L ' 1' ' ' PHE . . . . . . . . . . . . . 28.9 t80 . . . . . 0 N--CA 1.482 1.151 0 N-CA-C 111.489 0.181 . . . . 0.0 111.489 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' L' L ' 2' ' ' VAL . . . . . 0.503 ' O ' ' HG ' ' L' ' 6' ' ' LEU . 15.3 m -67.49 -32.3 56.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 -178.279 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' L' L ' 3' ' ' ASN . . . . . 0.415 ' HA ' ' HB2' ' L' ' 6' ' ' LEU . 10.3 m-20 -62.69 -17.91 61.49 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-O 121.035 0.445 . . . . 0.0 110.884 179.576 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' L' L ' 4' ' ' GLN . . . . . 0.529 ' HG3' HG11 ' K' ' 3' ' ' VAL . 66.1 tt0 -69.76 -16.9 63.39 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.255 0.55 . . . . 0.0 109.826 178.596 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' L' L ' 5' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -118.73 11.56 12.76 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.439 0.638 . . . . 0.0 109.501 179.136 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' L' L ' 6' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' L' ' 2' ' ' VAL . 54.1 mt -126.19 -64.49 1.04 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.373 -0.831 . . . . 0.0 109.478 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' L' L ' 7' ' ' CYS . . . . . 0.44 ' HB2' HD13 ' H' ' 6' ' ' LEU . 2.9 t -62.41 -46.63 87.73 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.758 -1.11 . . . . 0.0 109.305 178.498 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' L' L ' 8' ' ' GLY . . . . . 0.655 ' HA2' ' HG ' ' L' ' 11' ' ' LEU . . . -59.0 -29.69 65.55 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.231 179.069 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' L' L ' 9' ' ' SER . . . . . 0.71 ' HB3' ' HG2' ' J' ' 13' ' ' GLU . 7.4 m -71.97 -0.62 12.0 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.602 0.239 . . . . 0.0 111.256 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' L' L ' 10' ' ' HIS . . . . . . . . . . . . . 69.1 m-70 -121.22 -11.12 8.87 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-O 120.88 0.372 . . . . 0.0 111.216 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' L' L ' 11' ' ' LEU . . . . . 0.655 ' HG ' ' HA2' ' L' ' 8' ' ' GLY . 13.9 mt -69.39 -21.77 63.75 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 176.826 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' L' L ' 12' ' ' VAL . . . . . 0.437 ' O ' ' HB2' ' L' ' 16' ' ' TYR . 12.2 m -68.29 -46.16 81.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-N 114.543 -1.208 . . . . 0.0 111.521 179.43 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' L' L ' 13' ' ' GLU . . . . . 0.701 ' HG2' ' HB3' ' J' ' 9' ' ' SER . 19.0 mt-10 -63.18 -29.56 70.88 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 178.714 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' L' L ' 14' ' ' ALA . . . . . 0.412 ' O ' HG23 ' L' ' 18' ' ' VAL . . . -69.23 -52.95 22.68 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.424 177.442 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' L' L ' 15' ' ' LEU . . . . . 0.703 HD23 ' HB3' ' K' ' 16' ' ' LEU . 91.3 mt -57.82 -39.22 77.11 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.915 178.621 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' L' L ' 16' ' ' TYR . . . . . 0.486 ' CD2' ' HE2' ' L' ' 24' ' ' PHE . 0.4 OUTLIER -54.85 -37.78 66.63 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.843 179.933 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' L' L ' 17' ' ' LEU . . . . . 0.422 ' HG ' ' HB1' ' F' ' 14' ' ' ALA . 4.0 mm? -81.22 -43.62 18.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.469 179.18 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' L' L ' 18' ' ' VAL . . . . . 0.412 HG23 ' O ' ' L' ' 14' ' ' ALA . 85.9 t -59.15 -47.39 90.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.485 179.629 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' L' L ' 19' ' ' CYS . . . . . 0.631 ' HB3' ' HB2' ' L' ' 22' ' ' ARG . 70.9 m -73.15 -28.9 62.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.147 -0.478 . . . . 0.0 109.804 179.142 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' L' L ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.01 -98.56 0.37 Allowed Glycine 0 N--CA 1.452 -0.239 0 CA-C-N 115.511 -0.768 . . . . 0.0 113.964 178.325 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' L' L ' 21' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -93.66 6.92 46.7 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.408 0.623 . . . . 0.0 110.697 -178.818 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' L' L ' 22' ' ' ARG . . . . . 0.631 ' HB2' ' HB3' ' L' ' 19' ' ' CYS . 49.0 mtt85 -104.76 173.94 6.09 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.939 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' L' L ' 23' ' ' GLY . . . . . 0.719 ' HA2' ' HD2' ' J' ' 28' ' ' PRO . . . -99.57 -172.11 30.64 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.42 -0.895 . . . . 0.0 111.078 178.841 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' L' L ' 24' ' ' PHE . . . . . 0.486 ' HE2' ' CD2' ' L' ' 16' ' ' TYR . 4.9 p90 -156.33 149.66 24.46 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.154 0.502 . . . . 0.0 110.251 178.805 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' L' L ' 25' ' ' PHE . . . . . . . . . . . . . 8.0 p90 -114.91 118.35 33.24 Favored 'General case' 0 C--N 1.317 -0.848 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 179.098 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' L' L ' 26' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -106.82 119.89 40.54 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-O 120.97 0.414 . . . . 0.0 110.154 -179.145 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' L' L ' 27' ' ' THR . . . . . . . . . . . . . 3.1 p -122.75 88.65 50.16 Favored Pre-proline 0 C--N 1.323 -0.567 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 -178.745 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' L' L ' 28' ' ' PRO . . . . . 0.726 ' HD2' ' HA2' ' J' ' 23' ' ' GLY . 95.8 Cg_endo -82.44 11.11 3.3 Favored 'Trans proline' 0 N--CA 1.461 -0.424 0 C-N-CA 122.684 2.256 . . . . 0.0 109.703 177.661 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' L' L ' 29' ' ' LYS . . . . . . . . . . . . . 69.5 tttt . . . . . 0 C--N 1.318 -0.778 0 CA-C-N 113.916 -1.493 . . . . 0.0 109.377 -179.906 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.35 0 N-CA-C 111.838 -0.505 . . . . 0.0 111.838 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.6 tt -163.63 -43.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-O 120.641 0.258 . . . . 0.0 110.581 179.503 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.555 HG11 ' CD ' ' B' ' 4' ' ' GLN . 46.3 t -71.69 -75.57 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 C-N-CA 120.914 -0.314 . . . . 0.0 111.651 -179.194 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 79.0 tt0 -57.13 -33.64 67.58 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.893 0.378 . . . . 0.0 110.402 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -55.86 -40.02 72.32 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.543 179.291 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 70.9 m -101.84 -27.58 12.92 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -179.114 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.685 ' HB2' HD11 ' B' ' 11' ' ' LEU . 42.4 t -84.85 41.62 0.87 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.457 0.646 . . . . 0.0 111.015 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.9 t -127.79 -44.01 1.51 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 178.123 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.445 ' O ' ' HB ' ' A' ' 10' ' ' ILE . 52.7 m -158.06 19.57 0.25 Allowed 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 120.486 0.184 . . . . 0.0 110.691 179.197 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.581 ' CD1' ' H ' ' F' ' 3' ' ' ASN . 1.9 mp 73.16 136.54 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.499 0 C-N-CA 123.133 0.573 . . . . 0.0 111.202 -179.504 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 97.9 m -91.57 175.24 6.98 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.114 0.483 . . . . 0.0 111.042 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.0 m -79.68 161.96 25.51 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.162 178.782 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.91 -56.44 21.06 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.168 -178.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -66.64 -17.99 65.13 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.876 0.369 . . . . 0.0 111.417 -179.536 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -71.26 -31.59 67.7 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.018 179.443 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.0 mt -74.94 -30.32 61.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.456 178.815 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -63.44 -16.78 61.58 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.168 -179.646 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -71.25 -12.83 61.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.893 0.378 . . . . 0.0 110.858 179.559 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -106.1 15.95 25.66 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.201 0.524 . . . . 0.0 110.807 -178.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 11.8 m -92.32 155.3 18.02 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.117 179.532 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 59.8 m-80 . . . . . 0 C--O 1.249 1.036 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.563 178.932 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 66.4 t80 . . . . . 0 N--CA 1.479 0.996 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 2' ' ' VAL . . . . . 0.504 ' HB ' HD11 ' I' ' 10' ' ' ILE . 10.3 m -116.31 169.93 6.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.837 179.741 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 3' ' ' ASN . . . . . 0.565 ' H ' ' CD1' ' I' ' 10' ' ' ILE . 3.1 t-20 -105.1 -170.28 1.73 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.646 -178.815 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 4' ' ' GLN . . . . . 0.56 ' OE1' ' HA ' ' B' ' 28' ' ' PRO . 5.3 tt0 -53.1 -34.8 58.25 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.067 179.39 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 5' ' ' HIS . . . . . 0.567 ' HB3' HG12 ' I' ' 10' ' ' ILE . 23.6 t60 -54.49 -18.56 4.43 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.604 -0.726 . . . . 0.0 112.626 -178.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 36.4 mt -124.81 -14.17 6.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.923 0.392 . . . . 0.0 110.983 178.547 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 7' ' ' CYS . . . . . 0.432 ' HB3' ' HA ' ' B' ' 4' ' ' GLN . 19.6 t -86.7 -40.27 15.23 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.928 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 8' ' ' GLY . . . . . 0.49 ' O ' HG22 ' B' ' 12' ' ' VAL . . . -60.74 -30.09 71.72 Favored Glycine 0 N--CA 1.451 -0.315 0 CA-C-N 116.075 -0.511 . . . . 0.0 113.869 -179.151 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 9' ' ' SER . . . . . 0.975 ' HB2' ' HG2' ' D' ' 13' ' ' GLU . 27.2 p -61.63 -24.16 66.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.955 0.407 . . . . 0.0 111.397 -179.083 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -99.04 -17.13 18.42 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.899 0.381 . . . . 0.0 111.004 -179.109 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.685 HD11 ' HB2' ' A' ' 7' ' ' CYS . 71.9 mt -73.88 -38.8 64.3 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 177.636 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.49 HG22 ' O ' ' B' ' 8' ' ' GLY . 2.8 m -69.54 -28.93 39.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.145 179.18 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.995 ' HG2' ' HB2' ' D' ' 9' ' ' SER . 40.1 mt-10 -57.48 -46.7 83.4 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 121.18 0.514 . . . . 0.0 109.897 179.548 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.0 -29.94 58.35 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.877 179.402 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.486 HD12 ' HA ' ' B' ' 12' ' ' VAL . 14.2 mt -55.49 -58.85 6.07 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.77 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 16' ' ' TYR . . . . . 0.954 ' HB3' ' HE2' ' B' ' 24' ' ' PHE . 8.1 p90 -77.13 -16.79 59.02 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.027 -0.669 . . . . 0.0 111.077 -179.164 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.461 ' HB2' ' O ' ' B' ' 13' ' ' GLU . 9.4 tp -67.06 -42.99 83.8 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 178.495 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 78.7 t -79.21 -42.71 23.74 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 CA-C-N 114.819 -1.082 . . . . 0.0 109.385 178.361 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -86.99 51.53 2.27 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.724 179.584 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.9 127.54 38.82 Favored Glycine 0 N--CA 1.449 -0.493 0 CA-C-N 115.538 -0.756 . . . . 0.0 113.368 -178.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.511 ' HA ' ' O ' ' D' ' 28' ' ' PRO . 50.5 mt-10 62.22 30.57 17.65 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 123.402 0.681 . . . . 0.0 112.71 179.105 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 16.9 mtt180 -118.91 -103.23 0.41 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 177.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 23' ' ' GLY . . . . . 0.501 ' HA2' ' HD3' ' D' ' 28' ' ' PRO . . . 156.48 147.47 4.77 Favored Glycine 0 N--CA 1.445 -0.707 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.585 179.657 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 24' ' ' PHE . . . . . 0.954 ' HE2' ' HB3' ' B' ' 16' ' ' TYR . 32.3 p90 -146.61 178.87 7.96 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.727 0.299 . . . . 0.0 110.304 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -128.46 151.21 49.66 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 178.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 25.6 t80 -140.79 124.56 17.08 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.038 0.447 . . . . 0.0 110.782 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 8.1 p -119.92 111.87 35.43 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.841 179.405 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 28' ' ' PRO . . . . . 0.56 ' HA ' ' OE1' ' B' ' 4' ' ' GLN . 8.9 Cg_exo -71.98 70.64 2.91 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 123.239 2.626 . . . . 0.0 111.677 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -120.46 175.79 5.81 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.078 -179.421 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 12.8 t . . . . . 0 C--O 1.251 1.137 0 CA-C-O 118.903 -0.57 . . . . 0.0 109.483 179.587 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.361 0 N-CA-C 111.607 -0.597 . . . . 0.0 111.607 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 7.3 tt -165.93 -44.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-O 120.965 0.412 . . . . 0.0 110.814 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 3' ' ' VAL . . . . . 0.567 HG11 ' CD ' ' D' ' 4' ' ' GLN . 45.4 t -71.63 -75.34 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.424 -179.483 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 73.6 tt0 -57.21 -32.82 66.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.074 0.464 . . . . 0.0 110.679 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -57.35 -38.94 74.94 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.569 179.484 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 71.3 m -102.57 -27.37 12.79 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -179.049 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 7' ' ' CYS . . . . . 0.672 ' HB2' HD11 ' D' ' 11' ' ' LEU . 42.0 t -85.02 40.68 0.83 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.321 0.581 . . . . 0.0 110.977 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 8.4 t -126.75 -42.87 1.74 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 178.31 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 9' ' ' SER . . . . . 0.442 ' O ' ' HB ' ' C' ' 10' ' ' ILE . 59.2 m -159.23 19.89 0.19 Allowed 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.592 179.171 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 10' ' ' ILE . . . . . 0.576 HG12 ' HB3' ' L' ' 5' ' ' HIS . 1.9 mp 72.75 137.14 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 CA-C-O 121.277 0.56 . . . . 0.0 111.327 -179.386 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 99.6 m -92.41 174.95 7.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.972 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 7.0 m -79.46 160.96 26.38 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.135 179.015 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.09 -55.86 28.72 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.354 -179.298 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -67.1 -18.27 65.25 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.921 0.391 . . . . 0.0 111.415 -179.535 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -70.45 -32.36 69.9 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.93 179.185 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 96.2 mt -74.32 -30.44 62.06 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.699 179.026 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -63.62 -15.66 58.8 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.999 -179.701 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -72.12 -14.35 61.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.095 0.474 . . . . 0.0 110.795 179.617 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -104.78 15.96 26.89 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.219 0.533 . . . . 0.0 111.038 -178.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 11.7 m -91.78 156.94 17.18 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.287 179.55 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 18.3 m120 . . . . . 0 C--O 1.244 0.779 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.558 179.024 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 66.1 t80 . . . . . 0 N--CA 1.481 1.116 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' D' D ' 2' ' ' VAL . . . . . 0.481 ' HB ' HD11 ' G' ' 10' ' ' ILE . 11.1 m -116.17 170.69 5.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 C-N-CA 120.316 -0.554 . . . . 0.0 110.959 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 3' ' ' ASN . . . . . 0.558 ' H ' ' CD1' ' G' ' 10' ' ' ILE . 2.9 t-20 -106.3 -171.48 1.9 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.666 -178.846 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 4' ' ' GLN . . . . . 0.569 ' OE1' ' HA ' ' D' ' 28' ' ' PRO . 5.2 tt0 -51.93 -34.37 41.52 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.279 179.401 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 5' ' ' HIS . . . . . 0.558 ' HB3' HG12 ' G' ' 10' ' ' ILE . 25.0 t60 -55.07 -18.62 5.63 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.799 -178.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 36.3 mt -124.28 -14.61 6.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.021 0.438 . . . . 0.0 111.081 178.596 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 7' ' ' CYS . . . . . 0.415 ' HB3' ' HA ' ' D' ' 4' ' ' GLN . 22.6 t -86.33 -40.33 15.57 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.256 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 8' ' ' GLY . . . . . 0.499 ' O ' HG22 ' D' ' 12' ' ' VAL . . . -60.66 -30.47 72.39 Favored Glycine 0 N--CA 1.451 -0.318 0 CA-C-N 116.014 -0.539 . . . . 0.0 113.728 -179.183 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 9' ' ' SER . . . . . 0.995 ' HB2' ' HG2' ' B' ' 13' ' ' GLU . 28.7 p -61.12 -24.38 66.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.91 0.386 . . . . 0.0 111.553 -179.155 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 10' ' ' HIS . . . . . 0.401 ' HA ' ' HG3' ' D' ' 13' ' ' GLU . 97.3 m-70 -98.94 -16.82 18.63 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.0 -179.238 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 11' ' ' LEU . . . . . 0.672 HD11 ' HB2' ' C' ' 7' ' ' CYS . 71.5 mt -74.23 -39.08 63.32 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.715 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 12' ' ' VAL . . . . . 0.499 HG22 ' O ' ' D' ' 8' ' ' GLY . 3.0 m -69.3 -28.68 39.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.443 179.116 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 13' ' ' GLU . . . . . 0.975 ' HG2' ' HB2' ' B' ' 9' ' ' SER . 40.8 mt-10 -57.78 -46.98 83.83 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-O 121.186 0.517 . . . . 0.0 109.85 179.444 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.35 -30.22 60.17 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.778 179.176 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 15' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' D' ' 12' ' ' VAL . 13.6 mt -55.5 -59.13 5.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.753 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 16' ' ' TYR . . . . . 0.963 ' HB3' ' HE2' ' D' ' 24' ' ' PHE . 8.4 p90 -76.75 -17.13 59.25 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.033 -0.667 . . . . 0.0 110.999 -179.253 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 17' ' ' LEU . . . . . 0.467 ' HB2' ' O ' ' D' ' 13' ' ' GLU . 8.8 tp -66.76 -42.7 85.74 Favored 'General case' 0 C--O 1.232 0.181 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 178.569 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 77.6 t -79.7 -43.06 23.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 114.901 -1.045 . . . . 0.0 109.281 178.163 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -86.14 50.76 2.05 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.165 179.623 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.82 127.89 41.86 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 115.499 -0.773 . . . . 0.0 113.347 -178.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 21' ' ' GLU . . . . . 0.523 ' HA ' ' O ' ' B' ' 28' ' ' PRO . 49.7 mt-10 61.91 29.69 17.9 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 179.142 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 22' ' ' ARG . . . . . . . . . . . . . 17.3 mtt180 -118.03 -102.54 0.42 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.093 0.473 . . . . 0.0 110.079 177.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 23' ' ' GLY . . . . . 0.498 ' HA2' ' HD3' ' B' ' 28' ' ' PRO . . . 156.09 146.98 4.6 Favored Glycine 0 N--CA 1.444 -0.79 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.508 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 24' ' ' PHE . . . . . 0.963 ' HE2' ' HB3' ' D' ' 16' ' ' TYR . 30.1 p90 -146.68 178.56 8.21 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.858 0.361 . . . . 0.0 110.149 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 25' ' ' PHE . . . . . . . . . . . . . 5.9 p90 -128.46 151.49 49.34 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.529 178.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 26' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -140.98 124.51 16.77 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.049 0.452 . . . . 0.0 110.952 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 27' ' ' THR . . . . . . . . . . . . . 15.0 p -120.03 112.3 34.95 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.718 179.143 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 28' ' ' PRO . . . . . 0.569 ' HA ' ' OE1' ' D' ' 4' ' ' GLN . 8.1 Cg_exo -71.83 69.9 2.89 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 123.384 2.722 . . . . 0.0 111.597 -179.716 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -120.91 173.71 7.07 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.048 -179.368 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 13.5 t . . . . . 0 C--O 1.248 1.01 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 179.586 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.605 0 N-CA-C 111.692 -0.563 . . . . 0.0 111.692 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' E' E ' 2' ' ' ILE . . . . . . . . . . . . . 7.0 tt -162.29 -43.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 120.787 0.327 . . . . 0.0 110.878 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 3' ' ' VAL . . . . . 0.578 HG11 ' CD ' ' F' ' 4' ' ' GLN . 43.4 t -71.52 -75.65 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.461 -179.168 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' E' E ' 4' ' ' GLU . . . . . . . . . . . . . 73.4 tt0 -57.3 -31.31 65.51 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 121.119 0.485 . . . . 0.0 110.655 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -58.71 -39.88 82.08 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.086 179.525 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 6' ' ' CYS . . . . . . . . . . . . . 71.2 m -101.51 -26.71 13.46 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -178.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 7' ' ' CYS . . . . . 0.657 ' HB2' HD11 ' F' ' 11' ' ' LEU . 42.2 t -85.51 40.14 0.82 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.238 0.542 . . . . 0.0 111.041 -179.575 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 9.7 t -126.52 -43.02 1.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 178.144 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 9' ' ' SER . . . . . 0.427 ' O ' ' HB ' ' E' ' 10' ' ' ILE . 73.3 m -158.93 20.45 0.2 Allowed 'General case' 0 CA--C 1.531 0.233 0 CA-C-O 120.578 0.227 . . . . 0.0 110.704 179.183 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' E' E ' 10' ' ' ILE . . . . . 0.557 ' CD1' ' H ' ' J' ' 3' ' ' ASN . 1.9 mp 72.03 136.36 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 C-N-CA 123.14 0.576 . . . . 0.0 111.408 -179.481 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' E' E ' 11' ' ' CYS . . . . . . . . . . . . . 98.4 m -90.88 176.71 6.52 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.116 0.484 . . . . 0.0 111.147 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 12' ' ' SER . . . . . . . . . . . . . 5.7 m -80.96 161.69 24.2 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.91 178.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.14 -56.02 25.59 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.28 -179.191 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -67.03 -17.64 65.0 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.986 0.422 . . . . 0.0 111.228 -179.537 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -71.43 -31.47 67.25 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.965 179.109 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 16' ' ' LEU . . . . . . . . . . . . . 96.0 mt -75.12 -30.32 60.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.477 178.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 17' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -63.69 -16.01 59.92 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.923 -0.58 . . . . 0.0 112.066 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 18' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -72.14 -14.03 61.72 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.973 0.416 . . . . 0.0 110.71 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 19' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -104.91 16.14 26.49 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.217 0.532 . . . . 0.0 110.903 -178.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 20' ' ' CYS . . . . . . . . . . . . . 11.0 m -91.97 155.94 17.79 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.494 -0.775 . . . . 0.0 111.033 179.476 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 21' ' ' ASN . . . . . . . . . . . . . 56.6 m-80 . . . . . 0 C--O 1.247 0.959 0 CA-C-N 115.723 -0.672 . . . . 0.0 109.39 178.667 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' F' F ' 1' ' ' PHE . . . . . . . . . . . . . 66.6 t80 . . . . . 0 N--CA 1.482 1.175 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' F' F ' 2' ' ' VAL . . . . . 0.49 ' HB ' HD11 ' A' ' 10' ' ' ILE . 11.3 m -115.19 171.62 4.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 C-N-CA 120.462 -0.495 . . . . 0.0 111.053 179.646 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' F' F ' 3' ' ' ASN . . . . . 0.581 ' H ' ' CD1' ' A' ' 10' ' ' ILE . 3.5 t-20 -107.1 -171.5 1.9 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.552 -178.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' F' F ' 4' ' ' GLN . . . . . 0.578 ' CD ' HG11 ' E' ' 3' ' ' VAL . 5.3 tt0 -52.06 -34.14 42.25 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 123.032 0.533 . . . . 0.0 111.153 179.28 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' F' F ' 5' ' ' HIS . . . . . 0.559 ' HB3' HG12 ' A' ' 10' ' ' ILE . 22.9 t60 -55.25 -18.34 5.99 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.747 -0.661 . . . . 0.0 112.646 -178.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' F' F ' 6' ' ' LEU . . . . . . . . . . . . . 37.7 mt -124.98 -13.88 6.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.938 0.399 . . . . 0.0 111.037 178.568 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 7' ' ' CYS . . . . . 0.432 ' HB3' ' HA ' ' F' ' 4' ' ' GLN . 17.3 t -87.06 -40.06 15.03 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.003 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' F' F ' 8' ' ' GLY . . . . . 0.504 ' O ' HG22 ' F' ' 12' ' ' VAL . . . -60.71 -30.34 72.26 Favored Glycine 0 C--N 1.331 0.254 0 CA-C-N 115.937 -0.574 . . . . 0.0 113.762 -179.136 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' F' F ' 9' ' ' SER . . . . . 0.978 ' HB2' ' HG2' ' H' ' 13' ' ' GLU . 25.9 p -61.45 -24.18 66.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.952 0.406 . . . . 0.0 111.427 -178.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' F' F ' 10' ' ' HIS . . . . . 0.41 ' HA ' ' HG3' ' F' ' 13' ' ' GLU . 96.5 m-70 -99.07 -17.18 18.37 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.009 -179.09 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' F' F ' 11' ' ' LEU . . . . . 0.657 HD11 ' HB2' ' E' ' 7' ' ' CYS . 70.5 mt -73.68 -39.25 64.53 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 177.547 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' F' F ' 12' ' ' VAL . . . . . 0.504 HG22 ' O ' ' F' ' 8' ' ' GLY . 2.9 m -69.1 -28.89 40.95 Favored 'Isoleucine or valine' 0 C--O 1.232 0.137 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.302 179.236 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' F' F ' 13' ' ' GLU . . . . . 0.977 ' HG2' ' HB2' ' H' ' 9' ' ' SER . 40.5 mt-10 -57.61 -47.23 82.77 Favored 'General case' 0 CA--C 1.521 -0.151 0 CA-C-O 121.187 0.517 . . . . 0.0 109.883 179.375 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' F' F ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.13 -29.98 60.69 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.882 179.406 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 15' ' ' LEU . . . . . 0.484 HD12 ' HA ' ' F' ' 12' ' ' VAL . 13.7 mt -55.74 -59.17 5.24 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.867 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' F' F ' 16' ' ' TYR . . . . . 0.946 ' HB3' ' HE2' ' F' ' 24' ' ' PHE . 8.4 p90 -76.72 -17.03 59.33 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 119.91 -0.716 . . . . 0.0 111.02 -179.4 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' F' F ' 17' ' ' LEU . . . . . 0.463 ' HB2' ' O ' ' F' ' 13' ' ' GLU . 9.1 tp -66.96 -42.36 85.3 Favored 'General case' 0 C--O 1.23 0.062 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 178.722 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 79.8 t -79.83 -42.68 22.53 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 CA-C-N 114.925 -1.034 . . . . 0.0 109.346 178.304 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -87.13 51.87 2.36 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.977 179.689 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' F' F ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.89 129.77 41.78 Favored Glycine 0 N--CA 1.446 -0.666 0 CA-C-N 115.4 -0.818 . . . . 0.0 113.443 -178.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 21' ' ' GLU . . . . . 0.507 ' HA ' ' O ' ' H' ' 28' ' ' PRO . 52.8 mt-10 60.67 29.48 19.04 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 179.238 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' F' F ' 22' ' ' ARG . . . . . . . . . . . . . 18.5 mtt180 -118.38 -104.09 0.41 Allowed 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 178.012 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 23' ' ' GLY . . . . . 0.509 ' HA2' ' HD3' ' H' ' 28' ' ' PRO . . . 157.48 147.86 4.93 Favored Glycine 0 N--CA 1.446 -0.664 0 N-CA-C 111.558 -0.617 . . . . 0.0 111.558 179.695 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' F' F ' 24' ' ' PHE . . . . . 0.946 ' HE2' ' HB3' ' F' ' 16' ' ' TYR . 29.8 p90 -147.32 178.41 8.43 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.771 0.32 . . . . 0.0 110.199 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' F' F ' 25' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -128.05 152.01 48.47 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 178.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 26' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -141.49 125.01 16.69 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.976 0.417 . . . . 0.0 110.673 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 27' ' ' THR . . . . . 0.434 ' HA ' ' HD3' ' F' ' 28' ' ' PRO . 10.3 p -120.34 111.36 35.14 Favored Pre-proline 0 C--N 1.318 -0.761 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.908 179.373 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' F' F ' 28' ' ' PRO . . . . . 0.553 ' HA ' ' OE1' ' F' ' 4' ' ' GLN . 9.0 Cg_exo -71.45 70.23 2.58 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 123.346 2.697 . . . . 0.0 111.64 -179.753 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' F' F ' 29' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -121.7 171.99 8.46 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.246 -179.433 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 30' ' ' THR . . . . . . . . . . . . . 13.2 t . . . . . 0 C--O 1.245 0.861 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 179.413 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' G' G ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.754 0 N-CA-C 111.654 -0.578 . . . . 0.0 111.654 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' G' G ' 2' ' ' ILE . . . . . . . . . . . . . 7.0 tt -164.79 -43.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.011 0.434 . . . . 0.0 111.035 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' G' G ' 3' ' ' VAL . . . . . 0.572 HG11 ' CD ' ' H' ' 4' ' ' GLN . 45.1 t -72.08 -73.67 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 122.225 -0.297 . . . . 0.0 111.612 -179.495 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' G' G ' 4' ' ' GLU . . . . . . . . . . . . . 75.9 tt0 -59.34 -31.7 69.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.083 0.468 . . . . 0.0 110.413 -179.633 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' G' G ' 5' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -57.97 -39.28 77.78 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.235 179.519 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' G' G ' 6' ' ' CYS . . . . . . . . . . . . . 71.1 m -102.43 -26.23 13.34 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -178.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' G' G ' 7' ' ' CYS . . . . . 0.68 ' HB2' HD11 ' H' ' 11' ' ' LEU . 41.9 t -86.07 40.85 0.89 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.249 0.547 . . . . 0.0 110.846 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' G' G ' 8' ' ' THR . . . . . . . . . . . . . 8.4 t -126.84 -43.57 1.69 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 178.168 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' G' G ' 9' ' ' SER . . . . . 0.436 ' O ' ' HB ' ' G' ' 10' ' ' ILE . 69.6 m -158.56 19.96 0.22 Allowed 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.707 -0.224 . . . . 0.0 110.699 179.19 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' G' G ' 10' ' ' ILE . . . . . 0.558 ' CD1' ' H ' ' D' ' 3' ' ' ASN . 1.9 mp 72.92 137.09 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 C-N-CA 123.181 0.593 . . . . 0.0 111.251 -179.407 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' G' G ' 11' ' ' CYS . . . . . . . . . . . . . 97.8 m -91.83 175.92 6.71 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.064 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' G' G ' 12' ' ' SER . . . . . . . . . . . . . 6.2 m -80.47 161.87 24.66 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.937 178.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' G' G ' 13' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.22 -56.03 25.36 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.798 0.332 . . . . 0.0 111.244 -178.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -67.13 -16.79 64.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.851 0.358 . . . . 0.0 111.259 -179.482 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -72.02 -32.42 67.14 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.8 179.27 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' G' G ' 16' ' ' LEU . . . . . . . . . . . . . 96.0 mt -74.26 -30.91 62.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.61 178.775 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' G' G ' 17' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -62.73 -17.47 60.86 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.965 -179.638 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' G' G ' 18' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -70.55 -13.88 62.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.858 179.665 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' G' G ' 19' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -105.35 15.58 27.04 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.21 0.528 . . . . 0.0 110.832 -178.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' G' G ' 20' ' ' CYS . . . . . . . . . . . . . 12.8 m -91.37 155.1 18.73 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.179 179.391 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' G' G ' 21' ' ' ASN . . . . . . . . . . . . . 22.2 m120 . . . . . 0 C--O 1.249 1.063 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.907 179.187 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' H' H ' 1' ' ' PHE . . . . . . . . . . . . . 67.6 t80 . . . . . 0 N--CA 1.482 1.157 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' H' H ' 2' ' ' VAL . . . . . 0.47 ' HB ' HD11 ' K' ' 10' ' ' ILE . 10.1 m -116.44 170.42 6.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.957 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' H' H ' 3' ' ' ASN . . . . . 0.555 ' H ' ' CD1' ' K' ' 10' ' ' ILE . 3.1 t-20 -105.73 -169.78 1.64 Allowed 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.896 -178.805 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' H' H ' 4' ' ' GLN . . . . . 0.572 ' CD ' HG11 ' G' ' 3' ' ' VAL . 5.3 tt0 -53.54 -34.77 59.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.072 179.395 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' H' H ' 5' ' ' HIS . . . . . 0.563 ' HB3' HG12 ' K' ' 10' ' ' ILE . 23.7 t60 -54.33 -18.66 4.28 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.681 -0.69 . . . . 0.0 112.783 -179.083 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' H' H ' 6' ' ' LEU . . . . . 0.403 ' HA ' HD23 ' H' ' 6' ' ' LEU . 35.8 mt -124.67 -14.36 6.8 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.986 0.422 . . . . 0.0 110.941 178.795 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' H' H ' 7' ' ' CYS . . . . . 0.413 ' HB3' ' HA ' ' H' ' 4' ' ' GLN . 18.5 t -86.76 -40.29 15.15 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.146 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' H' H ' 8' ' ' GLY . . . . . 0.482 ' O ' HG22 ' H' ' 12' ' ' VAL . . . -60.65 -30.36 72.09 Favored Glycine 0 C--N 1.33 0.249 0 CA-C-N 116.061 -0.518 . . . . 0.0 113.764 -179.068 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' H' H ' 9' ' ' SER . . . . . 0.977 ' HB2' ' HG2' ' F' ' 13' ' ' GLU . 32.5 p -61.23 -24.47 66.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.021 0.438 . . . . 0.0 111.697 -179.091 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' H' H ' 10' ' ' HIS . . . . . 0.421 ' HA ' ' HG3' ' H' ' 13' ' ' GLU . 97.2 m-70 -98.79 -17.04 18.68 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.934 -179.248 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' H' H ' 11' ' ' LEU . . . . . 0.68 HD11 ' HB2' ' G' ' 7' ' ' CYS . 71.5 mt -73.67 -39.64 64.29 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 177.607 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' H' H ' 12' ' ' VAL . . . . . 0.482 HG22 ' O ' ' H' ' 8' ' ' GLY . 3.0 m -68.96 -28.57 40.07 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.305 179.255 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' H' H ' 13' ' ' GLU . . . . . 0.978 ' HG2' ' HB2' ' F' ' 9' ' ' SER . 39.1 mt-10 -57.73 -47.47 82.33 Favored 'General case' 0 CA--C 1.522 -0.118 0 CA-C-O 121.181 0.515 . . . . 0.0 109.743 179.527 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' H' H ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.13 -29.87 60.65 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.944 179.339 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' H' H ' 15' ' ' LEU . . . . . 0.48 HD12 ' HA ' ' H' ' 12' ' ' VAL . 13.6 mt -55.74 -59.01 5.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.8 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' H' H ' 16' ' ' TYR . . . . . 0.946 ' HB3' ' HE2' ' H' ' 24' ' ' PHE . 8.6 p90 -76.68 -17.57 59.05 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 119.832 -0.747 . . . . 0.0 110.95 -179.263 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' H' H ' 17' ' ' LEU . . . . . 0.458 ' HB2' ' O ' ' H' ' 13' ' ' GLU . 8.9 tp -66.14 -43.12 87.98 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 178.807 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 74.8 t -78.73 -45.0 25.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 114.876 -1.056 . . . . 0.0 109.097 178.115 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' H' H ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -84.76 51.47 2.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.068 -0.969 . . . . 0.0 110.31 179.589 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' H' H ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.1 127.98 38.98 Favored Glycine 0 N--CA 1.448 -0.515 0 CA-C-N 115.443 -0.799 . . . . 0.0 113.477 -178.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' H' H ' 21' ' ' GLU . . . . . 0.533 ' HA ' ' O ' ' F' ' 28' ' ' PRO . 53.1 mt-10 62.06 30.49 17.89 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 179.254 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' H' H ' 22' ' ' ARG . . . . . . . . . . . . . 17.6 mtt180 -119.15 -103.85 0.41 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 177.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' H' H ' 23' ' ' GLY . . . . . 0.48 ' HA2' ' HD3' ' F' ' 28' ' ' PRO . . . 156.94 147.36 4.75 Favored Glycine 0 N--CA 1.442 -0.917 0 N-CA-C 111.523 -0.631 . . . . 0.0 111.523 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' H' H ' 24' ' ' PHE . . . . . 0.946 ' HE2' ' HB3' ' H' ' 16' ' ' TYR . 30.5 p90 -146.67 179.38 7.6 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.791 0.329 . . . . 0.0 110.177 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' H' H ' 25' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -129.21 151.5 49.81 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.532 178.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' H' H ' 26' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -141.12 124.32 16.47 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.055 0.455 . . . . 0.0 110.989 -179.653 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' H' H ' 27' ' ' THR . . . . . . . . . . . . . 10.8 p -119.38 111.91 36.21 Favored Pre-proline 0 C--N 1.319 -0.731 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.806 179.437 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' H' H ' 28' ' ' PRO . . . . . 0.544 ' HA ' ' OE1' ' H' ' 4' ' ' GLN . 9.9 Cg_exo -71.87 70.65 2.83 Favored 'Trans proline' 0 N--CA 1.464 -0.248 0 C-N-CA 123.151 2.567 . . . . 0.0 111.341 -179.756 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' H' H ' 29' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -121.75 172.4 8.17 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.231 -179.27 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' H' H ' 30' ' ' THR . . . . . . . . . . . . . 14.7 t . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.787 -0.625 . . . . 0.0 109.549 179.882 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' I' I ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.008 0 N-CA-C 112.326 -0.31 . . . . 0.0 112.326 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' I' I ' 2' ' ' ILE . . . . . . . . . . . . . 7.0 tt -163.28 -43.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.36 0.124 . . . . 0.0 110.913 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' I' I ' 3' ' ' VAL . . . . . 0.579 HG11 ' CD ' ' J' ' 4' ' ' GLN . 44.8 t -70.81 -75.66 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.642 0.258 . . . . 0.0 111.442 -179.298 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' I' I ' 4' ' ' GLU . . . . . . . . . . . . . 74.4 tt0 -56.85 -34.43 67.78 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.941 0.4 . . . . 0.0 110.485 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' I' I ' 5' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -55.87 -38.99 70.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.439 179.402 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' I' I ' 6' ' ' CYS . . . . . . . . . . . . . 71.6 m -102.33 -27.89 12.57 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -179.083 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' I' I ' 7' ' ' CYS . . . . . 0.686 ' HB2' HD11 ' J' ' 11' ' ' LEU . 42.3 t -84.69 41.06 0.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.489 0.661 . . . . 0.0 110.925 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' I' I ' 8' ' ' THR . . . . . . . . . . . . . 7.7 t -127.18 -42.5 1.7 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 178.015 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' I' I ' 9' ' ' SER . . . . . 0.441 ' O ' ' HB ' ' I' ' 10' ' ' ILE . 72.5 m -160.01 20.47 0.16 Allowed 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 120.618 0.247 . . . . 0.0 110.566 179.111 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' I' I ' 10' ' ' ILE . . . . . 0.567 HG12 ' HB3' ' B' ' 5' ' ' HIS . 1.9 mp 72.44 138.37 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 C-N-CA 123.335 0.654 . . . . 0.0 111.471 -179.593 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' I' I ' 11' ' ' CYS . . . . . . . . . . . . . 99.1 m -93.18 175.53 6.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.992 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' I' I ' 12' ' ' SER . . . . . . . . . . . . . 10.4 m -79.48 162.05 25.68 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.908 179.013 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' I' I ' 13' ' ' LEU . . . . . 0.44 HD22 ' HA ' ' I' ' 13' ' ' LEU . 1.0 OUTLIER -61.22 -56.47 20.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.136 -179.344 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -66.52 -17.24 64.7 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.846 0.355 . . . . 0.0 111.411 -179.659 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -71.95 -31.86 66.73 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.765 -0.458 . . . . 0.0 109.765 179.33 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' I' I ' 16' ' ' LEU . . . . . . . . . . . . . 96.0 mt -74.81 -30.56 61.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.602 178.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' I' I ' 17' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -63.61 -15.23 57.62 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.881 -0.6 . . . . 0.0 112.058 -179.679 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' I' I ' 18' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -72.78 -14.19 61.48 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.956 0.407 . . . . 0.0 110.685 179.662 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' I' I ' 19' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -104.76 16.28 26.3 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.356 0.598 . . . . 0.0 110.799 -178.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' I' I ' 20' ' ' CYS . . . . . . . . . . . . . 11.3 m -92.07 155.31 18.16 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.254 179.312 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' I' I ' 21' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 . . . . . 0 C--O 1.246 0.892 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.568 178.918 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' J' J ' 1' ' ' PHE . . . . . . . . . . . . . 66.2 t80 . . . . . 0 N--CA 1.484 1.262 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' J' J ' 2' ' ' VAL . . . . . 0.515 ' HB ' HD11 ' E' ' 10' ' ' ILE . 10.7 m -115.77 170.1 5.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 C-N-CA 120.476 -0.489 . . . . 0.0 110.998 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' J' J ' 3' ' ' ASN . . . . . 0.557 ' H ' ' CD1' ' E' ' 10' ' ' ILE . 3.1 t-20 -105.75 -171.0 1.82 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.57 -178.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' J' J ' 4' ' ' GLN . . . . . 0.579 ' CD ' HG11 ' I' ' 3' ' ' VAL . 5.2 tt0 -52.2 -34.87 47.34 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 122.952 0.501 . . . . 0.0 111.2 179.368 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' J' J ' 5' ' ' HIS . . . . . 0.549 ' HB3' HG12 ' E' ' 10' ' ' ILE . 25.3 t60 -54.65 -18.28 4.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.74 -0.664 . . . . 0.0 112.554 -178.862 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' J' J ' 6' ' ' LEU . . . . . . . . . . . . . 33.7 mt -124.84 -14.52 6.68 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.964 0.411 . . . . 0.0 110.995 178.659 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' J' J ' 7' ' ' CYS . . . . . 0.414 ' HB3' ' HA ' ' J' ' 4' ' ' GLN . 23.3 t -86.5 -40.8 14.93 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.945 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' J' J ' 8' ' ' GLY . . . . . 0.502 ' O ' HG22 ' J' ' 12' ' ' VAL . . . -60.2 -30.3 70.46 Favored Glycine 0 N--CA 1.451 -0.329 0 CA-C-N 116.112 -0.495 . . . . 0.0 113.896 -179.082 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' J' J ' 9' ' ' SER . . . . . 0.981 ' HB2' ' HG2' ' L' ' 13' ' ' GLU . 25.9 p -61.59 -24.18 66.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.865 0.364 . . . . 0.0 111.499 -179.211 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' J' J ' 10' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -98.91 -17.08 18.55 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.055 0.455 . . . . 0.0 111.008 -179.277 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' J' J ' 11' ' ' LEU . . . . . 0.686 HD11 ' HB2' ' I' ' 7' ' ' CYS . 73.5 mt -73.87 -39.11 64.18 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.656 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' J' J ' 12' ' ' VAL . . . . . 0.502 HG22 ' O ' ' J' ' 8' ' ' GLY . 3.0 m -69.43 -28.41 38.07 Favored 'Isoleucine or valine' 0 C--O 1.232 0.158 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.386 179.15 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' J' J ' 13' ' ' GLU . . . . . 0.967 ' HG2' ' HB2' ' L' ' 9' ' ' SER . 40.8 mt-10 -57.99 -47.11 83.96 Favored 'General case' 0 CA--C 1.522 -0.134 0 CA-C-O 121.164 0.507 . . . . 0.0 109.853 179.351 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' J' J ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.4 -29.87 59.92 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.754 179.407 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' J' J ' 15' ' ' LEU . . . . . 0.468 HD12 ' HA ' ' J' ' 12' ' ' VAL . 13.7 mt -55.69 -59.14 5.27 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.76 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' J' J ' 16' ' ' TYR . . . . . 0.971 ' HB3' ' HE2' ' J' ' 24' ' ' PHE . 8.6 p90 -76.64 -17.66 59.03 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 119.932 -0.707 . . . . 0.0 110.955 -179.274 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' J' J ' 17' ' ' LEU . . . . . 0.472 ' HB2' ' O ' ' J' ' 13' ' ' GLU . 8.8 tp -66.54 -41.6 88.46 Favored 'General case' 0 C--O 1.232 0.179 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 178.743 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 82.1 t -80.75 -42.72 20.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 114.935 -1.03 . . . . 0.0 109.136 178.16 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' J' J ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -86.49 50.75 2.06 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.122 179.642 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' J' J ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.48 129.55 45.26 Favored Glycine 0 N--CA 1.448 -0.516 0 CA-C-N 115.575 -0.739 . . . . 0.0 113.259 -179.05 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' J' J ' 21' ' ' GLU . . . . . 0.522 ' HA ' ' O ' ' L' ' 28' ' ' PRO . 53.1 mt-10 59.63 30.34 19.96 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 179.29 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' J' J ' 22' ' ' ARG . . . . . . . . . . . . . 16.0 mtt180 -118.4 -104.09 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 177.796 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' J' J ' 23' ' ' GLY . . . . . 0.484 ' HA2' ' HD3' ' L' ' 28' ' ' PRO . . . 157.2 147.24 4.72 Favored Glycine 0 N--CA 1.444 -0.786 0 N-CA-C 111.539 -0.625 . . . . 0.0 111.539 179.561 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' J' J ' 24' ' ' PHE . . . . . 0.971 ' HE2' ' HB3' ' J' ' 16' ' ' TYR . 31.2 p90 -145.69 -179.51 6.73 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' J' J ' 25' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -130.41 150.86 51.45 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 178.782 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' J' J ' 26' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -140.54 125.24 18.07 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.124 0.487 . . . . 0.0 110.877 -179.669 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' J' J ' 27' ' ' THR . . . . . . . . . . . . . 12.8 p -120.45 111.86 34.63 Favored Pre-proline 0 C--N 1.32 -0.686 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.038 179.199 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' J' J ' 28' ' ' PRO . . . . . 0.574 ' HA ' ' OE1' ' J' ' 4' ' ' GLN . 8.9 Cg_exo -71.55 70.34 2.64 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 123.307 2.671 . . . . 0.0 111.438 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' J' J ' 29' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -121.54 172.92 7.73 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.039 -179.431 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' J' J ' 30' ' ' THR . . . . . . . . . . . . . 14.5 t . . . . . 0 C--O 1.25 1.128 0 CA-C-O 118.874 -0.584 . . . . 0.0 109.68 179.818 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.738 0 N-CA-C 112.184 -0.366 . . . . 0.0 112.184 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' K' K ' 2' ' ' ILE . . . . . . . . . . . . . 6.6 tt -164.2 -42.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-O 121.109 0.481 . . . . 0.0 110.968 179.52 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' K' K ' 3' ' ' VAL . . . . . 0.598 HG11 ' CD ' ' L' ' 4' ' ' GLN . 46.4 t -72.32 -73.93 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.565 -179.271 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' K' K ' 4' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -58.46 -33.81 70.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.02 0.438 . . . . 0.0 110.593 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' K' K ' 5' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -56.39 -38.45 71.49 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.533 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' K' K ' 6' ' ' CYS . . . . . . . . . . . . . 72.7 m -102.84 -27.48 12.64 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.135 0.421 . . . . 0.0 112.135 -179.096 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' K' K ' 7' ' ' CYS . . . . . 0.675 ' HB2' HD11 ' L' ' 11' ' ' LEU . 42.7 t -85.43 41.72 0.91 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.374 0.607 . . . . 0.0 110.849 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' K' K ' 8' ' ' THR . . . . . . . . . . . . . 7.8 t -127.69 -43.92 1.53 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 178.054 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' K' K ' 9' ' ' SER . . . . . 0.445 ' O ' ' HB ' ' K' ' 10' ' ' ILE . 64.5 m -158.49 20.08 0.22 Allowed 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.761 -0.2 . . . . 0.0 110.749 179.09 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' K' K ' 10' ' ' ILE . . . . . 0.563 HG12 ' HB3' ' H' ' 5' ' ' HIS . 1.9 mp 72.99 136.87 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 C-N-CA 123.287 0.635 . . . . 0.0 111.243 -179.53 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' K' K ' 11' ' ' CYS . . . . . . . . . . . . . 98.6 m -91.46 175.75 6.81 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.185 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' K' K ' 12' ' ' SER . . . . . . . . . . . . . 11.3 m -79.95 163.09 24.55 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.926 178.79 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' K' K ' 13' ' ' LEU . . . . . 0.44 HD22 ' HA ' ' K' ' 13' ' ' LEU . 1.0 OUTLIER -62.02 -55.78 25.69 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.719 0.295 . . . . 0.0 111.42 -179.129 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -66.9 -19.1 65.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.928 0.394 . . . . 0.0 111.073 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -69.49 -32.59 71.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.057 179.118 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' K' K ' 16' ' ' LEU . . . . . . . . . . . . . 96.1 mt -74.41 -30.68 62.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.6 178.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' K' K ' 17' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -63.09 -16.76 61.03 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.924 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' K' K ' 18' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -72.05 -11.6 60.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.831 0.348 . . . . 0.0 110.827 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' K' K ' 19' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -107.16 15.81 24.76 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.226 0.536 . . . . 0.0 110.694 -179.068 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' K' K ' 20' ' ' CYS . . . . . . . . . . . . . 11.4 m -92.28 155.34 18.02 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.459 -0.792 . . . . 0.0 111.174 179.53 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' K' K ' 21' ' ' ASN . . . . . . . . . . . . . 18.0 m120 . . . . . 0 C--O 1.248 0.979 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.914 179.191 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' L' L ' 1' ' ' PHE . . . . . . . . . . . . . 66.5 t80 . . . . . 0 N--CA 1.483 1.179 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' L' L ' 2' ' ' VAL . . . . . 0.499 ' HB ' HD11 ' C' ' 10' ' ' ILE . 10.2 m -115.08 171.56 4.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.912 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' L' L ' 3' ' ' ASN . . . . . 0.566 ' H ' ' CD1' ' C' ' 10' ' ' ILE . 3.8 t-20 -106.65 -170.16 1.67 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.433 -179.145 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' L' L ' 4' ' ' GLN . . . . . 0.598 ' CD ' HG11 ' K' ' 3' ' ' VAL . 5.5 tt0 -52.94 -34.75 56.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.169 179.307 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' L' L ' 5' ' ' HIS . . . . . 0.576 ' HB3' HG12 ' C' ' 10' ' ' ILE . 23.3 t60 -54.43 -18.87 4.67 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.54 -0.754 . . . . 0.0 112.689 -178.782 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' L' L ' 6' ' ' LEU . . . . . . . . . . . . . 36.0 mt -124.59 -14.53 6.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.836 0.351 . . . . 0.0 111.077 178.658 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' L' L ' 7' ' ' CYS . . . . . 0.421 ' HB3' ' HA ' ' L' ' 4' ' ' GLN . 19.4 t -86.34 -40.53 15.36 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.907 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' L' L ' 8' ' ' GLY . . . . . 0.5 ' O ' HG22 ' L' ' 12' ' ' VAL . . . -60.72 -30.05 71.58 Favored Glycine 0 N--CA 1.452 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 113.862 -179.006 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' L' L ' 9' ' ' SER . . . . . 0.967 ' HB2' ' HG2' ' J' ' 13' ' ' GLU . 25.1 p -61.65 -24.31 66.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.924 0.392 . . . . 0.0 111.521 -179.223 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' L' L ' 10' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -98.94 -16.82 18.63 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.95 -179.222 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' L' L ' 11' ' ' LEU . . . . . 0.675 HD11 ' HB2' ' K' ' 7' ' ' CYS . 71.3 mt -74.14 -38.92 63.61 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.301 -0.999 . . . . 0.0 108.301 177.652 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' L' L ' 12' ' ' VAL . . . . . 0.5 HG22 ' O ' ' L' ' 8' ' ' GLY . 2.9 m -69.63 -28.3 37.01 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.383 179.235 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' L' L ' 13' ' ' GLU . . . . . 0.981 ' HG2' ' HB2' ' J' ' 9' ' ' SER . 40.8 mt-10 -58.07 -47.17 83.98 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-O 121.158 0.504 . . . . 0.0 109.716 179.191 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' L' L ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.91 -30.68 61.34 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.648 179.248 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' L' L ' 15' ' ' LEU . . . . . 0.468 HD12 ' HA ' ' L' ' 12' ' ' VAL . 14.0 mt -54.98 -59.28 4.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.925 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' L' L ' 16' ' ' TYR . . . . . 0.978 ' HB3' ' HE2' ' L' ' 24' ' ' PHE . 8.7 p90 -76.88 -17.37 59.0 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 119.862 -0.735 . . . . 0.0 110.916 -179.087 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' L' L ' 17' ' ' LEU . . . . . 0.471 ' HB2' ' O ' ' L' ' 13' ' ' GLU . 9.1 tp -65.95 -44.41 85.1 Favored 'General case' 0 C--O 1.232 0.149 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 178.567 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 78.4 t -77.98 -42.28 27.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 114.794 -1.094 . . . . 0.0 109.593 178.187 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' L' L ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -87.24 50.78 2.07 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.145 179.73 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' L' L ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.61 128.55 43.49 Favored Glycine 0 N--CA 1.447 -0.607 0 CA-C-N 115.446 -0.797 . . . . 0.0 113.418 -178.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' L' L ' 21' ' ' GLU . . . . . 0.523 ' HA ' ' O ' ' J' ' 28' ' ' PRO . 52.3 mt-10 61.35 28.82 18.21 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.84 0.682 . . . . 0.0 112.84 179.166 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' L' L ' 22' ' ' ARG . . . . . . . . . . . . . 17.9 mtt180 -117.37 -104.12 0.41 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 178.083 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' L' L ' 23' ' ' GLY . . . . . 0.456 ' HA2' ' HD3' ' J' ' 28' ' ' PRO . . . 157.49 147.14 4.7 Favored Glycine 0 N--CA 1.444 -0.802 0 N-CA-C 111.332 -0.707 . . . . 0.0 111.332 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' L' L ' 24' ' ' PHE . . . . . 0.978 ' HE2' ' HB3' ' L' ' 16' ' ' TYR . 30.5 p90 -146.55 178.75 8.05 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.858 0.361 . . . . 0.0 110.322 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' L' L ' 25' ' ' PHE . . . . . . . . . . . . . 5.6 p90 -128.92 150.94 50.16 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.672 178.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' L' L ' 26' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -140.44 125.54 18.53 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.872 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' L' L ' 27' ' ' THR . . . . . 0.433 ' HA ' ' HD3' ' L' ' 28' ' ' PRO . 11.7 p -120.78 111.66 34.26 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.853 179.348 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' L' L ' 28' ' ' PRO . . . . . 0.551 ' HA ' ' OE1' ' L' ' 4' ' ' GLN . 9.2 Cg_exo -71.34 69.61 2.56 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 123.403 2.736 . . . . 0.0 111.619 -179.761 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' L' L ' 29' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt . . . . . 0 C--N 1.32 -0.702 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.053 -179.349 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.599 0 N-CA-C 112.066 -0.414 . . . . 0.0 112.066 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.537 HD11 HD11 ' B' ' 15' ' ' LEU . 13.3 tt -139.49 -38.12 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 CA-C-N 116.946 0.373 . . . . 0.0 111.792 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.549 HG11 ' HA ' ' B' ' 28' ' ' PRO . 14.1 m -67.49 -50.81 58.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -179.059 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -75.53 -10.39 59.41 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.741 0.305 . . . . 0.0 111.505 179.608 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -90.46 -36.27 14.64 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.857 0.36 . . . . 0.0 110.866 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 81.1 m -104.27 -34.78 8.22 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 -178.069 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.497 ' HB2' HD11 ' B' ' 11' ' ' LEU . 8.2 t -86.1 35.88 0.66 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.32 0.581 . . . . 0.0 110.818 -179.648 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.514 ' C ' HG13 ' F' ' 2' ' ' VAL . 5.7 t -119.37 -62.73 1.47 Allowed 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 178.268 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.499 ' H ' HG23 ' A' ' 8' ' ' THR . 53.5 m -135.72 21.48 3.33 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 121.496 -0.753 . . . . 0.0 110.644 178.174 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.537 HD12 HG12 ' F' ' 2' ' ' VAL . 2.7 mp 76.0 136.51 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 C-N-CA 123.563 0.745 . . . . 0.0 110.358 -178.638 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 47.1 m -91.38 173.21 8.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.974 0.416 . . . . 0.0 111.051 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.592 ' HB3' ' HG3' ' A' ' 15' ' ' GLN . 43.2 t -86.38 152.19 22.92 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 177.676 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.3 tt -60.02 -32.98 71.4 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.132 0.491 . . . . 0.0 110.044 -179.64 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -73.15 -30.8 63.84 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.064 179.666 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.592 ' HG3' ' HB3' ' A' ' 12' ' ' SER . 87.6 mt-30 -70.41 -33.18 71.05 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.951 179.775 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 77.5 mt -67.47 -28.46 67.88 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.924 0.392 . . . . 0.0 110.705 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.668 ' HA ' ' SG ' ' A' ' 20' ' ' CYS . 67.4 tt0 -72.49 -13.07 61.34 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 121.094 0.473 . . . . 0.0 110.494 179.583 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.488 ' HB2' ' O ' ' A' ' 15' ' ' GLN . 3.9 m120 -69.86 -16.51 63.26 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.274 178.669 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -107.35 7.76 29.32 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.234 -179.035 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.668 ' SG ' ' HA ' ' A' ' 17' ' ' GLU . 87.4 m -76.32 83.02 3.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.887 0.375 . . . . 0.0 111.77 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 . . . . . 0 C--O 1.248 0.976 0 CA-C-O 118.297 -0.858 . . . . 0.0 111.125 178.57 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 18.9 t80 . . . . . 0 N--CA 1.482 1.125 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 2' ' ' VAL . . . . . 0.639 ' HB ' ' CD1' ' B' ' 6' ' ' LEU . 13.9 m -65.51 102.29 0.42 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 CA-C-O 121.353 0.596 . . . . 0.0 110.776 179.737 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 3' ' ' ASN . . . . . 0.557 ' O ' ' HB3' ' B' ' 7' ' ' CYS . 45.3 t30 -164.72 -68.49 0.04 OUTLIER 'General case' 0 C--O 1.214 -0.797 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.313 -179.242 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -54.12 -46.67 72.23 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.027 0.442 . . . . 0.0 111.808 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 51.9 t60 -81.08 -2.26 47.5 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -178.287 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.639 ' CD1' ' HB ' ' B' ' 2' ' ' VAL . 24.2 mt -116.12 -27.57 6.86 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.309 0.576 . . . . 0.0 110.7 179.34 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 7' ' ' CYS . . . . . 0.557 ' HB3' ' O ' ' B' ' 3' ' ' ASN . 0.0 OUTLIER -92.16 -36.69 13.15 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.112 -178.543 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.49 -33.85 59.33 Favored Glycine 0 C--N 1.334 0.46 0 C-N-CA 121.225 -0.512 . . . . 0.0 113.178 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 9' ' ' SER . . . . . 0.838 ' HB2' ' HG2' ' D' ' 13' ' ' GLU . 83.2 p -67.54 -11.82 58.91 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.955 0.407 . . . . 0.0 111.905 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 10' ' ' HIS . . . . . 0.704 ' HA ' ' HG3' ' B' ' 13' ' ' GLU . 99.0 m-70 -110.96 -15.65 13.71 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.809 -179.551 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.497 HD11 ' HB2' ' A' ' 7' ' ' CYS . 19.6 mt -72.02 -32.2 66.93 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 177.562 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.631 ' HA ' ' HB2' ' B' ' 15' ' ' LEU . 1.3 m -68.19 -27.95 39.02 Favored 'Isoleucine or valine' 0 C--O 1.232 0.136 0 CA-C-N 114.896 -1.047 . . . . 0.0 111.166 179.021 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.858 ' HG2' ' HB2' ' D' ' 9' ' ' SER . 18.3 mt-10 -61.52 -38.44 87.41 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 178.753 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -80.36 -30.14 37.95 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 114.88 -1.055 . . . . 0.0 110.414 178.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.631 ' HB2' ' HA ' ' B' ' 12' ' ' VAL . 11.2 mt -59.73 -61.79 2.36 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.926 179.736 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 16' ' ' TYR . . . . . 0.957 ' HB3' ' HE2' ' B' ' 24' ' ' PHE . 2.4 p90 -73.6 -4.32 33.37 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 119.848 -0.741 . . . . 0.0 110.691 -179.141 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.482 ' HB2' ' O ' ' B' ' 13' ' ' GLU . 9.1 tt -77.85 -45.83 23.17 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 177.524 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 91.4 t -73.58 -44.01 53.98 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.975 178.787 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 75.1 m -67.38 -27.27 66.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.511 179.43 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.14 -100.95 0.62 Allowed Glycine 0 C--N 1.332 0.308 0 CA-C-N 116.046 -0.525 . . . . 0.0 113.005 179.297 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.733 ' HB2' ' HD2' ' D' ' 29' ' ' LYS . 16.9 pt-20 -91.8 -14.62 29.52 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.054 0.454 . . . . 0.0 110.429 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 86.2 mtm180 -77.14 140.58 40.26 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.131 179.086 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 23' ' ' GLY . . . . . 0.613 ' HA2' ' HD3' ' D' ' 28' ' ' PRO . . . -85.32 -177.87 50.67 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.722 -0.752 . . . . 0.0 111.574 179.525 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 24' ' ' PHE . . . . . 0.957 ' HE2' ' HB3' ' B' ' 16' ' ' TYR . 14.9 p90 -154.9 167.46 30.21 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.203 0.525 . . . . 0.0 111.064 179.669 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -114.54 120.31 39.78 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 179.277 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -119.98 120.71 37.13 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.131 0.491 . . . . 0.0 111.603 -178.661 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 1.3 p -116.08 111.23 42.88 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.366 179.033 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 28' ' ' PRO . . . . . 0.586 ' HD3' ' HA2' ' D' ' 23' ' ' GLY . 15.5 Cg_exo -69.29 -10.81 29.93 Favored 'Trans proline' 0 N--CA 1.471 0.163 0 C-N-CA 123.222 2.614 . . . . 0.0 113.819 -178.06 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.694 ' HD2' ' HB2' ' D' ' 21' ' ' GLU . 79.4 tttt -102.45 -11.38 18.63 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.872 0.368 . . . . 0.0 110.991 -179.243 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 30' ' ' THR . . . . . 0.502 ' O ' HG22 ' A' ' 3' ' ' VAL . 58.5 m . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.542 -0.742 . . . . 0.0 110.07 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.62 0 N-CA-C 112.022 -0.431 . . . . 0.0 112.022 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' C' C ' 2' ' ' ILE . . . . . 0.529 HD11 HD11 ' D' ' 15' ' ' LEU . 12.3 tt -140.34 -38.16 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.838 0.351 . . . . 0.0 111.523 -179.734 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 3' ' ' VAL . . . . . 0.572 HG11 ' HA ' ' D' ' 28' ' ' PRO . 13.8 m -67.33 -50.44 62.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 C-N-CA 120.506 -0.477 . . . . 0.0 112.07 -179.327 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 4' ' ' GLU . . . . . 0.408 ' OE1' HG23 ' C' ' 3' ' ' VAL . 3.2 mp0 -76.84 -9.15 58.48 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.708 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -91.05 -36.71 13.88 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.604 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 84.3 m -104.0 -35.31 8.15 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 113.099 0.778 . . . . 0.0 113.099 -178.229 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 7' ' ' CYS . . . . . 0.498 ' HB2' HD11 ' D' ' 11' ' ' LEU . 8.0 t -85.59 36.66 0.66 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.273 0.558 . . . . 0.0 110.813 -179.748 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 8' ' ' THR . . . . . 0.545 HG23 ' H ' ' C' ' 9' ' ' SER . 4.9 t -119.55 -63.74 1.35 Allowed 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 178.255 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 9' ' ' SER . . . . . 0.545 ' H ' HG23 ' C' ' 8' ' ' THR . 62.0 m -135.42 21.35 3.39 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 121.654 -0.653 . . . . 0.0 110.606 178.121 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 10' ' ' ILE . . . . . 0.547 HD12 HG12 ' L' ' 2' ' ' VAL . 2.7 mp 76.4 135.97 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 123.557 0.743 . . . . 0.0 110.426 -179.024 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 53.4 m -90.83 173.07 8.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.191 0.52 . . . . 0.0 111.388 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 12' ' ' SER . . . . . 0.579 ' HB3' ' HG3' ' C' ' 15' ' ' GLN . 40.4 t -86.43 151.11 23.8 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 177.676 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 9.5 tt -59.16 -33.53 71.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.107 0.479 . . . . 0.0 110.218 -179.61 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -72.21 -31.8 66.19 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.91 179.562 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 15' ' ' GLN . . . . . 0.579 ' HG3' ' HB3' ' C' ' 12' ' ' SER . 87.2 mt-30 -69.61 -33.33 72.52 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.097 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 75.2 mt -67.15 -28.81 68.44 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.84 0.352 . . . . 0.0 110.633 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 17' ' ' GLU . . . . . 0.684 ' HA ' ' SG ' ' C' ' 20' ' ' CYS . 68.1 tt0 -71.96 -13.5 61.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.551 179.501 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 18' ' ' ASN . . . . . 0.514 ' HB2' ' O ' ' C' ' 15' ' ' GLN . 3.8 m120 -69.15 -18.48 63.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.109 0.481 . . . . 0.0 110.298 178.754 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -105.82 8.02 32.59 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.27 -178.824 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 20' ' ' CYS . . . . . 0.684 ' SG ' ' HA ' ' C' ' 17' ' ' GLU . 85.9 m -76.53 82.24 3.22 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.795 -179.783 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 . . . . . 0 C--O 1.25 1.087 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.35 178.605 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 16.2 t80 . . . . . 0 N--CA 1.479 0.995 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' D' D ' 2' ' ' VAL . . . . . 0.641 ' HB ' ' CD1' ' D' ' 6' ' ' LEU . 14.3 m -65.29 102.93 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 CA-C-O 121.379 0.609 . . . . 0.0 110.478 179.805 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 3' ' ' ASN . . . . . 0.545 ' O ' ' HB3' ' D' ' 7' ' ' CYS . 46.9 t30 -165.59 -69.59 0.03 OUTLIER 'General case' 0 C--O 1.215 -0.729 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.039 -179.171 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -53.43 -45.93 69.63 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.964 0.412 . . . . 0.0 112.043 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 5' ' ' HIS . . . . . . . . . . . . . 50.9 t60 -81.79 -2.7 51.75 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -178.146 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 6' ' ' LEU . . . . . 0.641 ' CD1' ' HB ' ' D' ' 2' ' ' VAL . 23.5 mt -115.42 -27.52 7.16 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.293 0.568 . . . . 0.0 110.809 179.476 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 7' ' ' CYS . . . . . 0.545 ' HB3' ' O ' ' D' ' 3' ' ' ASN . 0.0 OUTLIER -92.05 -36.85 13.14 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.135 -178.477 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' D' D ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.27 -34.21 58.89 Favored Glycine 0 C--N 1.336 0.561 0 C-N-CA 121.173 -0.537 . . . . 0.0 113.211 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 9' ' ' SER . . . . . 0.858 ' HB2' ' HG2' ' B' ' 13' ' ' GLU . 86.1 p -67.09 -12.39 59.82 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.886 0.374 . . . . 0.0 111.94 -179.689 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 10' ' ' HIS . . . . . 0.711 ' HA ' ' HG3' ' D' ' 13' ' ' GLU . 99.0 m-70 -110.51 -15.99 13.77 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 120.834 0.349 . . . . 0.0 110.877 -179.523 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 11' ' ' LEU . . . . . 0.498 HD11 ' HB2' ' C' ' 7' ' ' CYS . 20.7 mt -71.8 -32.17 67.33 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 177.567 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 12' ' ' VAL . . . . . 0.623 ' HA ' ' HB2' ' D' ' 15' ' ' LEU . 1.5 m -68.18 -28.2 39.99 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 CA-C-N 114.958 -1.019 . . . . 0.0 111.322 178.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 13' ' ' GLU . . . . . 0.838 ' HG2' ' HB2' ' B' ' 9' ' ' SER . 17.6 mt-10 -61.31 -38.49 87.04 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 178.586 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -80.07 -30.67 39.35 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 114.801 -1.09 . . . . 0.0 110.401 179.084 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 15' ' ' LEU . . . . . 0.623 ' HB2' ' HA ' ' D' ' 12' ' ' VAL . 11.1 mt -59.54 -61.97 2.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.97 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 16' ' ' TYR . . . . . 1.012 ' HB3' ' HE2' ' D' ' 24' ' ' PHE . 2.3 p90 -73.01 -5.09 36.5 Favored 'General case' 0 CA--C 1.528 0.103 0 C-N-CA 119.921 -0.712 . . . . 0.0 110.841 -179.333 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 17' ' ' LEU . . . . . 0.476 ' HB2' ' O ' ' D' ' 13' ' ' GLU . 9.0 tt -77.75 -45.82 23.55 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 177.56 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 90.0 t -73.37 -43.64 56.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.867 178.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 19' ' ' CYS . . . . . . . . . . . . . 78.1 m -68.36 -26.76 65.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.66 179.513 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.24 -102.98 0.79 Allowed Glycine 0 N--CA 1.45 -0.374 0 CA-C-N 115.994 -0.548 . . . . 0.0 113.003 179.487 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 21' ' ' GLU . . . . . 0.694 ' HB2' ' HD2' ' B' ' 29' ' ' LYS . 17.3 pt-20 -89.77 -13.57 36.41 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.917 0.389 . . . . 0.0 110.531 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 22' ' ' ARG . . . . . . . . . . . . . 85.4 mtm180 -78.67 140.93 38.31 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.085 179.243 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 23' ' ' GLY . . . . . 0.586 ' HA2' ' HD3' ' B' ' 28' ' ' PRO . . . -85.07 -177.23 50.88 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.508 -0.853 . . . . 0.0 111.62 179.634 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 24' ' ' PHE . . . . . 1.012 ' HE2' ' HB3' ' D' ' 16' ' ' TYR . 14.4 p90 -155.45 167.21 31.13 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.069 0.462 . . . . 0.0 111.031 179.543 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 25' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -114.45 120.62 40.92 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 179.25 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 26' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -120.27 120.47 36.16 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.12 0.486 . . . . 0.0 111.591 -178.653 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 27' ' ' THR . . . . . . . . . . . . . 1.2 p -115.72 111.21 43.68 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.447 178.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 28' ' ' PRO . . . . . 0.613 ' HD3' ' HA2' ' B' ' 23' ' ' GLY . 15.6 Cg_exo -68.76 -10.8 30.15 Favored 'Trans proline' 0 CA--C 1.529 0.252 0 C-N-CA 123.32 2.68 . . . . 0.0 114.015 -178.157 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 29' ' ' LYS . . . . . 0.733 ' HD2' ' HB2' ' B' ' 21' ' ' GLU . 78.6 tttt -103.03 -10.42 18.94 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.902 0.382 . . . . 0.0 111.131 -179.189 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 30' ' ' THR . . . . . 0.538 ' O ' HG22 ' C' ' 3' ' ' VAL . 34.8 m . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.543 -0.742 . . . . 0.0 109.911 179.618 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.657 0 N-CA-C 111.601 -0.6 . . . . 0.0 111.601 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' E' E ' 2' ' ' ILE . . . . . 0.54 HD11 HD11 ' F' ' 15' ' ' LEU . 13.4 tt -137.61 -38.26 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 111.784 0.29 . . . . 0.0 111.784 -179.577 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' E' E ' 3' ' ' VAL . . . . . 0.545 HG11 ' HA ' ' F' ' 28' ' ' PRO . 14.5 m -67.24 -50.17 65.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 120.516 -0.474 . . . . 0.0 112.262 -179.306 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' E' E ' 4' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -76.94 -8.17 56.89 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.8 0.333 . . . . 0.0 111.561 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -92.21 -36.32 13.33 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.746 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 6' ' ' CYS . . . . . . . . . . . . . 81.3 m -104.48 -34.86 8.09 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -178.178 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 7' ' ' CYS . . . . . 0.487 ' HB2' HD11 ' F' ' 11' ' ' LEU . 8.1 t -85.76 35.44 0.62 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.236 0.541 . . . . 0.0 110.741 -179.691 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' E' E ' 8' ' ' THR . . . . . 0.53 HG23 ' H ' ' E' ' 9' ' ' SER . 6.4 t -118.79 -63.6 1.38 Allowed 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 178.482 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' E' E ' 9' ' ' SER . . . . . 0.53 ' H ' HG23 ' E' ' 8' ' ' THR . 56.2 m -135.82 22.2 3.32 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 121.52 -0.738 . . . . 0.0 110.443 178.078 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' E' E ' 10' ' ' ILE . . . . . 0.557 HD12 HG12 ' J' ' 2' ' ' VAL . 2.6 mp 75.73 135.72 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 C-N-CA 123.591 0.756 . . . . 0.0 110.525 -178.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' E' E ' 11' ' ' CYS . . . . . . . . . . . . . 50.5 m -90.1 172.77 8.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.963 0.411 . . . . 0.0 111.081 179.488 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 12' ' ' SER . . . . . 0.585 ' HB3' ' HG3' ' E' ' 15' ' ' GLN . 47.1 t -86.54 152.27 22.77 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 177.504 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 9.3 tt -59.49 -34.15 72.23 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.091 0.472 . . . . 0.0 110.123 -179.409 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -71.86 -31.59 66.62 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.04 179.563 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 15' ' ' GLN . . . . . 0.585 ' HG3' ' HB3' ' E' ' 12' ' ' SER . 86.0 mt-30 -69.86 -33.14 71.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.129 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' E' E ' 16' ' ' LEU . . . . . . . . . . . . . 75.6 mt -67.08 -29.16 68.85 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.849 0.357 . . . . 0.0 110.452 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 17' ' ' GLU . . . . . 0.679 ' HA ' ' SG ' ' E' ' 20' ' ' CYS . 65.9 tt0 -71.81 -12.68 61.41 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.17 0.509 . . . . 0.0 110.721 179.57 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' E' E ' 18' ' ' ASN . . . . . 0.488 ' HB2' ' O ' ' E' ' 15' ' ' GLN . 3.8 m120 -70.52 -16.82 62.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.209 178.614 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' E' E ' 19' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -106.75 7.15 30.23 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.268 -179.054 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 20' ' ' CYS . . . . . 0.679 ' SG ' ' HA ' ' E' ' 17' ' ' GLU . 84.6 m -75.98 83.02 2.86 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.686 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' E' E ' 21' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.316 -0.849 . . . . 0.0 111.124 178.616 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' F' F ' 1' ' ' PHE . . . . . . . . . . . . . 18.1 t80 . . . . . 0 N--CA 1.479 1.013 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' F' F ' 2' ' ' VAL . . . . . 0.639 ' HB ' ' CD1' ' F' ' 6' ' ' LEU . 13.2 m -65.34 102.62 0.42 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-O 121.392 0.615 . . . . 0.0 110.853 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' F' F ' 3' ' ' ASN . . . . . 0.54 ' O ' ' HB3' ' F' ' 7' ' ' CYS . 46.7 t30 -164.94 -68.88 0.04 OUTLIER 'General case' 0 C--O 1.212 -0.869 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.312 -179.299 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' F' F ' 4' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -53.66 -46.8 70.7 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.867 0.365 . . . . 0.0 111.754 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 5' ' ' HIS . . . . . . . . . . . . . 52.6 t60 -80.55 -3.15 49.13 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.5 0.556 . . . . 0.0 112.5 -178.234 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 6' ' ' LEU . . . . . 0.639 ' CD1' ' HB ' ' F' ' 2' ' ' VAL . 23.5 mt -115.17 -27.68 7.21 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.314 0.578 . . . . 0.0 110.726 179.598 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' F' F ' 7' ' ' CYS . . . . . 0.54 ' HB3' ' O ' ' F' ' 3' ' ' ASN . 0.0 OUTLIER -92.1 -36.68 13.2 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.12 -178.297 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' F' F ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.86 -33.48 60.17 Favored Glycine 0 C--N 1.334 0.46 0 C-N-CA 121.264 -0.494 . . . . 0.0 113.07 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 9' ' ' SER . . . . . 0.826 ' HB2' ' HG2' ' H' ' 13' ' ' GLU . 86.2 p -67.39 -12.65 60.76 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.951 0.405 . . . . 0.0 111.788 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' F' F ' 10' ' ' HIS . . . . . 0.705 ' HA ' ' HG3' ' F' ' 13' ' ' GLU . 99.0 m-70 -110.33 -16.05 13.81 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.886 -179.572 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' F' F ' 11' ' ' LEU . . . . . 0.487 HD11 ' HB2' ' E' ' 7' ' ' CYS . 19.8 mt -71.71 -31.76 67.07 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 177.699 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' F' F ' 12' ' ' VAL . . . . . 0.608 ' HA ' ' HB2' ' F' ' 15' ' ' LEU . 1.4 m -68.52 -28.01 38.64 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-N 114.927 -1.033 . . . . 0.0 111.071 179.003 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' F' F ' 13' ' ' GLU . . . . . 0.837 ' HG2' ' HB2' ' H' ' 9' ' ' SER . 18.8 mt-10 -61.53 -38.47 87.53 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 178.783 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' F' F ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.98 -30.14 39.65 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 114.955 -1.02 . . . . 0.0 110.392 178.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 15' ' ' LEU . . . . . 0.608 ' HB2' ' HA ' ' F' ' 12' ' ' VAL . 11.2 mt -59.79 -61.64 2.46 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.011 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' F' F ' 16' ' ' TYR . . . . . 1.001 ' HB3' ' HE2' ' F' ' 24' ' ' PHE . 2.4 p90 -73.51 -4.51 34.29 Favored 'General case' 0 C--N 1.333 -0.131 0 C-N-CA 119.877 -0.729 . . . . 0.0 110.819 -179.298 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' F' F ' 17' ' ' LEU . . . . . 0.47 ' HB2' ' O ' ' F' ' 13' ' ' GLU . 8.9 tt -77.98 -45.75 22.98 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 177.451 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 85.4 t -73.5 -44.9 53.14 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.749 178.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 19' ' ' CYS . . . . . . . . . . . . . 77.6 m -66.5 -27.32 67.68 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.724 179.357 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.14 -102.58 0.8 Allowed Glycine 0 C--N 1.331 0.29 0 CA-C-N 115.985 -0.552 . . . . 0.0 112.706 179.569 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 21' ' ' GLU . . . . . 0.69 ' HB2' ' HD2' ' H' ' 29' ' ' LYS . 16.9 pt-20 -90.5 -13.29 34.99 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.095 0.474 . . . . 0.0 110.706 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' F' F ' 22' ' ' ARG . . . . . . . . . . . . . 85.6 mtm180 -78.55 140.21 38.55 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.245 179.202 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 23' ' ' GLY . . . . . 0.59 ' HA2' ' HD3' ' H' ' 28' ' ' PRO . . . -84.87 -177.89 51.06 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.472 -0.87 . . . . 0.0 111.696 179.577 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' F' F ' 24' ' ' PHE . . . . . 1.001 ' HE2' ' HB3' ' F' ' 16' ' ' TYR . 13.8 p90 -154.98 167.39 30.5 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.17 0.51 . . . . 0.0 111.052 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' F' F ' 25' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -114.96 119.44 36.53 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 179.527 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 26' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -119.01 121.04 39.0 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.203 0.525 . . . . 0.0 111.592 -178.666 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 27' ' ' THR . . . . . 0.447 ' HA ' ' HD3' ' F' ' 28' ' ' PRO . 1.2 p -116.33 111.38 42.23 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 115.177 -0.92 . . . . 0.0 109.258 178.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' F' F ' 28' ' ' PRO . . . . . 0.624 ' HD3' ' HA2' ' H' ' 23' ' ' GLY . 16.4 Cg_exo -69.34 -11.2 30.84 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 123.341 2.694 . . . . 0.0 113.907 -177.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' F' F ' 29' ' ' LYS . . . . . 0.768 ' HD2' ' HB2' ' H' ' 21' ' ' GLU . 77.8 tttt -102.44 -12.56 17.76 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.821 -0.351 . . . . 0.0 110.737 -179.239 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' F' F ' 30' ' ' THR . . . . . 0.522 ' O ' HG22 ' E' ' 3' ' ' VAL . 26.5 m . . . . . 0 C--O 1.248 0.981 0 CA-C-O 118.68 -0.676 . . . . 0.0 110.088 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' G' G ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.438 0 N-CA-C 111.729 -0.548 . . . . 0.0 111.729 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' G' G ' 2' ' ' ILE . . . . . 0.552 HD11 HD11 ' H' ' 15' ' ' LEU . 13.4 tt -138.74 -38.91 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.87 0.335 . . . . 0.0 111.543 -179.553 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' G' G ' 3' ' ' VAL . . . . . 0.569 HG22 ' O ' ' H' ' 30' ' ' THR . 15.3 m -67.34 -49.51 71.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 C-N-CA 120.309 -0.557 . . . . 0.0 112.269 -179.206 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' G' G ' 4' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -77.05 -8.93 58.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 122.109 -0.369 . . . . 0.0 111.51 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' G' G ' 5' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -91.59 -36.81 13.46 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 120.966 0.412 . . . . 0.0 110.706 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' G' G ' 6' ' ' CYS . . . . . . . . . . . . . 84.0 m -103.69 -35.07 8.38 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 113.232 0.827 . . . . 0.0 113.232 -178.243 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' G' G ' 7' ' ' CYS . . . . . 0.482 ' HB2' HD11 ' H' ' 11' ' ' LEU . 8.0 t -85.68 36.26 0.65 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.385 0.612 . . . . 0.0 110.877 -179.749 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' G' G ' 8' ' ' THR . . . . . 0.544 HG23 ' H ' ' G' ' 9' ' ' SER . 5.8 t -119.37 -63.87 1.34 Allowed 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 178.458 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' G' G ' 9' ' ' SER . . . . . 0.544 ' H ' HG23 ' G' ' 8' ' ' THR . 54.9 m -136.48 24.17 3.18 Favored 'General case' 0 C--N 1.322 -0.595 0 O-C-N 121.684 -0.635 . . . . 0.0 110.46 177.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' G' G ' 10' ' ' ILE . . . . . 0.541 HD12 HG12 ' D' ' 2' ' ' VAL . 2.8 mp 74.11 137.32 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.682 -179.164 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' G' G ' 11' ' ' CYS . . . . . . . . . . . . . 47.3 m -91.82 173.65 7.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.249 0.547 . . . . 0.0 111.167 179.656 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' G' G ' 12' ' ' SER . . . . . 0.609 ' HB3' ' HG3' ' G' ' 15' ' ' GLN . 38.1 t -87.06 150.51 23.97 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 177.649 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' G' G ' 13' ' ' LEU . . . . . . . . . . . . . 9.1 tt -58.3 -33.98 70.05 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.053 0.454 . . . . 0.0 110.127 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -72.65 -30.0 63.93 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.248 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' G' G ' 15' ' ' GLN . . . . . 0.609 ' HG3' ' HB3' ' G' ' 12' ' ' SER . 86.9 mt-30 -71.54 -32.53 68.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.985 179.805 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' G' G ' 16' ' ' LEU . . . . . . . . . . . . . 77.6 mt -67.47 -28.92 68.27 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.379 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' G' G ' 17' ' ' GLU . . . . . 0.671 ' HA ' ' SG ' ' G' ' 20' ' ' CYS . 63.3 tt0 -71.83 -14.04 61.86 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-O 121.086 0.47 . . . . 0.0 110.599 179.551 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' G' G ' 18' ' ' ASN . . . . . 0.491 ' HB2' ' O ' ' G' ' 15' ' ' GLN . 3.7 m120 -68.46 -18.58 64.44 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.173 178.531 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' G' G ' 19' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -105.13 6.41 33.13 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.327 -178.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' G' G ' 20' ' ' CYS . . . . . 0.671 ' SG ' ' HA ' ' G' ' 17' ' ' GLU . 88.1 m -74.59 82.76 2.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.837 0.351 . . . . 0.0 111.932 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' G' G ' 21' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.073 -0.965 . . . . 0.0 110.839 178.628 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' H' H ' 1' ' ' PHE . . . . . . . . . . . . . 18.3 t80 . . . . . 0 N--CA 1.482 1.126 0 N-CA-C 110.013 -0.365 . . . . 0.0 110.013 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' H' H ' 2' ' ' VAL . . . . . 0.633 ' HB ' ' CD1' ' H' ' 6' ' ' LEU . 13.7 m -64.39 102.22 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.13 0 CA-C-O 121.315 0.579 . . . . 0.0 110.847 179.58 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' H' H ' 3' ' ' ASN . . . . . 0.549 ' O ' ' HB3' ' H' ' 7' ' ' CYS . 45.6 t30 -165.14 -68.23 0.03 OUTLIER 'General case' 0 C--O 1.212 -0.875 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.265 -179.277 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' H' H ' 4' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -54.3 -46.1 72.69 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.856 0.36 . . . . 0.0 111.75 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' H' H ' 5' ' ' HIS . . . . . . . . . . . . . 51.1 t60 -81.7 -2.41 50.39 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -178.38 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' H' H ' 6' ' ' LEU . . . . . 0.633 ' CD1' ' HB ' ' H' ' 2' ' ' VAL . 24.6 mt -115.61 -27.35 7.14 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.186 0.517 . . . . 0.0 110.649 179.539 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' H' H ' 7' ' ' CYS . . . . . 0.549 ' HB3' ' O ' ' H' ' 3' ' ' ASN . 0.0 OUTLIER -92.5 -36.6 12.98 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.993 -178.408 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' H' H ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.53 -33.97 59.59 Favored Glycine 0 C--N 1.333 0.409 0 C-N-CA 121.234 -0.507 . . . . 0.0 113.061 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' H' H ' 9' ' ' SER . . . . . 0.837 ' HB2' ' HG2' ' F' ' 13' ' ' GLU . 88.6 p -67.32 -12.21 59.58 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.898 0.38 . . . . 0.0 111.899 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' H' H ' 10' ' ' HIS . . . . . 0.707 ' HA ' ' HG3' ' H' ' 13' ' ' GLU . 98.9 m-70 -110.76 -15.66 13.77 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.777 -179.529 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' H' H ' 11' ' ' LEU . . . . . 0.482 HD11 ' HB2' ' G' ' 7' ' ' CYS . 20.3 mt -72.23 -31.6 65.98 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 177.661 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' H' H ' 12' ' ' VAL . . . . . 0.632 ' HA ' ' HB2' ' H' ' 15' ' ' LEU . 1.4 m -68.97 -27.74 36.73 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.19 178.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' H' H ' 13' ' ' GLU . . . . . 0.826 ' HG2' ' HB2' ' F' ' 9' ' ' SER . 17.9 mt-10 -61.53 -38.84 88.88 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 178.562 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' H' H ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.58 -30.76 41.69 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 114.885 -1.052 . . . . 0.0 110.463 178.778 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' H' H ' 15' ' ' LEU . . . . . 0.632 ' HB2' ' HA ' ' H' ' 12' ' ' VAL . 11.0 mt -59.44 -61.76 2.39 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.899 -0.591 . . . . 0.0 112.052 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' H' H ' 16' ' ' TYR . . . . . 0.964 ' HB3' ' HE2' ' H' ' 24' ' ' PHE . 2.3 p90 -73.23 -4.97 36.34 Favored 'General case' 0 C--O 1.227 -0.117 0 C-N-CA 119.817 -0.753 . . . . 0.0 110.886 -179.293 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' H' H ' 17' ' ' LEU . . . . . 0.477 ' HB2' ' O ' ' H' ' 13' ' ' GLU . 9.1 tt -77.48 -46.29 22.95 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 177.584 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 86.7 t -73.31 -42.67 57.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.961 178.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' H' H ' 19' ' ' CYS . . . . . . . . . . . . . 76.0 m -69.32 -26.39 64.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.481 179.515 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' H' H ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.38 -102.4 0.73 Allowed Glycine 0 C--N 1.33 0.214 0 CA-C-N 116.067 -0.515 . . . . 0.0 112.825 179.449 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' H' H ' 21' ' ' GLU . . . . . 0.768 ' HB2' ' HD2' ' F' ' 29' ' ' LYS . 14.9 pt-20 -90.71 -13.59 33.82 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.035 0.445 . . . . 0.0 110.341 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' H' H ' 22' ' ' ARG . . . . . . . . . . . . . 85.2 mtm180 -78.12 138.98 39.01 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.285 179.152 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' H' H ' 23' ' ' GLY . . . . . 0.624 ' HA2' ' HD3' ' F' ' 28' ' ' PRO . . . -83.6 -178.42 51.95 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.726 -0.75 . . . . 0.0 111.623 179.57 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' H' H ' 24' ' ' PHE . . . . . 0.964 ' HE2' ' HB3' ' H' ' 16' ' ' TYR . 15.7 p90 -154.76 167.65 29.51 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.982 0.42 . . . . 0.0 111.135 179.537 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' H' H ' 25' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -114.81 119.77 37.75 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 179.386 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' H' H ' 26' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -119.33 120.86 38.17 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.117 0.484 . . . . 0.0 111.812 -178.741 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' H' H ' 27' ' ' THR . . . . . 0.403 ' HA ' ' HD3' ' H' ' 28' ' ' PRO . 1.2 p -116.13 110.6 43.35 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.368 179.184 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' H' H ' 28' ' ' PRO . . . . . 0.59 ' HD3' ' HA2' ' F' ' 23' ' ' GLY . 16.1 Cg_exo -68.56 -11.38 31.77 Favored 'Trans proline' 0 CA--C 1.528 0.211 0 C-N-CA 123.295 2.663 . . . . 0.0 113.836 -178.173 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' H' H ' 29' ' ' LYS . . . . . 0.69 ' HD2' ' HB2' ' F' ' 21' ' ' GLU . 77.5 tttt -102.02 -11.96 18.52 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.89 0.376 . . . . 0.0 110.937 -179.306 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' H' H ' 30' ' ' THR . . . . . 0.569 ' O ' HG22 ' G' ' 3' ' ' VAL . 50.6 m . . . . . 0 C--O 1.251 1.17 0 CA-C-O 118.438 -0.791 . . . . 0.0 110.526 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' I' I ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.795 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' I' I ' 2' ' ' ILE . . . . . 0.533 HD11 HD11 ' J' ' 15' ' ' LEU . 13.3 tt -138.87 -38.27 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 O-C-N 122.66 -0.318 . . . . 0.0 111.728 -179.637 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' I' I ' 3' ' ' VAL . . . . . 0.565 HG22 ' O ' ' J' ' 30' ' ' THR . 15.5 m -67.89 -49.77 65.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 120.407 -0.517 . . . . 0.0 112.064 -179.106 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' I' I ' 4' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -76.68 -8.74 57.85 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.483 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' I' I ' 5' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -91.72 -37.47 12.99 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.757 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' I' I ' 6' ' ' CYS . . . . . . . . . . . . . 87.6 m -103.19 -34.87 8.67 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 -178.039 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' I' I ' 7' ' ' CYS . . . . . 0.485 ' HB2' HD11 ' J' ' 11' ' ' LEU . 7.9 t -85.73 35.58 0.63 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.231 0.539 . . . . 0.0 110.78 -179.568 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' I' I ' 8' ' ' THR . . . . . 0.514 ' C ' HG13 ' B' ' 2' ' ' VAL . 5.0 t -118.72 -63.8 1.36 Allowed 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 178.34 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' I' I ' 9' ' ' SER . . . . . 0.514 ' H ' HG23 ' I' ' 8' ' ' THR . 40.5 m -134.81 20.08 3.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 121.662 -0.649 . . . . 0.0 110.586 178.279 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' I' I ' 10' ' ' ILE . . . . . 0.555 HD12 HG12 ' B' ' 2' ' ' VAL . 2.6 mp 77.42 137.5 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 123.532 0.733 . . . . 0.0 110.2 -178.865 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' I' I ' 11' ' ' CYS . . . . . . . . . . . . . 55.0 m -92.47 172.17 8.56 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.322 0.582 . . . . 0.0 111.128 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' I' I ' 12' ' ' SER . . . . . 0.534 ' HB3' ' HG3' ' I' ' 15' ' ' GLN . 41.1 t -85.58 151.37 23.96 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 177.784 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' I' I ' 13' ' ' LEU . . . . . . . . . . . . . 9.2 tt -58.85 -33.31 70.29 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.139 0.495 . . . . 0.0 110.361 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -72.96 -31.61 64.67 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.002 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' I' I ' 15' ' ' GLN . . . . . 0.534 ' HG3' ' HB3' ' I' ' 12' ' ' SER . 88.3 mt-30 -69.73 -33.33 72.32 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.197 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' I' I ' 16' ' ' LEU . . . . . . . . . . . . . 77.7 mt -66.48 -29.43 69.54 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.863 0.363 . . . . 0.0 110.58 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' I' I ' 17' ' ' GLU . . . . . 0.69 ' HA ' ' SG ' ' I' ' 20' ' ' CYS . 62.9 tt0 -71.59 -14.08 61.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.623 179.594 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' I' I ' 18' ' ' ASN . . . . . 0.491 ' HB2' ' O ' ' I' ' 15' ' ' GLN . 3.6 m120 -69.29 -16.03 63.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.135 0.493 . . . . 0.0 110.276 178.555 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' I' I ' 19' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -107.92 7.81 28.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.069 -179.11 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' I' I ' 20' ' ' CYS . . . . . 0.69 ' SG ' ' HA ' ' I' ' 17' ' ' GLU . 85.9 m -76.38 82.36 3.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.115 0.483 . . . . 0.0 111.687 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' I' I ' 21' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 . . . . . 0 C--O 1.25 1.124 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.606 178.462 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' J' J ' 1' ' ' PHE . . . . . . . . . . . . . 21.6 t80 . . . . . 0 N--CA 1.48 1.068 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' J' J ' 2' ' ' VAL . . . . . 0.637 ' HB ' ' CD1' ' J' ' 6' ' ' LEU . 13.0 m -66.75 102.61 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 CA-C-O 121.435 0.636 . . . . 0.0 110.328 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' J' J ' 3' ' ' ASN . . . . . 0.522 ' O ' ' HB3' ' J' ' 7' ' ' CYS . 46.0 t30 -165.28 -69.39 0.03 OUTLIER 'General case' 0 C--O 1.214 -0.798 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.019 -179.047 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' J' J ' 4' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -53.33 -46.19 69.36 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.945 0.403 . . . . 0.0 111.906 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' J' J ' 5' ' ' HIS . . . . . . . . . . . . . 51.6 t60 -81.17 -3.31 51.77 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -178.228 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' J' J ' 6' ' ' LEU . . . . . 0.637 ' CD1' ' HB ' ' J' ' 2' ' ' VAL . 23.6 mt -115.11 -27.37 7.34 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.218 0.532 . . . . 0.0 110.839 179.736 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' J' J ' 7' ' ' CYS . . . . . 0.522 ' HB3' ' O ' ' J' ' 3' ' ' ASN . 0.0 OUTLIER -92.35 -36.6 13.08 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.075 -178.492 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' J' J ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.36 -34.31 59.3 Favored Glycine 0 C--N 1.334 0.443 0 C-N-CA 121.296 -0.478 . . . . 0.0 113.138 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' J' J ' 9' ' ' SER . . . . . 0.86 ' HB2' ' HG2' ' L' ' 13' ' ' GLU . 86.7 p -67.21 -12.32 59.76 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.955 0.407 . . . . 0.0 111.98 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' J' J ' 10' ' ' HIS . . . . . 0.699 ' HA ' ' HG3' ' J' ' 13' ' ' GLU . 99.0 m-70 -110.36 -15.94 13.83 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.816 0.341 . . . . 0.0 110.853 -179.59 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' J' J ' 11' ' ' LEU . . . . . 0.485 HD11 ' HB2' ' I' ' 7' ' ' CYS . 20.0 mt -72.12 -31.99 66.55 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 107.934 -1.135 . . . . 0.0 107.934 177.525 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' J' J ' 12' ' ' VAL . . . . . 0.632 ' HA ' ' HB2' ' J' ' 15' ' ' LEU . 1.4 m -68.15 -28.14 39.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 114.889 -1.05 . . . . 0.0 111.136 178.775 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' J' J ' 13' ' ' GLU . . . . . 0.857 ' HG2' ' HB2' ' L' ' 9' ' ' SER . 18.2 mt-10 -61.58 -38.15 86.51 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 178.666 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' J' J ' 14' ' ' ALA . . . . . . . . . . . . . . . -80.18 -30.97 38.86 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.333 178.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' J' J ' 15' ' ' LEU . . . . . 0.632 ' HB2' ' HA ' ' J' ' 12' ' ' VAL . 11.0 mt -59.21 -61.69 2.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.824 -0.625 . . . . 0.0 112.06 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' J' J ' 16' ' ' TYR . . . . . 0.997 ' HB3' ' HE2' ' J' ' 24' ' ' PHE . 2.3 p90 -73.7 -4.07 32.19 Favored 'General case' 0 C--O 1.227 -0.111 0 C-N-CA 119.803 -0.759 . . . . 0.0 110.804 -179.196 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' J' J ' 17' ' ' LEU . . . . . 0.485 ' HB2' ' O ' ' J' ' 13' ' ' GLU . 8.9 tt -78.31 -45.97 21.32 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 177.538 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 87.5 t -73.06 -44.03 57.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.285 -0.871 . . . . 0.0 109.889 178.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' J' J ' 19' ' ' CYS . . . . . . . . . . . . . 77.9 m -67.63 -27.3 66.76 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.6 179.524 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' J' J ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.11 -101.99 0.73 Allowed Glycine 0 C--N 1.33 0.218 0 CA-C-N 116.078 -0.51 . . . . 0.0 112.991 179.294 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' J' J ' 21' ' ' GLU . . . . . 0.712 ' HB2' ' HD2' ' L' ' 29' ' ' LYS . 17.6 pt-20 -91.14 -13.66 32.58 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.863 0.364 . . . . 0.0 110.306 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' J' J ' 22' ' ' ARG . . . . . . . . . . . . . 86.7 mtm180 -78.59 140.03 38.52 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.188 179.363 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' J' J ' 23' ' ' GLY . . . . . 0.613 ' HA2' ' HD3' ' L' ' 28' ' ' PRO . . . -84.23 -177.53 51.37 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.571 -0.823 . . . . 0.0 111.75 179.563 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' J' J ' 24' ' ' PHE . . . . . 0.997 ' HE2' ' HB3' ' J' ' 16' ' ' TYR . 15.3 p90 -155.23 167.77 29.25 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.045 0.45 . . . . 0.0 110.926 179.554 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' J' J ' 25' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -114.86 121.05 42.04 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 179.266 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' J' J ' 26' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -120.68 120.36 35.47 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.085 0.469 . . . . 0.0 111.591 -178.695 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' J' J ' 27' ' ' THR . . . . . . . . . . . . . 1.2 p -115.68 110.68 44.26 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.432 179.01 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' J' J ' 28' ' ' PRO . . . . . 0.593 ' HD3' ' HA2' ' L' ' 23' ' ' GLY . 16.5 Cg_exo -68.4 -11.35 31.7 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 123.205 2.604 . . . . 0.0 113.869 -178.07 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' J' J ' 29' ' ' LYS . . . . . 0.693 ' HD2' ' HB2' ' L' ' 21' ' ' GLU . 78.0 tttt -101.9 -13.12 17.77 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.777 0.322 . . . . 0.0 110.844 -179.181 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' J' J ' 30' ' ' THR . . . . . 0.565 ' O ' HG22 ' I' ' 3' ' ' VAL . 28.0 m . . . . . 0 C--O 1.25 1.12 0 CA-C-O 118.529 -0.748 . . . . 0.0 110.386 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.647 0 N-CA-C 112.088 -0.405 . . . . 0.0 112.088 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' K' K ' 2' ' ' ILE . . . . . 0.52 HD11 HD11 ' L' ' 15' ' ' LEU . 13.7 tt -140.92 -37.69 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' K' K ' 3' ' ' VAL . . . . . 0.574 HG11 ' HA ' ' L' ' 28' ' ' PRO . 15.1 m -68.35 -49.0 70.46 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -179.168 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' K' K ' 4' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -77.44 -9.77 59.07 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.867 -0.333 . . . . 0.0 111.446 179.655 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' K' K ' 5' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -90.79 -36.61 14.15 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.789 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' K' K ' 6' ' ' CYS . . . . . . . . . . . . . 90.3 m -104.41 -33.95 8.43 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 113.256 0.835 . . . . 0.0 113.256 -177.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' K' K ' 7' ' ' CYS . . . . . 0.499 ' HB2' HD11 ' L' ' 11' ' ' LEU . 8.5 t -86.57 35.91 0.68 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.184 0.516 . . . . 0.0 110.719 -179.668 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' K' K ' 8' ' ' THR . . . . . 0.497 ' C ' HG13 ' H' ' 2' ' ' VAL . 5.6 t -119.54 -61.52 1.61 Allowed 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 178.505 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' K' K ' 9' ' ' SER . . . . . 0.476 ' O ' ' HB ' ' K' ' 10' ' ' ILE . 49.9 m -137.47 22.06 2.94 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 121.766 -0.584 . . . . 0.0 110.611 178.142 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' K' K ' 10' ' ' ILE . . . . . 0.547 HD12 HG12 ' H' ' 2' ' ' VAL . 2.7 mp 75.72 137.46 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 C-N-CA 123.611 0.764 . . . . 0.0 110.309 -178.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' K' K ' 11' ' ' CYS . . . . . . . . . . . . . 51.4 m -92.68 172.73 8.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.312 0.577 . . . . 0.0 111.124 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' K' K ' 12' ' ' SER . . . . . 0.592 ' HB3' ' HG3' ' K' ' 15' ' ' GLN . 40.4 t -85.82 150.44 24.55 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 177.632 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' K' K ' 13' ' ' LEU . . . . . . . . . . . . . 9.3 tt -58.59 -33.09 69.59 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.102 0.477 . . . . 0.0 110.259 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -73.14 -31.07 64.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.944 179.655 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' K' K ' 15' ' ' GLN . . . . . 0.592 ' HG3' ' HB3' ' K' ' 12' ' ' SER . 87.9 mt-30 -70.1 -33.82 72.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.875 0.369 . . . . 0.0 111.054 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' K' K ' 16' ' ' LEU . . . . . . . . . . . . . 77.8 mt -66.32 -29.15 69.29 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.886 0.374 . . . . 0.0 110.624 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' K' K ' 17' ' ' GLU . . . . . 0.69 ' HA ' ' SG ' ' K' ' 20' ' ' CYS . 64.5 tt0 -71.67 -13.47 61.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.547 179.555 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' K' K ' 18' ' ' ASN . . . . . 0.49 ' HB2' ' O ' ' K' ' 15' ' ' GLN . 3.6 m120 -69.73 -16.58 63.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.327 178.698 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' K' K ' 19' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -106.75 5.39 28.63 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.226 -178.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' K' K ' 20' ' ' CYS . . . . . 0.69 ' SG ' ' HA ' ' K' ' 17' ' ' GLU . 84.9 m -74.08 84.22 1.8 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.795 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' K' K ' 21' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.195 -0.907 . . . . 0.0 111.458 178.621 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' L' L ' 1' ' ' PHE . . . . . . . . . . . . . 19.3 t80 . . . . . 0 N--CA 1.48 1.073 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' L' L ' 2' ' ' VAL . . . . . 0.641 ' HB ' ' CD1' ' L' ' 6' ' ' LEU . 13.3 m -65.56 102.27 0.42 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 CA-C-O 121.334 0.588 . . . . 0.0 110.724 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' L' L ' 3' ' ' ASN . . . . . 0.536 ' O ' ' HB3' ' L' ' 7' ' ' CYS . 45.3 t30 -165.34 -69.01 0.03 OUTLIER 'General case' 0 C--O 1.215 -0.745 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.025 -179.289 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' L' L ' 4' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -53.21 -46.16 68.94 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.879 0.371 . . . . 0.0 111.935 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' L' L ' 5' ' ' HIS . . . . . . . . . . . . . 54.0 t60 -81.79 -2.99 52.78 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -178.235 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' L' L ' 6' ' ' LEU . . . . . 0.641 ' CD1' ' HB ' ' L' ' 2' ' ' VAL . 23.3 mt -115.25 -27.29 7.31 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.199 0.523 . . . . 0.0 110.751 179.641 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' L' L ' 7' ' ' CYS . . . . . 0.536 ' HB3' ' O ' ' L' ' 3' ' ' ASN . 0.0 OUTLIER -92.42 -36.39 13.15 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.136 -178.417 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' L' L ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.34 -34.4 59.33 Favored Glycine 0 C--N 1.336 0.544 0 CA-C-N 116.231 -0.44 . . . . 0.0 113.195 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' L' L ' 9' ' ' SER . . . . . 0.857 ' HB2' ' HG2' ' J' ' 13' ' ' GLU . 85.3 p -67.32 -12.35 59.93 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.861 0.363 . . . . 0.0 111.803 -179.693 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' L' L ' 10' ' ' HIS . . . . . 0.707 ' HA ' ' HG3' ' L' ' 13' ' ' GLU . 99.0 m-70 -110.39 -15.89 13.83 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.709 0.29 . . . . 0.0 110.902 -179.524 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' L' L ' 11' ' ' LEU . . . . . 0.499 HD11 ' HB2' ' K' ' 7' ' ' CYS . 20.0 mt -71.98 -32.21 67.02 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 107.818 -1.178 . . . . 0.0 107.818 177.687 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' L' L ' 12' ' ' VAL . . . . . 0.616 ' HA ' ' HB2' ' L' ' 15' ' ' LEU . 1.6 m -68.21 -28.25 40.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 CA-C-N 114.962 -1.017 . . . . 0.0 111.176 178.861 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' L' L ' 13' ' ' GLU . . . . . 0.86 ' HG2' ' HB2' ' J' ' 9' ' ' SER . 18.1 mt-10 -61.31 -38.38 86.64 Favored 'General case' 0 CA--C 1.52 -0.181 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 178.799 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' L' L ' 14' ' ' ALA . . . . . . . . . . . . . . . -80.19 -30.47 38.73 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 114.92 -1.037 . . . . 0.0 110.417 178.77 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' L' L ' 15' ' ' LEU . . . . . 0.616 ' HB2' ' HA ' ' L' ' 12' ' ' VAL . 10.8 mt -59.61 -61.79 2.36 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.887 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' L' L ' 16' ' ' TYR . . . . . 0.967 ' HB3' ' HE2' ' L' ' 24' ' ' PHE . 2.3 p90 -73.39 -4.52 33.98 Favored 'General case' 0 C--N 1.334 -0.084 0 C-N-CA 119.892 -0.723 . . . . 0.0 110.921 -179.371 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' L' L ' 17' ' ' LEU . . . . . 0.492 ' HB2' ' O ' ' L' ' 13' ' ' GLU . 9.1 tt -78.02 -45.9 22.43 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 177.585 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 88.4 t -73.43 -44.38 54.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.155 -0.93 . . . . 0.0 109.838 178.775 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' L' L ' 19' ' ' CYS . . . . . . . . . . . . . 74.8 m -66.68 -28.05 68.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.694 179.361 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' L' L ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.87 -101.95 0.78 Allowed Glycine 0 N--CA 1.452 -0.299 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.776 179.231 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' L' L ' 21' ' ' GLU . . . . . 0.693 ' HB2' ' HD2' ' J' ' 29' ' ' LYS . 17.4 pt-20 -91.34 -13.43 32.55 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.003 0.43 . . . . 0.0 110.482 179.781 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' L' L ' 22' ' ' ARG . . . . . . . . . . . . . 85.8 mtm180 -78.67 139.5 38.5 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.161 179.053 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' L' L ' 23' ' ' GLY . . . . . 0.593 ' HA2' ' HD3' ' J' ' 28' ' ' PRO . . . -83.78 -178.18 51.77 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.844 -0.693 . . . . 0.0 111.735 179.573 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' L' L ' 24' ' ' PHE . . . . . 0.967 ' HE2' ' HB3' ' L' ' 16' ' ' TYR . 15.4 p90 -154.91 167.45 30.27 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.073 0.463 . . . . 0.0 110.828 179.501 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' L' L ' 25' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -114.25 121.2 42.98 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 179.296 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' L' L ' 26' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -120.87 120.12 34.61 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.169 0.509 . . . . 0.0 111.64 -178.63 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' L' L ' 27' ' ' THR . . . . . 0.432 ' HA ' ' HD3' ' L' ' 28' ' ' PRO . 1.3 p -115.32 111.49 44.4 Favored Pre-proline 0 C--N 1.321 -0.668 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.342 179.027 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' L' L ' 28' ' ' PRO . . . . . 0.613 ' HD3' ' HA2' ' J' ' 23' ' ' GLY . 15.6 Cg_exo -69.62 -10.68 29.29 Favored 'Trans proline' 0 N--CA 1.473 0.265 0 C-N-CA 123.182 2.588 . . . . 0.0 113.797 -178.096 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' L' L ' 29' ' ' LYS . . . . . 0.712 ' HD2' ' HB2' ' J' ' 21' ' ' GLU . 78.8 tttt . . . . . 0 C--N 1.322 -0.598 0 CA-C-O 120.852 0.358 . . . . 0.0 110.985 -179.367 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.823 0 N-CA-C 112.026 -0.43 . . . . 0.0 112.026 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.762 HD13 ' HE1' ' B' ' 26' ' ' TYR . 10.7 tt -167.63 -25.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 120.836 0.35 . . . . 0.0 110.668 179.509 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.405 ' CG2' ' HB2' ' B' ' 28' ' ' PRO . 40.0 t -59.59 -75.07 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.518 -0.252 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.139 -179.664 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -59.2 -32.94 70.39 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.3 0.571 . . . . 0.0 110.974 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.429 ' HG2' ' SG ' ' A' ' 11' ' ' CYS . 33.3 tt0 -62.79 -47.75 82.11 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.195 -0.911 . . . . 0.0 112.775 -179.159 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 80.6 m -101.04 -27.31 13.34 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 -177.118 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 11.9 t -77.95 -2.2 35.73 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 122.093 -0.38 . . . . 0.0 111.121 -178.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.3 t -82.76 -44.52 15.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.023 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.414 ' HA ' ' O ' ' F' ' 2' ' ' VAL . 11.5 p -163.95 27.31 0.08 Allowed 'General case' 0 C--O 1.234 0.282 0 N-CA-C 111.585 0.217 . . . . 0.0 111.585 -179.646 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.861 HD13 ' HB3' ' F' ' 3' ' ' ASN . 1.7 mp 69.71 135.34 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 179.229 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.553 ' HB3' ' HG2' ' A' ' 15' ' ' GLN . 98.3 m -93.46 157.47 16.2 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.883 -1.053 . . . . 0.0 109.572 178.391 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.9 m -72.64 167.92 19.76 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.731 0.301 . . . . 0.0 111.026 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.8 tt -56.31 -52.93 62.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 112.014 -178.507 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -64.05 -25.4 68.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.766 0.317 . . . . 0.0 111.452 -179.245 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.553 ' HG2' ' HB3' ' A' ' 11' ' ' CYS . 37.4 tp60 -65.99 -37.82 86.93 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.209 0.528 . . . . 0.0 110.016 179.118 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.638 ' HB3' HD23 ' B' ' 15' ' ' LEU . 70.7 mt -72.92 -29.81 63.41 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.428 -0.806 . . . . 0.0 111.519 -179.483 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.41 ' O ' ' HB2' ' A' ' 20' ' ' CYS . 76.7 tt0 -60.46 -23.65 64.62 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-O 120.967 0.413 . . . . 0.0 111.265 -179.557 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 74.4 m-80 -64.71 -16.38 62.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.333 179.578 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -106.57 13.45 28.27 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.055 0.455 . . . . 0.0 111.171 -178.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 17' ' ' GLU . 1.1 m -85.12 160.53 19.93 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.392 179.689 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 44.6 t-20 . . . . . 0 C--O 1.246 0.872 0 CA-C-O 118.321 -0.847 . . . . 0.0 109.476 179.68 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 56.7 t80 . . . . . 0 N--CA 1.481 1.093 0 CA-C-O 120.559 0.219 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 2' ' ' VAL . . . . . 0.415 ' O ' ' HA ' ' I' ' 9' ' ' SER . 33.5 m 46.0 -139.73 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 C-N-CA 123.949 0.9 . . . . 0.0 112.365 -179.132 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 3' ' ' ASN . . . . . 0.801 ' HB3' HD13 ' I' ' 10' ' ' ILE . 14.8 t-20 -160.22 169.47 23.17 Favored 'General case' 0 C--O 1.237 0.437 0 O-C-N 122.234 -0.291 . . . . 0.0 111.018 -177.547 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -46.26 -36.74 6.45 Favored 'General case' 0 N--CA 1.463 0.198 0 C-N-CA 124.374 1.07 . . . . 0.0 110.827 177.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 5' ' ' HIS . . . . . 0.567 ' CE1' ' HA ' ' D' ' 17' ' ' LEU . 80.6 t60 -57.79 -17.54 16.47 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 114.754 -1.112 . . . . 0.0 112.914 -179.42 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.468 HD23 ' HA ' ' B' ' 6' ' ' LEU . 12.9 mt -117.38 -47.92 2.63 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 7' ' ' CYS . . . . . 0.411 ' O ' ' HG ' ' B' ' 11' ' ' LEU . 47.5 t -62.04 -43.38 98.97 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.785 0.326 . . . . 0.0 110.846 -179.013 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.64 -29.67 74.42 Favored Glycine 0 C--N 1.332 0.329 0 C-N-CA 121.018 -0.611 . . . . 0.0 112.544 179.619 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 9' ' ' SER . . . . . 0.468 ' HB3' ' HG2' ' D' ' 13' ' ' GLU . 5.1 m -66.65 -4.22 8.28 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 122.519 0.328 . . . . 0.0 111.705 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -123.03 -14.68 7.53 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.94 -0.304 . . . . 0.0 111.567 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' B' ' 7' ' ' CYS . 30.7 mt -72.97 -17.9 61.42 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 177.756 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.988 HG21 HG21 ' D' ' 12' ' ' VAL . 6.3 m -66.46 -39.03 83.01 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 CA-C-N 114.537 -1.211 . . . . 0.0 110.232 178.127 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.489 ' HG2' ' HB3' ' D' ' 9' ' ' SER . 25.8 mt-10 -61.0 -34.69 75.2 Favored 'General case' 0 CA--C 1.52 -0.209 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 179.794 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.37 -50.28 68.32 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.206 -0.907 . . . . 0.0 109.957 178.425 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.638 HD23 ' HB3' ' A' ' 16' ' ' LEU . 42.8 mt -61.65 -43.55 98.65 Favored 'General case' 0 C--O 1.226 -0.183 0 CA-C-O 121.521 0.676 . . . . 0.0 109.54 178.635 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 16' ' ' TYR . . . . . 0.559 ' CD2' ' HE2' ' B' ' 24' ' ' PHE . 0.6 OUTLIER -57.15 -48.02 79.74 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.499 -1.228 . . . . 0.0 111.667 -179.125 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.569 ' HA ' ' CE1' ' D' ' 5' ' ' HIS . 1.9 mm? -59.23 -42.6 91.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.944 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 46.9 t -75.61 -32.3 24.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.703 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 19' ' ' CYS . . . . . 0.436 ' HB2' ' O ' ' B' ' 15' ' ' LEU . 0.1 OUTLIER -85.5 4.2 36.86 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -178.642 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.96 -114.34 6.27 Favored Glycine 0 CA--C 1.517 0.191 0 C-N-CA 121.115 -0.564 . . . . 0.0 112.754 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -124.81 22.31 8.16 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.981 0.42 . . . . 0.0 110.506 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 36.8 ttm105 -80.22 -43.37 21.57 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.187 0.518 . . . . 0.0 110.691 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 110.27 170.32 19.8 Favored Glycine 0 N--CA 1.446 -0.676 0 N-CA-C 110.59 -1.004 . . . . 0.0 110.59 -178.637 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 24' ' ' PHE . . . . . 0.636 ' HZ ' ' HB ' ' B' ' 12' ' ' VAL . 51.0 p90 -153.46 -177.38 6.31 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.294 0.568 . . . . 0.0 110.866 -179.491 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 7.2 p90 -124.2 139.44 53.92 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 178.382 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.762 ' HE1' HD13 ' A' ' 2' ' ' ILE . 16.7 t80 -132.5 87.55 2.43 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 119.632 -0.827 . . . . 0.0 111.818 -178.608 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 9.5 m -116.66 83.67 14.23 Favored Pre-proline 0 C--N 1.315 -0.909 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 177.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 28' ' ' PRO . . . . . 0.405 ' HB2' ' CG2' ' A' ' 3' ' ' VAL . 72.3 Cg_endo -78.76 -4.31 13.94 Favored 'Trans proline' 0 N--CA 1.459 -0.54 0 C-N-CA 122.89 2.393 . . . . 0.0 112.946 -177.761 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 55.5 tttm -61.7 105.32 0.53 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.038 179.27 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 10.7 m . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.837 -0.601 . . . . 0.0 109.809 -179.287 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.734 0 N-CA-C 111.609 -0.596 . . . . 0.0 111.609 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' C' C ' 2' ' ' ILE . . . . . 0.761 HD13 ' HE1' ' D' ' 26' ' ' TYR . 10.8 tt -169.95 -26.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 120.715 0.293 . . . . 0.0 110.609 179.764 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 3' ' ' VAL . . . . . 0.414 ' CG2' ' HB2' ' D' ' 28' ' ' PRO . 41.5 t -59.74 -75.31 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.226 -0.171 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.135 -179.593 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -59.39 -33.01 70.69 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.2 0.524 . . . . 0.0 110.799 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 5' ' ' GLN . . . . . 0.427 ' HG2' ' SG ' ' C' ' 11' ' ' CYS . 33.9 tt0 -62.15 -47.58 83.88 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.511 -0.768 . . . . 0.0 112.921 -179.288 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 85.9 m -101.36 -27.51 13.12 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 113.665 0.987 . . . . 0.0 113.665 -177.195 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 7' ' ' CYS . . . . . . . . . . . . . 11.1 t -77.58 -1.39 30.51 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.866 -0.334 . . . . 0.0 111.209 -179.201 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 13.7 t -84.03 -42.77 15.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.796 -0.184 . . . . 0.0 111.319 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 9' ' ' SER . . . . . 0.415 ' HA ' ' O ' ' L' ' 2' ' ' VAL . 13.1 p -165.01 26.95 0.06 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.629 0.252 . . . . 0.0 111.677 -179.754 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 10' ' ' ILE . . . . . 0.803 HD13 ' HB3' ' L' ' 3' ' ' ASN . 1.7 mp 69.28 134.4 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 178.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 11' ' ' CYS . . . . . 0.552 ' HB3' ' HG2' ' C' ' 15' ' ' GLN . 97.4 m -92.05 159.0 15.92 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.831 -1.077 . . . . 0.0 109.74 178.427 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 49.3 m -74.28 167.49 21.52 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.654 0.264 . . . . 0.0 111.04 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 8.7 tt -55.98 -51.95 65.89 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.213 -0.449 . . . . 0.0 112.069 -178.478 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -65.2 -24.36 67.34 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.793 0.294 . . . . 0.0 111.793 -179.158 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 15' ' ' GLN . . . . . 0.552 ' HG2' ' HB3' ' C' ' 11' ' ' CYS . 36.8 tp60 -67.16 -38.55 85.65 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.17 0.509 . . . . 0.0 109.806 179.167 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 16' ' ' LEU . . . . . 0.641 ' HB3' HD23 ' D' ' 15' ' ' LEU . 69.2 mt -71.99 -29.71 64.51 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.545 -179.677 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -61.13 -21.62 63.91 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.433 -179.646 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 75.0 m-80 -68.01 -12.72 61.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.85 0.357 . . . . 0.0 111.301 179.738 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 19' ' ' TYR . . . . . 0.42 ' HB2' HD22 ' D' ' 15' ' ' LEU . 51.6 m-85 -109.24 13.26 24.44 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.166 0.508 . . . . 0.0 110.868 -179.197 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 1.1 m -85.67 159.11 19.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.198 179.547 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 43.5 t-20 . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.268 -0.873 . . . . 0.0 109.328 179.358 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 57.4 t80 . . . . . 0 N--CA 1.482 1.132 0 CA-C-O 120.508 0.194 . . . . 0.0 110.568 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' D' D ' 2' ' ' VAL . . . . . 0.438 ' O ' ' HA ' ' G' ' 9' ' ' SER . 34.0 m 46.67 -139.4 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 C-N-CA 124.051 0.94 . . . . 0.0 112.623 -179.11 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 3' ' ' ASN . . . . . 0.815 ' HB3' HD13 ' G' ' 10' ' ' ILE . 14.8 t-20 -160.95 168.94 23.59 Favored 'General case' 0 C--N 1.328 -0.356 0 O-C-N 122.232 -0.293 . . . . 0.0 110.881 -177.364 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -45.71 -37.2 5.59 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 124.243 1.017 . . . . 0.0 110.968 178.031 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 5' ' ' HIS . . . . . 0.569 ' CE1' ' HA ' ' B' ' 17' ' ' LEU . 79.4 t60 -57.21 -18.47 16.01 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 114.791 -1.095 . . . . 0.0 112.905 -179.358 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 6' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' D' ' 6' ' ' LEU . 13.0 mt -116.32 -47.92 2.73 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 7' ' ' CYS . . . . . . . . . . . . . 49.6 t -62.1 -43.58 98.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.0 -179.05 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.49 -29.54 73.76 Favored Glycine 0 C--N 1.331 0.261 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.537 179.572 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 9' ' ' SER . . . . . 0.489 ' HB3' ' HG2' ' B' ' 13' ' ' GLU . 4.9 m -66.54 -4.21 8.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.769 0.319 . . . . 0.0 111.639 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 10' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -122.93 -15.11 7.47 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 11' ' ' LEU . . . . . . . . . . . . . 27.9 mt -72.92 -17.98 61.44 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 107.813 -1.18 . . . . 0.0 107.813 177.818 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 12' ' ' VAL . . . . . 0.988 HG21 HG21 ' B' ' 12' ' ' VAL . 6.3 m -66.45 -38.77 82.45 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 CA-C-N 114.468 -1.242 . . . . 0.0 110.383 178.285 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 13' ' ' GLU . . . . . 0.468 ' HG2' ' HB3' ' B' ' 9' ' ' SER . 25.5 mt-10 -61.22 -34.61 75.39 Favored 'General case' 0 CA--C 1.519 -0.221 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 179.58 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.04 -50.45 68.39 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.996 178.39 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 15' ' ' LEU . . . . . 0.641 HD23 ' HB3' ' C' ' 16' ' ' LEU . 47.7 mt -61.37 -43.71 98.4 Favored 'General case' 0 C--O 1.226 -0.18 0 CA-C-O 121.68 0.752 . . . . 0.0 109.537 178.592 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 16' ' ' TYR . . . . . 0.553 ' CD2' ' HE2' ' D' ' 24' ' ' PHE . 0.6 OUTLIER -57.22 -47.62 80.84 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 114.273 -1.331 . . . . 0.0 111.723 -179.162 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' D' D ' 17' ' ' LEU . . . . . 0.567 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 1.9 mm? -59.77 -42.2 92.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.049 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 47.1 t -75.71 -33.44 26.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.51 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 19' ' ' CYS . . . . . 0.424 ' HB2' ' O ' ' D' ' 15' ' ' LEU . 0.1 OUTLIER -83.95 2.63 37.83 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -178.518 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.66 -113.41 5.69 Favored Glycine 0 CA--C 1.519 0.282 0 C-N-CA 120.864 -0.684 . . . . 0.0 113.021 179.643 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 -126.17 21.6 7.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.191 0.52 . . . . 0.0 110.445 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 22' ' ' ARG . . . . . . . . . . . . . 35.2 ttm105 -79.51 -42.81 24.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.403 0.62 . . . . 0.0 110.783 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 23' ' ' GLY . . . . . . . . . . . . . . . 109.57 170.86 20.4 Favored Glycine 0 N--CA 1.445 -0.766 0 N-CA-C 110.726 -0.949 . . . . 0.0 110.726 -178.598 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 24' ' ' PHE . . . . . 0.634 ' HZ ' ' HB ' ' D' ' 12' ' ' VAL . 51.2 p90 -154.44 -178.24 7.01 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.348 0.594 . . . . 0.0 111.126 -179.684 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 25' ' ' PHE . . . . . . . . . . . . . 7.6 p90 -122.99 140.62 52.84 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 178.365 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 26' ' ' TYR . . . . . 0.761 ' HE1' HD13 ' C' ' 2' ' ' ILE . 16.4 t80 -133.62 86.61 2.3 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 119.753 -0.779 . . . . 0.0 112.0 -178.663 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 27' ' ' THR . . . . . . . . . . . . . 8.8 m -115.53 83.9 11.54 Favored Pre-proline 0 C--N 1.316 -0.88 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 177.815 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 28' ' ' PRO . . . . . 0.414 ' HB2' ' CG2' ' C' ' 3' ' ' VAL . 90.1 Cg_endo -79.65 -2.28 12.09 Favored 'Trans proline' 0 N--CA 1.46 -0.494 0 C-N-CA 122.888 2.392 . . . . 0.0 112.65 -177.726 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 57.0 tttm -64.06 103.12 0.56 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.147 179.415 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 6.3 m . . . . . 0 C--O 1.246 0.913 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.431 -179.667 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.571 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' E' E ' 2' ' ' ILE . . . . . 0.753 HD13 ' HE1' ' F' ' 26' ' ' TYR . 11.4 tt -168.88 -26.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 120.835 0.35 . . . . 0.0 110.676 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' E' E ' 3' ' ' VAL . . . . . 0.425 ' CG2' ' HB2' ' F' ' 28' ' ' PRO . 40.2 t -59.25 -76.66 0.03 OUTLIER 'Isoleucine or valine' 0 C--O 1.225 -0.218 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.135 -179.711 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' E' E ' 4' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -57.54 -35.25 70.06 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.23 0.538 . . . . 0.0 110.633 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 5' ' ' GLN . . . . . 0.448 ' HG2' ' SG ' ' E' ' 11' ' ' CYS . 33.4 tt0 -60.08 -47.72 84.71 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 113.337 0.865 . . . . 0.0 113.337 -179.518 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' E' E ' 6' ' ' CYS . . . . . . . . . . . . . 81.3 m -101.54 -27.07 13.31 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 -177.166 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 7' ' ' CYS . . . . . . . . . . . . . 12.1 t -78.26 -1.75 34.52 Favored 'General case' 0 C--N 1.322 -0.623 0 O-C-N 122.101 -0.375 . . . . 0.0 111.261 -178.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 15.1 t -83.72 -43.29 15.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.074 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 9' ' ' SER . . . . . 0.425 ' HA ' ' O ' ' J' ' 2' ' ' VAL . 7.6 p -164.19 26.28 0.07 Allowed 'General case' 0 C--O 1.233 0.197 0 CA-C-O 120.682 0.277 . . . . 0.0 111.523 -179.605 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' E' E ' 10' ' ' ILE . . . . . 0.833 HD13 ' HB3' ' J' ' 3' ' ' ASN . 1.7 mp 70.17 136.7 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 CA-C-O 121.737 0.78 . . . . 0.0 112.736 179.27 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' E' E ' 11' ' ' CYS . . . . . 0.573 ' HB3' ' HG2' ' E' ' 15' ' ' GLN . 96.6 m -95.01 157.47 15.88 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.044 -0.98 . . . . 0.0 109.525 178.451 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' E' E ' 12' ' ' SER . . . . . . . . . . . . . 32.7 m -72.28 168.27 18.67 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.629 0.252 . . . . 0.0 111.067 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 8.7 tt -56.74 -52.8 63.57 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -178.391 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -64.02 -25.7 68.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.676 0.274 . . . . 0.0 111.365 -179.33 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 15' ' ' GLN . . . . . 0.573 ' HG2' ' HB3' ' E' ' 11' ' ' CYS . 38.8 tp60 -65.25 -38.75 91.32 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.153 0.501 . . . . 0.0 109.903 179.076 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' E' E ' 16' ' ' LEU . . . . . 0.626 ' HB3' HD23 ' F' ' 15' ' ' LEU . 71.8 mt -72.17 -29.72 64.28 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.576 -179.647 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' E' E ' 17' ' ' GLU . . . . . . . . . . . . . 76.9 tt0 -60.77 -23.53 65.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.967 0.413 . . . . 0.0 111.35 -179.496 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 18' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -65.93 -13.23 59.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.426 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 19' ' ' TYR . . . . . 0.407 ' HB2' HD22 ' F' ' 15' ' ' LEU . 50.6 m-85 -109.2 13.91 24.14 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.131 0.491 . . . . 0.0 110.851 -179.167 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' E' E ' 20' ' ' CYS . . . . . . . . . . . . . 1.1 m -86.02 159.95 19.45 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.45 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 21' ' ' ASN . . . . . . . . . . . . . 43.2 t-20 . . . . . 0 C--O 1.246 0.891 0 CA-C-O 118.169 -0.92 . . . . 0.0 109.616 179.438 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' F' F ' 1' ' ' PHE . . . . . . . . . . . . . 56.9 t80 . . . . . 0 N--CA 1.483 1.176 0 CA-C-O 120.196 0.046 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' F' F ' 2' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 9' ' ' SER . 34.6 m 47.09 -139.02 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 C-N-CA 124.072 0.949 . . . . 0.0 112.4 -178.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' F' F ' 3' ' ' ASN . . . . . 0.861 ' HB3' HD13 ' A' ' 10' ' ' ILE . 13.8 t-20 -161.13 169.23 22.77 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 122.228 -0.295 . . . . 0.0 110.848 -177.412 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' F' F ' 4' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -46.43 -36.39 6.5 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 124.103 0.961 . . . . 0.0 111.139 177.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 5' ' ' HIS . . . . . 0.554 ' CE1' ' HA ' ' H' ' 17' ' ' LEU . 80.9 t60 -58.29 -16.92 16.11 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 115.01 -0.995 . . . . 0.0 112.902 -179.416 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' F' F ' 6' ' ' LEU . . . . . 0.443 ' HA ' HD23 ' F' ' 6' ' ' LEU . 12.7 mt -117.65 -48.0 2.6 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 122.217 -0.302 . . . . 0.0 111.793 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' F' F ' 7' ' ' CYS . . . . . 0.403 ' O ' ' HG ' ' F' ' 11' ' ' LEU . 47.1 t -61.74 -44.14 97.49 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.729 0.299 . . . . 0.0 110.905 -179.251 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' F' F ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.08 -30.0 74.36 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.973 -0.632 . . . . 0.0 112.489 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 9' ' ' SER . . . . . 0.5 ' HB3' ' HG2' ' H' ' 13' ' ' GLU . 5.1 m -66.29 -4.64 8.28 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 122.481 0.313 . . . . 0.0 111.704 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' F' F ' 10' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -122.52 -15.22 7.62 Favored 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 111.644 0.239 . . . . 0.0 111.644 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 11' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' F' ' 7' ' ' CYS . 25.8 mt -72.66 -18.15 61.59 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 177.693 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' F' F ' 12' ' ' VAL . . . . . 1.014 HG21 HG21 ' H' ' 12' ' ' VAL . 6.8 m -66.1 -38.73 82.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 CA-C-N 114.735 -1.12 . . . . 0.0 110.566 178.169 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' F' F ' 13' ' ' GLU . . . . . 0.478 ' HG2' ' HB3' ' H' ' 9' ' ' SER . 25.8 mt-10 -61.23 -34.99 76.02 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 179.633 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' F' F ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.7 -51.02 66.89 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.071 178.239 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 15' ' ' LEU . . . . . 0.626 HD23 ' HB3' ' E' ' 16' ' ' LEU . 44.2 mt -60.74 -43.6 97.72 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 121.799 0.809 . . . . 0.0 109.751 178.487 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' F' F ' 16' ' ' TYR . . . . . 0.563 ' CD2' ' HE2' ' F' ' 24' ' ' PHE . 0.6 OUTLIER -57.36 -48.28 79.44 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.178 -1.373 . . . . 0.0 111.71 -179.143 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' F' F ' 17' ' ' LEU . . . . . 0.542 ' HA ' ' CE1' ' H' ' 5' ' ' HIS . 1.9 mm? -58.73 -42.92 89.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.987 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 47.4 t -74.89 -34.85 34.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.612 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 19' ' ' CYS . . . . . 0.426 ' HB2' ' O ' ' F' ' 15' ' ' LEU . 0.1 OUTLIER -83.31 4.29 27.82 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -178.561 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' F' F ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.99 -114.76 6.7 Favored Glycine 0 CA--C 1.519 0.297 0 C-N-CA 120.915 -0.66 . . . . 0.0 112.729 179.576 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 21' ' ' GLU . . . . . . . . . . . . . 79.9 mt-10 -124.8 22.85 8.08 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.117 0.484 . . . . 0.0 110.745 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 22' ' ' ARG . . . . . . . . . . . . . 35.6 ttm105 -80.96 -41.66 22.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.263 0.554 . . . . 0.0 110.719 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 23' ' ' GLY . . . . . . . . . . . . . . . 108.75 170.8 21.01 Favored Glycine 0 N--CA 1.444 -0.819 0 N-CA-C 110.741 -0.944 . . . . 0.0 110.741 -178.632 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 24' ' ' PHE . . . . . 0.65 ' HZ ' ' HB ' ' F' ' 12' ' ' VAL . 51.1 p90 -154.13 -177.79 6.67 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.226 0.536 . . . . 0.0 110.974 -179.525 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' F' F ' 25' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -123.33 140.79 52.65 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 178.144 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 26' ' ' TYR . . . . . 0.753 ' HE1' HD13 ' E' ' 2' ' ' ILE . 17.2 t80 -133.96 85.8 2.23 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 119.519 -0.873 . . . . 0.0 111.977 -178.703 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' F' F ' 27' ' ' THR . . . . . . . . . . . . . 9.8 m -114.62 84.15 9.7 Favored Pre-proline 0 C--N 1.316 -0.85 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 177.756 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 28' ' ' PRO . . . . . 0.425 ' HB2' ' CG2' ' E' ' 3' ' ' VAL . 97.8 Cg_endo -79.94 -1.71 11.61 Favored 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 122.782 2.322 . . . . 0.0 112.823 -177.873 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' F' F ' 29' ' ' LYS . . . . . . . . . . . . . 55.6 tttm -63.96 106.49 1.04 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.831 179.23 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 30' ' ' THR . . . . . . . . . . . . . 13.2 m . . . . . 0 C--O 1.248 0.98 0 CA-C-O 118.341 -0.838 . . . . 0.0 109.857 -179.313 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' G' G ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.894 0 N-CA-C 111.93 -0.468 . . . . 0.0 111.93 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' G' G ' 2' ' ' ILE . . . . . 0.758 HD13 ' HE1' ' H' ' 26' ' ' TYR . 11.5 tt -168.64 -27.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 120.743 0.306 . . . . 0.0 110.765 179.498 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' G' G ' 3' ' ' VAL . . . . . 0.424 ' CG2' ' HG3' ' H' ' 4' ' ' GLN . 40.8 t -59.2 -75.87 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.519 -0.213 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.081 -179.521 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' G' G ' 4' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -58.22 -34.47 70.45 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.295 0.569 . . . . 0.0 110.93 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' G' G ' 5' ' ' GLN . . . . . 0.432 ' HG2' ' SG ' ' G' ' 11' ' ' CYS . 16.3 tt0 -60.99 -48.35 82.25 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.467 -0.788 . . . . 0.0 112.912 -179.436 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' G' G ' 6' ' ' CYS . . . . . . . . . . . . . 83.0 m -100.43 -26.97 13.68 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 -177.222 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' G' G ' 7' ' ' CYS . . . . . . . . . . . . . 11.0 t -78.37 -2.32 37.68 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.18 -179.062 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' G' G ' 8' ' ' THR . . . . . . . . . . . . . 11.5 t -82.39 -43.73 16.99 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 121.208 -0.197 . . . . 0.0 111.153 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' G' G ' 9' ' ' SER . . . . . 0.438 ' HA ' ' O ' ' D' ' 2' ' ' VAL . 13.4 p -164.11 26.09 0.07 Allowed 'General case' 0 CA--C 1.53 0.206 0 CA-C-O 120.684 0.278 . . . . 0.0 111.733 -179.41 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' G' G ' 10' ' ' ILE . . . . . 0.815 HD13 ' HB3' ' D' ' 3' ' ' ASN . 1.7 mp 70.28 134.95 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 CA-C-O 121.785 0.802 . . . . 0.0 113.102 179.145 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' G' G ' 11' ' ' CYS . . . . . 0.605 ' HB3' ' HG2' ' G' ' 15' ' ' GLN . 99.8 m -92.75 159.55 15.36 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.698 178.535 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' G' G ' 12' ' ' SER . . . . . . . . . . . . . 50.5 m -74.67 168.7 19.3 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.715 0.293 . . . . 0.0 111.017 179.724 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' G' G ' 13' ' ' LEU . . . . . . . . . . . . . 8.6 tt -56.2 -54.09 49.37 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.78 -178.565 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -62.48 -26.02 68.31 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -179.316 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' G' G ' 15' ' ' GLN . . . . . 0.605 ' HG2' ' HB3' ' G' ' 11' ' ' CYS . 33.0 tp60 -65.83 -38.56 89.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.3 0.571 . . . . 0.0 109.85 179.523 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' G' G ' 16' ' ' LEU . . . . . 0.648 ' HB3' HD23 ' H' ' 15' ' ' LEU . 68.5 mt -72.4 -29.89 64.15 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.241 -0.891 . . . . 0.0 111.425 -179.515 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' G' G ' 17' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -60.7 -22.55 64.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.951 0.405 . . . . 0.0 111.3 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' G' G ' 18' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -67.05 -13.21 61.7 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.494 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' G' G ' 19' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 -109.13 13.25 24.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.155 0.502 . . . . 0.0 110.605 -179.074 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' G' G ' 20' ' ' CYS . . . . . . . . . . . . . 1.1 m -85.78 157.82 20.15 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.26 179.672 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' G' G ' 21' ' ' ASN . . . . . . . . . . . . . 43.9 t-20 . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.252 -0.88 . . . . 0.0 109.436 179.355 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' H' H ' 1' ' ' PHE . . . . . . . . . . . . . 56.5 t80 . . . . . 0 N--CA 1.479 1.016 0 CA-C-O 120.383 0.135 . . . . 0.0 110.79 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' H' H ' 2' ' ' VAL . . . . . . . . . . . . . 33.5 m 46.37 -140.69 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 C-N-CA 124.13 0.972 . . . . 0.0 112.494 -178.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' H' H ' 3' ' ' ASN . . . . . 0.827 ' HB3' HD13 ' K' ' 10' ' ' ILE . 14.5 t-20 -159.68 169.36 23.88 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 122.207 -0.308 . . . . 0.0 110.942 -177.335 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' H' H ' 4' ' ' GLN . . . . . 0.424 ' HG3' ' CG2' ' G' ' 3' ' ' VAL . 4.3 tt0 -46.23 -36.64 6.3 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 124.192 0.997 . . . . 0.0 110.961 178.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' H' H ' 5' ' ' HIS . . . . . 0.542 ' CE1' ' HA ' ' F' ' 17' ' ' LEU . 79.5 t60 -57.76 -17.86 18.11 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 114.781 -1.1 . . . . 0.0 112.926 -179.509 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' H' H ' 6' ' ' LEU . . . . . 0.46 HD23 ' HA ' ' H' ' 6' ' ' LEU . 12.6 mt -116.81 -47.46 2.7 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 179.786 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' H' H ' 7' ' ' CYS . . . . . . . . . . . . . 49.5 t -62.47 -43.58 98.47 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.687 0.28 . . . . 0.0 110.932 -179.04 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' H' H ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.57 -29.28 73.12 Favored Glycine 0 C--N 1.332 0.333 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.527 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' H' H ' 9' ' ' SER . . . . . 0.478 ' HB3' ' HG2' ' F' ' 13' ' ' GLU . 4.4 m -66.65 -4.57 9.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.738 0.304 . . . . 0.0 111.725 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' H' H ' 10' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -122.45 -15.0 7.71 Favored 'General case' 0 CA--C 1.514 -0.412 0 C-N-CA 120.98 -0.288 . . . . 0.0 111.683 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' H' H ' 11' ' ' LEU . . . . . . . . . . . . . 28.4 mt -72.78 -17.99 61.53 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 177.796 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' H' H ' 12' ' ' VAL . . . . . 1.014 HG21 HG21 ' F' ' 12' ' ' VAL . 6.6 m -66.32 -39.37 84.02 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.403 0 CA-C-N 114.612 -1.177 . . . . 0.0 110.337 178.193 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' H' H ' 13' ' ' GLU . . . . . 0.5 ' HG2' ' HB3' ' F' ' 9' ' ' SER . 25.8 mt-10 -60.56 -35.07 75.15 Favored 'General case' 0 CA--C 1.519 -0.215 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 179.694 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' H' H ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.71 -51.09 66.56 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.274 -0.875 . . . . 0.0 110.042 178.299 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' H' H ' 15' ' ' LEU . . . . . 0.648 HD23 ' HB3' ' G' ' 16' ' ' LEU . 45.0 mt -60.87 -43.55 98.24 Favored 'General case' 0 C--O 1.226 -0.156 0 CA-C-O 121.708 0.766 . . . . 0.0 109.63 178.581 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' H' H ' 16' ' ' TYR . . . . . 0.562 ' CD2' ' HE2' ' H' ' 24' ' ' PHE . 0.6 OUTLIER -57.67 -47.62 81.78 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.386 -1.279 . . . . 0.0 111.702 -179.174 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' H' H ' 17' ' ' LEU . . . . . 0.554 ' HA ' ' CE1' ' F' ' 5' ' ' HIS . 1.9 mm? -59.43 -42.27 91.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.017 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 44.0 t -75.52 -33.67 27.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.394 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' H' H ' 19' ' ' CYS . . . . . 0.442 ' HB2' ' O ' ' H' ' 15' ' ' LEU . 0.1 OUTLIER -84.49 4.24 32.71 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 112.597 0.591 . . . . 0.0 112.597 -178.469 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' H' H ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.72 -115.05 6.95 Favored Glycine 0 CA--C 1.52 0.377 0 C-N-CA 120.978 -0.63 . . . . 0.0 112.874 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' H' H ' 21' ' ' GLU . . . . . . . . . . . . . 83.4 mt-10 -124.67 23.42 8.04 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.04 0.448 . . . . 0.0 110.443 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' H' H ' 22' ' ' ARG . . . . . . . . . . . . . 36.1 ttm105 -81.31 -43.16 19.52 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.238 0.542 . . . . 0.0 110.69 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' H' H ' 23' ' ' GLY . . . . . . . . . . . . . . . 109.91 171.0 20.15 Favored Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -178.678 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' H' H ' 24' ' ' PHE . . . . . 0.621 ' HZ ' ' HB ' ' H' ' 12' ' ' VAL . 51.1 p90 -154.35 -177.76 6.67 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.284 0.564 . . . . 0.0 110.922 -179.419 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' H' H ' 25' ' ' PHE . . . . . . . . . . . . . 7.3 p90 -123.6 140.23 53.21 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 178.259 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' H' H ' 26' ' ' TYR . . . . . 0.758 ' HE1' HD13 ' G' ' 2' ' ' ILE . 17.8 t80 -133.43 85.96 2.25 Favored 'General case' 0 N--CA 1.446 -0.639 0 C-N-CA 119.711 -0.796 . . . . 0.0 112.031 -178.706 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' H' H ' 27' ' ' THR . . . . . . . . . . . . . 11.4 m -114.67 84.58 10.27 Favored Pre-proline 0 C--N 1.318 -0.788 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 177.604 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' H' H ' 28' ' ' PRO . . . . . 0.413 ' HB2' ' CG2' ' G' ' 3' ' ' VAL . 85.7 Cg_endo -79.81 -3.28 12.72 Favored 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 122.659 2.24 . . . . 0.0 112.953 -177.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' H' H ' 29' ' ' LYS . . . . . . . . . . . . . 55.6 tttm -62.23 105.19 0.57 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.257 179.392 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' H' H ' 30' ' ' THR . . . . . . . . . . . . . 8.8 m . . . . . 0 C--O 1.256 1.413 0 CA-C-O 118.632 -0.699 . . . . 0.0 109.682 -179.553 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' I' I ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.745 0 N-CA-C 112.177 -0.369 . . . . 0.0 112.177 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' I' I ' 2' ' ' ILE . . . . . 0.772 HD13 ' HE1' ' J' ' 26' ' ' TYR . 11.6 tt -166.58 -26.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-O 120.88 0.371 . . . . 0.0 111.115 179.52 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' I' I ' 3' ' ' VAL . . . . . 0.402 ' CG2' ' HB2' ' J' ' 28' ' ' PRO . 38.3 t -59.01 -76.27 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.224 -0.26 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.214 -179.6 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' I' I ' 4' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -57.77 -33.96 69.08 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.372 0.606 . . . . 0.0 111.201 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' I' I ' 5' ' ' GLN . . . . . 0.431 ' HG2' ' SG ' ' I' ' 11' ' ' CYS . 16.8 tt0 -62.18 -47.15 85.75 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.414 -0.812 . . . . 0.0 113.01 -179.55 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' I' I ' 6' ' ' CYS . . . . . . . . . . . . . 81.5 m -101.55 -26.73 13.44 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 113.603 0.964 . . . . 0.0 113.603 -177.33 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' I' I ' 7' ' ' CYS . . . . . . . . . . . . . 11.4 t -78.47 -2.26 37.66 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 122.085 -0.385 . . . . 0.0 111.154 -179.021 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' I' I ' 8' ' ' THR . . . . . . . . . . . . . 13.3 t -82.95 -43.53 16.35 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 122.382 -0.199 . . . . 0.0 111.081 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' I' I ' 9' ' ' SER . . . . . 0.415 ' HA ' ' O ' ' B' ' 2' ' ' VAL . 23.1 p -164.01 26.14 0.07 Allowed 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 111.608 0.225 . . . . 0.0 111.608 -179.723 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' I' I ' 10' ' ' ILE . . . . . 0.801 HD13 ' HB3' ' B' ' 3' ' ' ASN . 1.7 mp 70.63 136.24 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.574 0 CA-C-O 121.987 0.898 . . . . 0.0 112.869 179.007 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' I' I ' 11' ' ' CYS . . . . . 0.582 ' HB3' ' HG2' ' I' ' 15' ' ' GLN . 97.1 m -95.06 157.5 15.87 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.026 -0.988 . . . . 0.0 109.51 178.649 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' I' I ' 12' ' ' SER . . . . . . . . . . . . . 50.7 m -72.55 166.82 21.93 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.882 0.372 . . . . 0.0 111.027 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' I' I ' 13' ' ' LEU . . . . . . . . . . . . . 8.5 tt -55.16 -53.05 60.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.92 -178.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -63.97 -24.59 67.78 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.642 0.238 . . . . 0.0 111.642 -179.215 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' I' I ' 15' ' ' GLN . . . . . 0.582 ' HG2' ' HB3' ' I' ' 11' ' ' CYS . 34.5 tp60 -67.12 -38.05 84.94 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.17 0.509 . . . . 0.0 109.941 179.208 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' I' I ' 16' ' ' LEU . . . . . 0.666 ' HB3' HD23 ' J' ' 15' ' ' LEU . 65.7 mt -72.7 -29.57 63.5 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.432 -179.679 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' I' I ' 17' ' ' GLU . . . . . . . . . . . . . 77.4 tt0 -61.05 -21.84 64.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.779 0.323 . . . . 0.0 111.322 -179.68 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' I' I ' 18' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -67.36 -13.58 62.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.749 0.309 . . . . 0.0 111.279 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' I' I ' 19' ' ' TYR . . . . . 0.43 ' HB2' HD22 ' J' ' 15' ' ' LEU . 52.1 m-85 -108.72 13.98 24.7 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.119 0.485 . . . . 0.0 110.745 -179.084 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' I' I ' 20' ' ' CYS . . . . . . . . . . . . . 1.1 m -86.89 157.43 19.53 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.306 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' I' I ' 21' ' ' ASN . . . . . . . . . . . . . 45.3 t-20 . . . . . 0 C--O 1.247 0.925 0 CA-C-O 118.379 -0.82 . . . . 0.0 109.465 179.486 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' J' J ' 1' ' ' PHE . . . . . . . . . . . . . 55.7 t80 . . . . . 0 N--CA 1.482 1.146 0 CA-C-O 120.378 0.132 . . . . 0.0 110.665 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' J' J ' 2' ' ' VAL . . . . . 0.425 ' O ' ' HA ' ' E' ' 9' ' ' SER . 33.9 m 47.08 -139.33 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 C-N-CA 124.12 0.968 . . . . 0.0 112.484 -178.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' J' J ' 3' ' ' ASN . . . . . 0.833 ' HB3' HD13 ' E' ' 10' ' ' ILE . 14.0 t-20 -161.71 168.67 22.87 Favored 'General case' 0 C--O 1.237 0.419 0 O-C-N 122.236 -0.29 . . . . 0.0 110.734 -177.373 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' J' J ' 4' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -45.59 -36.54 4.78 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 124.604 1.161 . . . . 0.0 111.092 177.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' J' J ' 5' ' ' HIS . . . . . 0.595 ' CE1' ' HA ' ' L' ' 17' ' ' LEU . 80.7 t60 -58.5 -17.5 21.74 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 114.796 -1.093 . . . . 0.0 112.861 -179.224 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' J' J ' 6' ' ' LEU . . . . . 0.484 HD23 ' HA ' ' J' ' 6' ' ' LEU . 12.9 mt -116.92 -47.69 2.68 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' J' J ' 7' ' ' CYS . . . . . . . . . . . . . 47.9 t -62.41 -43.73 98.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.581 0.229 . . . . 0.0 110.872 -178.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' J' J ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.58 -29.48 73.74 Favored Glycine 0 C--N 1.33 0.234 0 C-N-CA 120.993 -0.623 . . . . 0.0 112.512 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' J' J ' 9' ' ' SER . . . . . 0.482 ' HB3' ' HG2' ' L' ' 13' ' ' GLU . 4.7 m -66.55 -4.39 8.42 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 122.362 0.265 . . . . 0.0 111.679 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' J' J ' 10' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -122.72 -15.0 7.6 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 121.036 -0.266 . . . . 0.0 111.662 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' J' J ' 11' ' ' LEU . . . . . . . . . . . . . 27.4 mt -72.8 -17.74 61.54 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 177.816 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' J' J ' 12' ' ' VAL . . . . . 0.976 HG21 HG21 ' L' ' 12' ' ' VAL . 6.4 m -66.71 -38.78 82.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 CA-C-N 114.481 -1.236 . . . . 0.0 110.372 178.262 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' J' J ' 13' ' ' GLU . . . . . 0.486 ' HG2' ' HB3' ' L' ' 9' ' ' SER . 25.7 mt-10 -61.45 -34.42 75.39 Favored 'General case' 0 CA--C 1.52 -0.21 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 179.732 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' J' J ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.42 -50.47 67.43 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.984 178.476 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' J' J ' 15' ' ' LEU . . . . . 0.666 HD23 ' HB3' ' I' ' 16' ' ' LEU . 47.1 mt -61.2 -43.74 98.4 Favored 'General case' 0 C--O 1.225 -0.23 0 CA-C-O 121.817 0.818 . . . . 0.0 109.651 178.473 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' J' J ' 16' ' ' TYR . . . . . 0.557 ' CD2' ' HE2' ' J' ' 24' ' ' PHE . 0.7 OUTLIER -56.91 -48.19 78.82 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.209 -1.36 . . . . 0.0 111.811 -179.264 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' J' J ' 17' ' ' LEU . . . . . 0.569 ' HA ' ' CE1' ' L' ' 5' ' ' HIS . 1.9 mm? -59.69 -41.29 90.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.932 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 48.0 t -76.41 -33.61 23.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.344 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' J' J ' 19' ' ' CYS . . . . . 0.428 ' HB2' ' O ' ' J' ' 15' ' ' LEU . 0.1 OUTLIER -84.22 4.22 31.76 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 -178.649 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' J' J ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.84 -114.19 6.08 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.949 -0.644 . . . . 0.0 112.862 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' J' J ' 21' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -126.27 25.39 6.64 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.203 0.525 . . . . 0.0 110.358 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' J' J ' 22' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' J' ' 22' ' ' ARG . 34.4 ttm105 -83.36 -41.68 17.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.475 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' J' J ' 23' ' ' GLY . . . . . . . . . . . . . . . 108.94 171.04 20.88 Favored Glycine 0 N--CA 1.447 -0.602 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 -178.824 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' J' J ' 24' ' ' PHE . . . . . 0.642 ' HZ ' ' HB ' ' J' ' 12' ' ' VAL . 51.2 p90 -154.24 -177.6 6.55 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.203 0.525 . . . . 0.0 110.897 -179.6 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' J' J ' 25' ' ' PHE . . . . . . . . . . . . . 7.5 p90 -123.88 139.9 53.51 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 178.42 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' J' J ' 26' ' ' TYR . . . . . 0.772 ' HE1' HD13 ' I' ' 2' ' ' ILE . 17.1 t80 -133.12 86.47 2.31 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 119.683 -0.807 . . . . 0.0 112.084 -178.719 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' J' J ' 27' ' ' THR . . . . . . . . . . . . . 11.3 m -115.62 84.19 12.15 Favored Pre-proline 0 C--N 1.317 -0.846 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 177.717 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' J' J ' 28' ' ' PRO . . . . . 0.402 ' HB2' ' CG2' ' I' ' 3' ' ' VAL . 77.2 Cg_endo -79.43 -3.28 12.89 Favored 'Trans proline' 0 C--O 1.236 0.376 0 C-N-CA 122.902 2.402 . . . . 0.0 112.884 -177.838 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' J' J ' 29' ' ' LYS . . . . . . . . . . . . . 53.9 tttm -62.65 102.65 0.35 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.265 0.555 . . . . 0.0 110.168 179.584 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' J' J ' 30' ' ' THR . . . . . . . . . . . . . 7.6 m . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.481 -0.771 . . . . 0.0 109.705 -179.718 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.474 0 N-CA-C 111.78 -0.528 . . . . 0.0 111.78 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' K' K ' 2' ' ' ILE . . . . . 0.774 HD13 ' HE1' ' L' ' 26' ' ' TYR . 11.6 tt -167.18 -26.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 O-C-N 122.495 -0.415 . . . . 0.0 110.938 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' K' K ' 3' ' ' VAL . . . . . 0.409 ' CG2' ' HB2' ' L' ' 28' ' ' PRO . 40.8 t -59.0 -76.59 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.032 -179.677 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' K' K ' 4' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -57.76 -34.37 69.48 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.032 0.444 . . . . 0.0 110.849 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' K' K ' 5' ' ' GLN . . . . . 0.425 ' HG2' ' SG ' ' K' ' 11' ' ' CYS . 32.4 tt0 -61.67 -47.54 84.89 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 -179.374 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' K' K ' 6' ' ' CYS . . . . . . . . . . . . . 82.1 m -101.32 -26.98 13.43 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 113.548 0.944 . . . . 0.0 113.548 -177.419 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' K' K ' 7' ' ' CYS . . . . . . . . . . . . . 11.7 t -78.39 -1.73 34.88 Favored 'General case' 0 C--N 1.321 -0.664 0 O-C-N 121.879 -0.513 . . . . 0.0 111.274 -178.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' K' K ' 8' ' ' THR . . . . . . . . . . . . . 13.5 t -83.0 -44.44 15.24 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.631 -0.259 . . . . 0.0 110.979 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' K' K ' 9' ' ' SER . . . . . . . . . . . . . 11.9 p -163.3 26.18 0.09 Allowed 'General case' 0 C--O 1.232 0.173 0 CA-C-O 120.555 0.217 . . . . 0.0 111.509 -179.575 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' K' K ' 10' ' ' ILE . . . . . 0.827 HD13 ' HB3' ' H' ' 3' ' ' ASN . 1.7 mp 70.56 136.24 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 CA-C-O 121.86 0.838 . . . . 0.0 112.871 179.132 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' K' K ' 11' ' ' CYS . . . . . 0.588 ' HB3' ' HG2' ' K' ' 15' ' ' GLN . 98.4 m -94.69 157.58 15.89 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.087 -0.961 . . . . 0.0 109.592 178.452 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' K' K ' 12' ' ' SER . . . . . . . . . . . . . 46.9 m -71.89 168.01 18.83 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.72 0.295 . . . . 0.0 111.236 179.73 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' K' K ' 13' ' ' LEU . . . . . . . . . . . . . 8.5 tt -56.61 -52.92 63.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.851 -178.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -63.95 -25.08 67.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.647 0.26 . . . . 0.0 111.686 -179.279 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' K' K ' 15' ' ' GLN . . . . . 0.588 ' HG2' ' HB3' ' K' ' 11' ' ' CYS . 34.0 tp60 -66.83 -38.13 85.84 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.217 0.532 . . . . 0.0 109.819 179.584 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' K' K ' 16' ' ' LEU . . . . . 0.673 ' HB3' HD23 ' L' ' 15' ' ' LEU . 67.5 mt -72.57 -29.55 63.63 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.363 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' K' K ' 17' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -61.21 -21.52 63.91 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 121.014 0.435 . . . . 0.0 111.542 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' K' K ' 18' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -67.47 -14.65 63.12 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.939 0.4 . . . . 0.0 111.207 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' K' K ' 19' ' ' TYR . . . . . 0.435 ' HB2' HD22 ' L' ' 15' ' ' LEU . 50.4 m-85 -107.42 13.42 26.97 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.025 0.44 . . . . 0.0 110.984 -179.099 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' K' K ' 20' ' ' CYS . . . . . . . . . . . . . 1.1 m -85.6 158.71 20.04 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.323 179.47 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' K' K ' 21' ' ' ASN . . . . . . . . . . . . . 44.3 t-20 . . . . . 0 C--O 1.247 0.958 0 CA-C-O 118.224 -0.893 . . . . 0.0 109.345 179.437 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' L' L ' 1' ' ' PHE . . . . . . . . . . . . . 57.2 t80 . . . . . 0 N--CA 1.483 1.191 0 CA-C-O 120.301 0.096 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' L' L ' 2' ' ' VAL . . . . . 0.415 ' O ' ' HA ' ' C' ' 9' ' ' SER . 33.6 m 46.51 -139.6 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 C-N-CA 123.92 0.888 . . . . 0.0 112.536 -179.027 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' L' L ' 3' ' ' ASN . . . . . 0.803 ' HB3' HD13 ' C' ' 10' ' ' ILE . 16.2 t-20 -161.3 168.53 23.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 122.259 -0.275 . . . . 0.0 110.942 -177.388 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' L' L ' 4' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -45.26 -36.49 4.01 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 124.407 1.083 . . . . 0.0 111.082 178.02 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' L' L ' 5' ' ' HIS . . . . . 0.569 ' CE1' ' HA ' ' J' ' 17' ' ' LEU . 80.6 t60 -58.08 -17.92 21.3 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 114.817 -1.083 . . . . 0.0 112.991 -179.507 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' L' L ' 6' ' ' LEU . . . . . 0.461 HD23 ' HA ' ' L' ' 6' ' ' LEU . 13.0 mt -116.74 -48.12 2.68 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.038 0.384 . . . . 0.0 112.038 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' L' L ' 7' ' ' CYS . . . . . 0.402 ' O ' ' HG ' ' L' ' 11' ' ' LEU . 46.8 t -61.81 -44.17 97.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.643 0.258 . . . . 0.0 110.876 -179.071 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' L' L ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.0 -29.2 71.94 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.617 179.63 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' L' L ' 9' ' ' SER . . . . . 0.486 ' HB3' ' HG2' ' J' ' 13' ' ' GLU . 5.3 m -66.77 -4.57 9.41 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 122.392 0.277 . . . . 0.0 111.656 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' L' L ' 10' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -122.75 -14.54 7.68 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.651 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' L' L ' 11' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' L' ' 7' ' ' CYS . 26.5 mt -73.51 -17.49 61.21 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 177.865 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' L' L ' 12' ' ' VAL . . . . . 0.976 HG21 HG21 ' J' ' 12' ' ' VAL . 6.2 m -66.77 -38.9 82.45 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 CA-C-N 114.682 -1.145 . . . . 0.0 110.342 178.313 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' L' L ' 13' ' ' GLU . . . . . 0.482 ' HG2' ' HB3' ' J' ' 9' ' ' SER . 25.7 mt-10 -61.01 -34.74 75.29 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 179.698 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' L' L ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.27 -50.55 67.49 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.058 178.412 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' L' L ' 15' ' ' LEU . . . . . 0.673 HD23 ' HB3' ' K' ' 16' ' ' LEU . 44.7 mt -61.28 -43.73 98.4 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-O 121.776 0.798 . . . . 0.0 109.555 178.493 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' L' L ' 16' ' ' TYR . . . . . 0.566 ' CD2' ' HE2' ' L' ' 24' ' ' PHE . 0.6 OUTLIER -57.02 -47.86 79.87 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.418 -1.264 . . . . 0.0 111.841 -179.265 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' L' L ' 17' ' ' LEU . . . . . 0.595 ' HA ' ' CE1' ' J' ' 5' ' ' HIS . 1.9 mm? -59.54 -41.93 91.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.933 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 45.7 t -76.24 -32.71 22.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.467 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' L' L ' 19' ' ' CYS . . . . . 0.443 ' HB2' ' O ' ' L' ' 15' ' ' LEU . 0.1 OUTLIER -85.33 4.39 35.37 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -178.64 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' L' L ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.57 -114.76 6.59 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.971 -0.633 . . . . 0.0 112.776 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' L' L ' 21' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -125.18 24.54 7.42 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.023 0.44 . . . . 0.0 110.407 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' L' L ' 22' ' ' ARG . . . . . . . . . . . . . 34.4 ttm105 -82.0 -42.33 19.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.343 0.592 . . . . 0.0 110.453 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' L' L ' 23' ' ' GLY . . . . . . . . . . . . . . . 109.22 170.83 20.65 Favored Glycine 0 N--CA 1.443 -0.841 0 N-CA-C 110.596 -1.001 . . . . 0.0 110.596 -178.736 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' L' L ' 24' ' ' PHE . . . . . 0.642 ' HZ ' ' HB ' ' L' ' 12' ' ' VAL . 51.2 p90 -153.96 -177.38 6.36 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.325 0.583 . . . . 0.0 110.997 -179.628 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' L' L ' 25' ' ' PHE . . . . . . . . . . . . . 7.4 p90 -123.93 140.08 53.33 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 178.328 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' L' L ' 26' ' ' TYR . . . . . 0.774 ' HE1' HD13 ' K' ' 2' ' ' ILE . 17.6 t80 -133.38 85.94 2.25 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 119.674 -0.81 . . . . 0.0 112.066 -178.537 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' L' L ' 27' ' ' THR . . . . . . . . . . . . . 10.0 m -114.81 84.81 10.81 Favored Pre-proline 0 C--N 1.316 -0.857 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 177.787 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' L' L ' 28' ' ' PRO . . . . . 0.409 ' HB2' ' CG2' ' K' ' 3' ' ' VAL . 71.6 Cg_endo -80.34 -2.15 11.8 Favored 'Trans proline' 0 N--CA 1.461 -0.426 0 C-N-CA 122.872 2.382 . . . . 0.0 112.803 -177.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' L' L ' 29' ' ' LYS . . . . . . . . . . . . . 55.1 tttm . . . . . 0 C--N 1.327 -0.371 0 CA-C-O 121.399 0.619 . . . . 0.0 110.335 179.412 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.96 0 N-CA-C 111.631 -0.588 . . . . 0.0 111.631 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.6 tt -67.72 -37.57 78.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.649 0.261 . . . . 0.0 110.732 -179.299 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.584 ' O ' ' HB3' ' A' ' 7' ' ' CYS . 87.5 t -73.06 -45.09 55.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.928 0.87 . . . . 0.0 109.24 178.55 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -59.67 -29.49 68.11 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 114.57 -1.195 . . . . 0.0 111.544 179.43 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -101.35 -46.86 4.88 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 -177.596 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.492 ' HB3' ' HB2' ' A' ' 11' ' ' CYS . 39.6 m -108.05 8.41 28.22 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 -175.604 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.761 ' HB2' HD11 ' B' ' 11' ' ' LEU . 8.6 t -111.22 -13.56 13.97 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 121.514 0.673 . . . . 0.0 110.042 178.496 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.1 t -75.05 -14.99 60.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.317 0.58 . . . . 0.0 109.673 178.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.0 t 179.57 169.8 1.09 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 107.068 -1.456 . . . . 0.0 107.068 179.085 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.482 HG12 ' HB3' ' F' ' 5' ' ' HIS . 1.6 mp -62.66 120.36 8.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.861 0.838 . . . . 0.0 110.866 -179.29 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.492 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 2.8 t -80.59 160.77 25.02 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.257 -1.338 . . . . 0.0 110.596 -178.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.556 ' HB2' ' HB2' ' A' ' 15' ' ' GLN . 7.3 m -72.49 141.27 48.56 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.112 179.523 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.3 tt -58.21 -47.55 83.13 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 123.419 0.449 . . . . 0.0 110.99 -179.397 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -69.12 -25.18 64.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.435 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.556 ' HB2' ' HB2' ' A' ' 12' ' ' SER . 37.2 tt0 -72.61 -37.34 68.11 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.162 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.511 HD13 ' HB1' ' B' ' 14' ' ' ALA . 75.6 mt -73.63 -25.35 60.26 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.087 178.742 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -65.96 -25.04 66.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.632 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -78.11 -4.07 45.55 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.888 179.671 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 8.5 m-30 -89.59 -97.17 0.1 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.437 179.563 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.47 ' HB3' ' H ' ' A' ' 21' ' ' ASN . 52.3 m 55.44 -138.06 1.09 Allowed 'General case' 0 C--O 1.233 0.205 0 O-C-N 123.241 0.338 . . . . 0.0 110.879 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.731 ' HB2' ' HA ' ' B' ' 24' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--O 1.248 1.003 0 CA-C-O 117.921 -1.038 . . . . 0.0 109.268 179.411 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 5.6 p90 . . . . . 0 N--CA 1.481 1.117 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 2' ' ' VAL . . . . . 0.482 HG11 HD12 ' B' ' 6' ' ' LEU . 33.1 m -118.59 -156.2 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.8 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 28.1 t30 -143.74 -177.27 5.33 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.998 0.428 . . . . 0.0 111.137 -178.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -43.13 -39.9 3.01 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 114.562 -1.199 . . . . 0.0 112.61 179.301 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 5' ' ' HIS . . . . . 0.479 ' HB3' HG12 ' I' ' 10' ' ' ILE . 10.6 t60 -49.69 -47.26 50.41 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -179.509 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.482 HD12 HG11 ' B' ' 2' ' ' VAL . 43.2 mt -86.6 -24.68 25.29 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.412 -178.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 43.7 t -68.26 -46.34 70.69 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 177.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 8' ' ' GLY . . . . . 0.478 ' HA2' ' HG ' ' B' ' 11' ' ' LEU . . . -67.62 -20.33 71.89 Favored Glycine 0 N--CA 1.449 -0.462 0 CA-C-N 115.42 -0.809 . . . . 0.0 112.728 179.253 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 9' ' ' SER . . . . . 0.459 ' HB3' ' O ' ' B' ' 6' ' ' LEU . 2.0 t -60.98 -19.11 60.74 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.466 0.651 . . . . 0.0 109.729 178.463 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -109.99 -20.69 12.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.851 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.761 HD11 ' HB2' ' A' ' 7' ' ' CYS . 73.4 mt -66.35 -30.86 71.34 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 178.708 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.484 ' O ' ' HB2' ' B' ' 16' ' ' TYR . 20.4 m -67.35 -33.27 61.53 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.121 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.334 178.805 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 74.4 mt-10 -57.3 -53.94 52.41 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-O 121.408 0.623 . . . . 0.0 110.167 179.446 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 14' ' ' ALA . . . . . 0.511 ' HB1' HD13 ' A' ' 16' ' ' LEU . . . -56.05 -56.12 24.68 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.879 -1.055 . . . . 0.0 111.878 -179.51 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 89.7 mt -55.17 -46.33 75.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.158 0.504 . . . . 0.0 111.637 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 16' ' ' TYR . . . . . 0.566 ' HE2' ' HE2' ' D' ' 26' ' ' TYR . 0.2 OUTLIER -62.15 -54.19 44.65 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.995 -178.745 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.422 HD13 ' NE2' ' D' ' 5' ' ' HIS . 4.3 mm? -60.97 -46.12 92.02 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 -178.809 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 99.1 t -66.12 -40.23 86.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 -179.238 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -76.29 -23.57 54.38 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.759 -179.182 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.11 -132.49 11.12 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.425 179.424 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.503 ' OE2' ' HB2' ' D' ' 5' ' ' HIS . 26.9 mm-40 -88.34 49.55 1.81 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.441 0.639 . . . . 0.0 109.702 179.331 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -125.3 -177.2 3.8 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.457 179.681 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 23' ' ' GLY . . . . . 0.809 ' HA2' ' HD2' ' D' ' 28' ' ' PRO . . . -113.27 175.69 16.77 Favored Glycine 0 N--CA 1.44 -1.045 0 C-N-CA 120.324 -0.941 . . . . 0.0 112.52 179.622 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 24' ' ' PHE . . . . . 0.731 ' HA ' ' HB2' ' A' ' 21' ' ' ASN . 5.7 p90 -151.34 141.54 22.28 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-O 121.488 0.661 . . . . 0.0 111.017 179.22 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 25' ' ' PHE . . . . . 0.487 ' HA ' ' HA ' ' D' ' 25' ' ' PHE . 11.0 p90 -99.12 101.32 12.63 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 106.926 -1.509 . . . . 0.0 106.926 177.432 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.573 ' HE2' ' HE2' ' D' ' 16' ' ' TYR . 12.0 t80 -107.14 102.96 12.25 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.45 -177.406 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 27' ' ' THR . . . . . 0.696 ' HA ' ' HA3' ' D' ' 23' ' ' GLY . 0.5 OUTLIER -114.34 82.29 7.35 Favored Pre-proline 0 C--N 1.321 -0.662 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.441 -179.029 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 28' ' ' PRO . . . . . 0.808 ' HD2' ' HA2' ' D' ' 23' ' ' GLY . 48.9 Cg_endo -70.48 82.3 0.91 Allowed 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.522 2.148 . . . . 0.0 110.452 178.638 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -134.05 149.21 51.15 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.597 -178.248 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 22.5 m . . . . . 0 C--O 1.254 1.29 0 CA-C-O 118.22 -0.895 . . . . 0.0 108.974 178.856 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.736 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 14.5 tt -63.89 -39.96 87.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.838 0.319 . . . . 0.0 111.09 -179.512 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 3' ' ' VAL . . . . . 0.589 ' O ' ' HB3' ' C' ' 7' ' ' CYS . 94.2 t -71.16 -44.63 73.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.722 0.772 . . . . 0.0 109.436 178.602 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -59.72 -30.19 68.64 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 114.644 -1.162 . . . . 0.0 111.688 179.601 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -100.82 -46.86 5.0 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 -177.613 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 6' ' ' CYS . . . . . 0.492 ' HB3' ' HB2' ' C' ' 11' ' ' CYS . 40.5 m -107.65 8.6 29.16 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 115.017 1.488 . . . . 0.0 115.017 -175.63 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 7' ' ' CYS . . . . . 0.761 ' HB2' HD11 ' D' ' 11' ' ' LEU . 8.6 t -111.28 -13.91 13.88 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 118.737 0.699 . . . . 0.0 110.139 178.693 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 10.3 t -75.4 -13.43 60.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.308 0.575 . . . . 0.0 109.78 178.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 25.9 t 178.29 169.28 0.79 Allowed 'General case' 0 CA--C 1.513 -0.47 0 N-CA-C 107.165 -1.42 . . . . 0.0 107.165 179.168 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 10' ' ' ILE . . . . . 0.478 HG12 ' HB3' ' L' ' 5' ' ' HIS . 1.6 mp -62.25 121.5 10.92 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.715 0 CA-C-O 121.965 0.888 . . . . 0.0 110.644 -179.399 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 11' ' ' CYS . . . . . 0.492 ' HB2' ' HB3' ' C' ' 6' ' ' CYS . 2.7 t -82.12 159.99 23.23 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 114.349 -1.296 . . . . 0.0 110.535 -178.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 12' ' ' SER . . . . . 0.576 ' HB2' ' HB2' ' C' ' 15' ' ' GLN . 6.8 m -71.37 140.9 50.34 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.304 179.595 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 10.3 tt -57.78 -47.37 82.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.991 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -68.68 -26.12 65.14 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.481 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 15' ' ' GLN . . . . . 0.576 ' HB2' ' HB2' ' C' ' 12' ' ' SER . 37.2 tt0 -71.14 -39.5 71.93 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 179.048 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 16' ' ' LEU . . . . . 0.519 HD13 ' HB1' ' D' ' 14' ' ' ALA . 73.8 mt -71.61 -25.66 62.26 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.092 178.625 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -66.44 -22.81 66.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.588 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -81.31 -0.65 41.92 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.786 179.578 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -92.85 -96.68 0.14 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.286 179.382 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 20' ' ' CYS . . . . . 0.46 ' HB3' ' H ' ' C' ' 21' ' ' ASN . 53.1 m 55.08 -138.42 1.08 Allowed 'General case' 0 N--CA 1.465 0.308 0 O-C-N 123.18 0.3 . . . . 0.0 111.127 179.765 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 21' ' ' ASN . . . . . 0.714 ' HB2' ' HA ' ' D' ' 24' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--O 1.251 1.134 0 CA-C-O 118.48 -0.771 . . . . 0.0 109.14 179.327 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 5.7 p90 . . . . . 0 N--CA 1.48 1.072 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' D' D ' 2' ' ' VAL . . . . . 0.469 HG11 HD12 ' D' ' 6' ' ' LEU . 32.7 m -119.28 -156.94 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.835 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 3' ' ' ASN . . . . . . . . . . . . . 25.7 t30 -142.53 -177.14 5.14 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.842 0.353 . . . . 0.0 111.228 -178.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 4' ' ' GLN . . . . . 0.409 ' CD ' ' HB2' ' D' ' 28' ' ' PRO . 24.3 tt0 -43.17 -40.25 3.23 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 124.552 1.141 . . . . 0.0 112.301 179.34 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 5' ' ' HIS . . . . . 0.503 ' HB2' ' OE2' ' B' ' 21' ' ' GLU . 10.5 t60 -49.05 -47.68 44.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 112.028 -179.394 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 6' ' ' LEU . . . . . 0.47 ' O ' ' HB3' ' D' ' 9' ' ' SER . 47.3 mt -86.53 -24.62 25.44 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.504 -178.761 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 7' ' ' CYS . . . . . . . . . . . . . 41.6 t -68.32 -45.94 71.56 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 177.796 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 8' ' ' GLY . . . . . 0.49 ' HA2' ' HG ' ' D' ' 11' ' ' LEU . . . -67.86 -20.72 72.73 Favored Glycine 0 N--CA 1.448 -0.523 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.65 179.237 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 9' ' ' SER . . . . . 0.47 ' HB3' ' O ' ' D' ' 6' ' ' LEU . 2.1 t -60.5 -19.23 56.26 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.368 0.604 . . . . 0.0 109.82 178.351 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 10' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -110.0 -20.52 12.7 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.831 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 11' ' ' LEU . . . . . 0.761 HD11 ' HB2' ' C' ' 7' ' ' CYS . 71.7 mt -66.54 -30.63 70.99 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 178.638 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 12' ' ' VAL . . . . . 0.47 ' O ' ' HB2' ' D' ' 16' ' ' TYR . 20.8 m -67.48 -33.11 60.28 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.104 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.223 178.822 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -57.54 -54.21 49.4 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-O 121.36 0.6 . . . . 0.0 110.079 179.536 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 14' ' ' ALA . . . . . 0.519 ' HB1' HD13 ' C' ' 16' ' ' LEU . . . -55.46 -56.94 14.38 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.998 -1.001 . . . . 0.0 111.752 -179.644 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 89.7 mt -54.79 -46.62 74.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.722 -179.644 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 16' ' ' TYR . . . . . 0.573 ' HE2' ' HE2' ' B' ' 26' ' ' TYR . 0.2 OUTLIER -61.69 -53.53 54.83 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.9 -178.833 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' D' D ' 17' ' ' LEU . . . . . 0.425 HD13 ' NE2' ' B' ' 5' ' ' HIS . 4.3 mm? -61.46 -46.9 88.08 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -178.732 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 97.0 t -65.67 -38.82 83.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -179.296 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -77.33 -24.75 50.74 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 122.146 -0.346 . . . . 0.0 111.565 -179.177 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.08 -132.33 11.01 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.223 179.632 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 21' ' ' GLU . . . . . 0.462 ' OE2' ' HB2' ' B' ' 5' ' ' HIS . 28.0 mm-40 -88.3 50.16 1.92 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.601 0.715 . . . . 0.0 109.75 179.33 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 22' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -125.21 -176.0 3.46 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.278 -0.874 . . . . 0.0 109.44 179.717 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 23' ' ' GLY . . . . . 0.808 ' HA2' ' HD2' ' B' ' 28' ' ' PRO . . . -113.9 176.11 16.88 Favored Glycine 0 N--CA 1.443 -0.891 0 C-N-CA 120.383 -0.913 . . . . 0.0 112.609 179.637 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 24' ' ' PHE . . . . . 0.714 ' HA ' ' HB2' ' C' ' 21' ' ' ASN . 5.6 p90 -152.22 140.95 20.92 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-O 121.361 0.601 . . . . 0.0 111.077 179.187 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 25' ' ' PHE . . . . . 0.487 ' HA ' ' HA ' ' B' ' 25' ' ' PHE . 11.9 p90 -98.92 100.52 11.71 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 106.927 -1.509 . . . . 0.0 106.927 177.635 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 26' ' ' TYR . . . . . 0.566 ' HE2' ' HE2' ' B' ' 16' ' ' TYR . 11.8 t80 -106.41 103.43 12.89 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.528 -177.402 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 27' ' ' THR . . . . . 0.703 ' HA ' ' HA3' ' B' ' 23' ' ' GLY . 0.4 OUTLIER -114.73 81.88 7.62 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.65 -178.727 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' D' D ' 28' ' ' PRO . . . . . 0.809 ' HD2' ' HA2' ' B' ' 23' ' ' GLY . 55.5 Cg_endo -70.58 82.92 0.88 Allowed 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 122.332 2.021 . . . . 0.0 110.592 178.663 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 56.9 tttp -134.47 149.29 50.71 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.519 -178.42 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 21.2 m . . . . . 0 C--O 1.252 1.221 0 CA-C-O 117.891 -1.052 . . . . 0.0 108.734 178.829 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.852 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' E' E ' 2' ' ' ILE . . . . . . . . . . . . . 13.8 tt -64.45 -37.79 80.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.81 0.305 . . . . 0.0 111.281 -179.053 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 3' ' ' VAL . . . . . 0.587 ' O ' ' HB3' ' E' ' 7' ' ' CYS . 90.1 t -73.31 -44.26 55.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.674 0.75 . . . . 0.0 109.21 178.407 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' E' E ' 4' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -59.86 -29.66 68.45 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 114.806 -1.088 . . . . 0.0 111.635 179.467 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -101.72 -46.74 4.84 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 114.011 1.115 . . . . 0.0 114.011 -177.632 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 6' ' ' CYS . . . . . 0.444 ' HB3' ' HB2' ' E' ' 11' ' ' CYS . 45.5 m -107.96 8.92 28.67 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 115.065 1.505 . . . . 0.0 115.065 -175.561 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' E' E ' 7' ' ' CYS . . . . . 0.754 ' HB2' HD11 ' F' ' 11' ' ' LEU . 8.6 t -111.59 -13.21 13.83 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 121.638 -0.664 . . . . 0.0 110.199 178.767 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 9.2 t -76.22 -12.73 60.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.697 178.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 9' ' ' SER . . . . . . . . . . . . . 19.4 t 177.0 168.15 0.54 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.158 -1.423 . . . . 0.0 107.158 179.3 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 10' ' ' ILE . . . . . 0.465 HG12 ' HB3' ' J' ' 5' ' ' HIS . 1.6 mp -61.43 121.78 10.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 121.649 0.738 . . . . 0.0 110.548 -179.293 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' E' E ' 11' ' ' CYS . . . . . 0.444 ' HB2' ' HB3' ' E' ' 6' ' ' CYS . 2.9 t -83.13 159.65 22.03 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 114.152 -1.385 . . . . 0.0 110.63 -178.833 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' E' E ' 12' ' ' SER . . . . . 0.596 ' HB2' ' HB2' ' E' ' 15' ' ' GLN . 6.0 m -70.1 142.27 52.64 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.458 179.601 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 10.3 tt -59.93 -46.39 89.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.954 0.407 . . . . 0.0 110.779 -179.62 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -69.94 -25.4 63.64 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.526 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 15' ' ' GLN . . . . . 0.596 ' HB2' ' HB2' ' E' ' 12' ' ' SER . 36.7 tt0 -72.2 -38.32 69.05 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 178.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' E' E ' 16' ' ' LEU . . . . . 0.528 HD13 ' HB1' ' F' ' 14' ' ' ALA . 77.1 mt -72.84 -25.04 60.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.092 178.693 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' E' E ' 17' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -66.77 -23.86 66.13 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.72 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 18' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -78.83 -4.34 49.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.955 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 19' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -89.49 -97.87 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.443 179.663 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 20' ' ' CYS . . . . . 0.486 ' HB3' ' H ' ' E' ' 21' ' ' ASN . 44.5 m 56.1 -138.23 1.03 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.048 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' E' E ' 21' ' ' ASN . . . . . 0.748 ' HB2' ' HA ' ' F' ' 24' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.163 -0.922 . . . . 0.0 109.238 179.664 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' F' F ' 1' ' ' PHE . . . . . . . . . . . . . 5.4 p90 . . . . . 0 N--CA 1.481 1.11 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' F' F ' 2' ' ' VAL . . . . . 0.502 HG11 HD12 ' F' ' 6' ' ' LEU . 32.8 m -118.53 -156.47 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.709 179.642 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' F' F ' 3' ' ' ASN . . . . . . . . . . . . . 28.9 t30 -143.52 -177.48 5.41 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 120.821 0.343 . . . . 0.0 111.256 -178.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 4' ' ' GLN . . . . . 0.439 ' CD ' ' HB2' ' F' ' 28' ' ' PRO . 23.8 tt0 -42.74 -40.71 2.91 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 124.488 1.115 . . . . 0.0 112.423 179.296 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' F' F ' 5' ' ' HIS . . . . . 0.482 ' HB3' HG12 ' A' ' 10' ' ' ILE . 11.1 t60 -48.89 -47.62 43.01 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -179.414 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' F' F ' 6' ' ' LEU . . . . . 0.502 HD12 HG11 ' F' ' 2' ' ' VAL . 42.9 mt -86.28 -24.69 25.86 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.484 -178.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' F' F ' 7' ' ' CYS . . . . . . . . . . . . . 42.2 t -68.32 -46.01 71.38 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 177.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 8' ' ' GLY . . . . . 0.506 ' HA2' ' HG ' ' F' ' 11' ' ' LEU . . . -67.98 -20.42 72.69 Favored Glycine 0 N--CA 1.447 -0.571 0 CA-C-N 115.361 -0.836 . . . . 0.0 112.619 179.394 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' F' F ' 9' ' ' SER . . . . . 0.469 ' HB3' ' O ' ' F' ' 6' ' ' LEU . 2.0 t -60.88 -19.0 59.48 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.405 0.621 . . . . 0.0 109.684 178.509 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' F' F ' 10' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -110.09 -20.83 12.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.819 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 11' ' ' LEU . . . . . 0.754 HD11 ' HB2' ' E' ' 7' ' ' CYS . 69.8 mt -66.32 -30.88 71.38 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 178.621 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' F' F ' 12' ' ' VAL . . . . . 0.484 ' O ' ' HB2' ' F' ' 16' ' ' TYR . 21.0 m -67.14 -33.27 62.03 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.081 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.486 178.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' F' F ' 13' ' ' GLU . . . . . . . . . . . . . 74.5 mt-10 -57.47 -54.36 47.72 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 121.305 0.574 . . . . 0.0 110.032 179.467 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 14' ' ' ALA . . . . . 0.528 ' HB1' HD13 ' E' ' 16' ' ' LEU . . . -55.59 -56.51 19.43 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.892 -1.049 . . . . 0.0 111.678 -179.672 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' F' F ' 15' ' ' LEU . . . . . . . . . . . . . 92.8 mt -54.89 -46.26 74.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.731 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 16' ' ' TYR . . . . . 0.551 ' HE2' ' HE2' ' H' ' 26' ' ' TYR . 0.2 OUTLIER -62.58 -53.78 49.57 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.976 -178.604 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' F' F ' 17' ' ' LEU . . . . . 0.405 HD13 ' NE2' ' H' ' 5' ' ' HIS . 4.3 mm? -61.09 -46.2 91.62 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -178.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 96.4 t -66.24 -40.35 86.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -179.111 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -75.01 -26.98 59.93 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.673 -179.189 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' F' F ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.32 -131.6 10.62 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.234 179.736 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 21' ' ' GLU . . . . . 0.45 ' OE2' ' HB2' ' H' ' 5' ' ' HIS . 33.3 mm-40 -88.9 48.19 1.6 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.563 0.697 . . . . 0.0 109.748 179.351 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' F' F ' 22' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -123.71 -177.26 3.68 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.606 179.685 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 23' ' ' GLY . . . . . 0.794 ' HA2' ' HD2' ' H' ' 28' ' ' PRO . . . -113.64 175.17 16.22 Favored Glycine 0 N--CA 1.442 -0.965 0 C-N-CA 120.367 -0.921 . . . . 0.0 112.54 179.74 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' F' F ' 24' ' ' PHE . . . . . 0.748 ' HA ' ' HB2' ' E' ' 21' ' ' ASN . 5.7 p90 -150.9 141.6 22.72 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.478 0.656 . . . . 0.0 111.116 179.491 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' F' F ' 25' ' ' PHE . . . . . 0.503 ' HA ' ' HA ' ' H' ' 25' ' ' PHE . 11.2 p90 -99.05 100.57 11.74 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 106.839 -1.541 . . . . 0.0 106.839 177.7 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' F' F ' 26' ' ' TYR . . . . . 0.566 ' HE2' ' HE2' ' H' ' 16' ' ' TYR . 12.1 t80 -106.77 103.01 12.35 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.649 -177.256 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' F' F ' 27' ' ' THR . . . . . 0.691 ' HA ' ' HA3' ' H' ' 23' ' ' GLY . 0.3 OUTLIER -114.26 82.05 7.02 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.816 -178.92 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' F' F ' 28' ' ' PRO . . . . . 0.807 ' HD2' ' HA2' ' H' ' 23' ' ' GLY . 55.5 Cg_endo -70.24 82.43 0.85 Allowed 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.268 1.979 . . . . 0.0 110.555 178.536 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' F' F ' 29' ' ' LYS . . . . . . . . . . . . . 56.3 tttp -134.48 147.85 50.45 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.564 -178.391 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 30' ' ' THR . . . . . . . . . . . . . 18.9 m . . . . . 0 C--O 1.252 1.184 0 CA-C-O 117.64 -1.172 . . . . 0.0 108.5 178.622 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' G' G ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.411 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' G' G ' 2' ' ' ILE . . . . . . . . . . . . . 14.2 tt -64.65 -38.8 83.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.881 0.341 . . . . 0.0 110.958 -179.365 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' G' G ' 3' ' ' VAL . . . . . 0.572 ' O ' ' HB3' ' G' ' 7' ' ' CYS . 90.5 t -72.32 -43.87 64.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.923 0.868 . . . . 0.0 109.523 178.737 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' G' G ' 4' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -60.02 -32.29 70.74 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 114.998 -1.001 . . . . 0.0 111.54 179.469 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' G' G ' 5' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -98.5 -46.54 5.71 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 -177.471 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' G' G ' 6' ' ' CYS . . . . . 0.456 ' HB3' ' HB2' ' G' ' 11' ' ' CYS . 44.4 m -108.03 8.16 28.15 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 115.129 1.529 . . . . 0.0 115.129 -175.65 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' G' G ' 7' ' ' CYS . . . . . 0.762 ' HB2' HD11 ' H' ' 11' ' ' LEU . 7.6 t -111.1 -12.74 14.13 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 118.67 0.668 . . . . 0.0 110.184 178.694 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' G' G ' 8' ' ' THR . . . . . . . . . . . . . 9.7 t -75.9 -13.83 60.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.352 0.596 . . . . 0.0 109.607 178.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' G' G ' 9' ' ' SER . . . . . . . . . . . . . 14.3 t 178.01 168.77 0.74 Allowed 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 106.977 -1.49 . . . . 0.0 106.977 179.367 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' G' G ' 10' ' ' ILE . . . . . 0.453 HG12 ' HB3' ' D' ' 5' ' ' HIS . 1.6 mp -61.46 122.77 12.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-O 121.736 0.779 . . . . 0.0 110.5 -179.449 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' G' G ' 11' ' ' CYS . . . . . 0.456 ' HB2' ' HB3' ' G' ' 6' ' ' CYS . 2.5 t -83.75 160.97 21.15 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 114.142 -1.39 . . . . 0.0 110.41 -178.875 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' G' G ' 12' ' ' SER . . . . . 0.59 ' HB2' ' HB2' ' G' ' 15' ' ' GLN . 6.6 m -72.06 140.65 49.08 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.494 179.691 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' G' G ' 13' ' ' LEU . . . . . . . . . . . . . 10.2 tt -57.75 -47.53 82.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.854 -179.534 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -69.86 -23.99 63.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.524 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' G' G ' 15' ' ' GLN . . . . . 0.59 ' HB2' ' HB2' ' G' ' 12' ' ' SER . 37.0 tt0 -73.45 -37.69 65.73 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.995 -0.742 . . . . 0.0 108.995 179.004 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' G' G ' 16' ' ' LEU . . . . . 0.488 HD13 ' HB1' ' H' ' 14' ' ' ALA . 71.2 mt -73.37 -24.65 60.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.012 178.533 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' G' G ' 17' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -67.08 -22.91 65.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.573 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' G' G ' 18' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -81.03 -1.12 42.72 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 121.082 0.468 . . . . 0.0 110.825 179.625 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' G' G ' 19' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -92.17 -97.77 0.13 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.122 179.353 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' G' G ' 20' ' ' CYS . . . . . 0.453 ' HB3' ' H ' ' G' ' 21' ' ' ASN . 51.7 m 55.81 -138.49 1.03 Allowed 'General case' 0 C--O 1.233 0.188 0 O-C-N 123.203 0.315 . . . . 0.0 111.074 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' G' G ' 21' ' ' ASN . . . . . 0.737 ' HB2' ' HA ' ' H' ' 24' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--O 1.247 0.951 0 CA-C-O 117.964 -1.017 . . . . 0.0 109.012 179.449 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' H' H ' 1' ' ' PHE . . . . . . . . . . . . . 5.3 p90 . . . . . 0 N--CA 1.483 1.212 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' H' H ' 2' ' ' VAL . . . . . 0.496 HG11 HD12 ' H' ' 6' ' ' LEU . 32.7 m -118.5 -157.69 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 C-N-CA 121.257 -0.177 . . . . 0.0 110.604 179.62 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' H' H ' 3' ' ' ASN . . . . . . . . . . . . . 32.7 t30 -142.67 -176.75 4.99 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 120.843 0.354 . . . . 0.0 111.323 -178.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' H' H ' 4' ' ' GLN . . . . . 0.423 ' CD ' ' HB2' ' H' ' 28' ' ' PRO . 24.2 tt0 -42.34 -41.1 2.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 114.632 -1.167 . . . . 0.0 112.53 179.366 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' H' H ' 5' ' ' HIS . . . . . 0.49 ' HB3' HG12 ' K' ' 10' ' ' ILE . 10.1 t60 -48.72 -47.94 40.83 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 112.019 0.377 . . . . 0.0 112.019 -179.395 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' H' H ' 6' ' ' LEU . . . . . 0.496 HD12 HG11 ' H' ' 2' ' ' VAL . 39.2 mt -85.86 -24.72 26.58 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.596 -178.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' H' H ' 7' ' ' CYS . . . . . . . . . . . . . 43.0 t -68.54 -45.87 71.04 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 177.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' H' H ' 8' ' ' GLY . . . . . 0.511 ' HA2' ' HG ' ' H' ' 11' ' ' LEU . . . -67.77 -21.22 72.94 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.443 -0.799 . . . . 0.0 112.626 179.423 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' H' H ' 9' ' ' SER . . . . . 0.457 ' HB3' ' O ' ' H' ' 6' ' ' LEU . 2.1 t -60.18 -19.43 54.0 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.401 0.62 . . . . 0.0 109.829 178.47 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' H' H ' 10' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -109.73 -20.81 12.68 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.843 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' H' H ' 11' ' ' LEU . . . . . 0.762 HD11 ' HB2' ' G' ' 7' ' ' CYS . 69.3 mt -66.47 -30.75 71.16 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 178.822 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' H' H ' 12' ' ' VAL . . . . . 0.491 ' O ' ' HB2' ' H' ' 16' ' ' TYR . 20.8 m -67.24 -33.53 63.43 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.114 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.261 178.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' H' H ' 13' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -57.18 -54.73 43.52 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-O 121.358 0.599 . . . . 0.0 109.93 179.464 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' H' H ' 14' ' ' ALA . . . . . 0.488 ' HB1' HD13 ' G' ' 16' ' ' LEU . . . -55.3 -56.8 15.88 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.831 -1.077 . . . . 0.0 111.811 -179.66 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' H' H ' 15' ' ' LEU . . . . . . . . . . . . . 95.6 mt -54.35 -47.24 72.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.066 0.46 . . . . 0.0 111.737 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' H' H ' 16' ' ' TYR . . . . . 0.566 ' HE2' ' HE2' ' F' ' 26' ' ' TYR . 0.2 OUTLIER -61.39 -53.81 51.81 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.038 -178.816 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' H' H ' 17' ' ' LEU . . . . . 0.443 HD13 ' NE2' ' F' ' 5' ' ' HIS . 4.3 mm? -61.25 -45.91 92.57 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -178.817 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 95.0 t -66.78 -38.31 81.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 112.257 0.465 . . . . 0.0 112.257 -179.135 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' H' H ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -77.6 -25.79 50.17 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.93 -0.308 . . . . 0.0 111.453 -178.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' H' H ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.33 -132.69 11.26 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.285 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' H' H ' 21' ' ' GLU . . . . . 0.466 ' OE2' ' HB2' ' F' ' 5' ' ' HIS . 30.1 mm-40 -87.54 46.41 1.38 Allowed 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.546 0.689 . . . . 0.0 110.148 179.543 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' H' H ' 22' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -121.63 -175.93 3.2 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.916 179.683 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' H' H ' 23' ' ' GLY . . . . . 0.807 ' HA2' ' HD2' ' F' ' 28' ' ' PRO . . . -114.31 175.79 16.49 Favored Glycine 0 N--CA 1.443 -0.835 0 C-N-CA 120.436 -0.888 . . . . 0.0 112.633 179.67 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' H' H ' 24' ' ' PHE . . . . . 0.737 ' HA ' ' HB2' ' G' ' 21' ' ' ASN . 5.6 p90 -151.87 140.77 21.04 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-O 121.255 0.55 . . . . 0.0 111.246 179.304 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' H' H ' 25' ' ' PHE . . . . . 0.503 ' HA ' ' HA ' ' F' ' 25' ' ' PHE . 11.2 p90 -98.42 101.03 12.36 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 106.891 -1.522 . . . . 0.0 106.891 177.542 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' H' H ' 26' ' ' TYR . . . . . 0.551 ' HE2' ' HE2' ' F' ' 16' ' ' TYR . 11.7 t80 -106.84 103.29 12.69 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.446 -177.292 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' H' H ' 27' ' ' THR . . . . . 0.71 ' HA ' ' HA3' ' F' ' 23' ' ' GLY . 0.6 OUTLIER -114.72 82.47 8.13 Favored Pre-proline 0 C--N 1.319 -0.718 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.569 -178.851 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' H' H ' 28' ' ' PRO . . . . . 0.794 ' HD2' ' HA2' ' F' ' 23' ' ' GLY . 51.2 Cg_endo -70.41 83.07 0.83 Allowed 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.314 2.009 . . . . 0.0 110.502 178.527 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' H' H ' 29' ' ' LYS . . . . . . . . . . . . . 56.7 tttp -134.98 148.28 49.95 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.738 -178.31 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' H' H ' 30' ' ' THR . . . . . . . . . . . . . 20.0 m . . . . . 0 C--O 1.253 1.284 0 CA-C-O 117.935 -1.031 . . . . 0.0 108.839 178.96 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' I' I ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.684 0 N-CA-C 111.577 -0.609 . . . . 0.0 111.577 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' I' I ' 2' ' ' ILE . . . . . . . . . . . . . 14.1 tt -64.77 -37.52 80.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.61 0.243 . . . . 0.0 111.329 -178.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' I' I ' 3' ' ' VAL . . . . . 0.575 ' O ' ' HB3' ' I' ' 7' ' ' CYS . 93.4 t -74.14 -42.81 51.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.931 0.872 . . . . 0.0 109.192 178.792 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' I' I ' 4' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -61.21 -30.59 70.52 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 114.632 -1.167 . . . . 0.0 111.43 179.331 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' I' I ' 5' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -100.23 -46.42 5.29 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 114.404 1.261 . . . . 0.0 114.404 -177.568 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' I' I ' 6' ' ' CYS . . . . . 0.503 ' HB3' ' HB2' ' I' ' 11' ' ' CYS . 48.8 m -108.11 7.71 27.76 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 114.87 1.433 . . . . 0.0 114.87 -175.568 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' I' I ' 7' ' ' CYS . . . . . 0.759 ' HB2' HD11 ' J' ' 11' ' ' LEU . 8.5 t -110.61 -13.1 14.27 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 118.695 0.679 . . . . 0.0 110.151 178.609 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' I' I ' 8' ' ' THR . . . . . . . . . . . . . 10.0 t -75.59 -13.59 60.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.32 0.581 . . . . 0.0 109.792 178.808 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' I' I ' 9' ' ' SER . . . . . . . . . . . . . 22.8 t 178.21 168.96 0.78 Allowed 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 106.953 -1.499 . . . . 0.0 106.953 179.452 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' I' I ' 10' ' ' ILE . . . . . 0.479 HG12 ' HB3' ' B' ' 5' ' ' HIS . 1.6 mp -61.96 122.94 13.77 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.715 0 CA-C-O 121.664 0.745 . . . . 0.0 110.451 -179.453 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' I' I ' 11' ' ' CYS . . . . . 0.503 ' HB2' ' HB3' ' I' ' 6' ' ' CYS . 2.9 t -84.08 159.97 21.03 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 114.269 -1.332 . . . . 0.0 110.576 -178.588 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' I' I ' 12' ' ' SER . . . . . 0.594 ' HB2' ' HB2' ' I' ' 15' ' ' GLN . 3.6 m -69.6 142.32 53.55 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.228 179.517 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' I' I ' 13' ' ' LEU . . . . . . . . . . . . . 10.3 tt -59.77 -47.54 85.27 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.87 0.367 . . . . 0.0 110.537 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -68.93 -25.78 64.74 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.558 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' I' I ' 15' ' ' GLN . . . . . 0.594 ' HB2' ' HB2' ' I' ' 12' ' ' SER . 37.9 tt0 -72.48 -37.41 68.46 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 179.105 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' I' I ' 16' ' ' LEU . . . . . 0.501 HD13 ' HB1' ' J' ' 14' ' ' ALA . 65.5 mt -73.48 -24.51 60.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.06 178.558 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' I' I ' 17' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -67.58 -22.55 65.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.545 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' I' I ' 18' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -81.44 -0.43 41.56 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 121.072 0.463 . . . . 0.0 110.667 179.646 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' I' I ' 19' ' ' TYR . . . . . . . . . . . . . 8.8 m-30 -93.0 -96.95 0.14 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.188 179.407 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' I' I ' 20' ' ' CYS . . . . . 0.468 ' HB3' ' H ' ' I' ' 21' ' ' ASN . 51.0 m 55.09 -137.89 1.13 Allowed 'General case' 0 N--CA 1.466 0.355 0 O-C-N 123.236 0.335 . . . . 0.0 111.087 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' I' I ' 21' ' ' ASN . . . . . 0.738 ' HB2' ' HA ' ' J' ' 24' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.044 0 CA-C-O 117.987 -1.006 . . . . 0.0 108.962 179.473 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' J' J ' 1' ' ' PHE . . . . . . . . . . . . . 5.7 p90 . . . . . 0 N--CA 1.48 1.036 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' J' J ' 2' ' ' VAL . . . . . 0.478 HG11 HD12 ' J' ' 6' ' ' LEU . 31.7 m -117.38 -155.23 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.059 179.755 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' J' J ' 3' ' ' ASN . . . . . . . . . . . . . 24.4 t30 -144.34 -177.5 5.5 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.854 0.359 . . . . 0.0 111.069 -178.606 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' J' J ' 4' ' ' GLN . . . . . 0.404 ' CD ' ' HB2' ' J' ' 28' ' ' PRO . 24.2 tt0 -43.04 -40.99 3.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 114.809 -1.087 . . . . 0.0 112.354 179.293 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' J' J ' 5' ' ' HIS . . . . . 0.465 ' HB3' HG12 ' E' ' 10' ' ' ILE . 10.1 t60 -48.32 -48.18 36.32 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -179.476 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' J' J ' 6' ' ' LEU . . . . . 0.478 HD12 HG11 ' J' ' 2' ' ' VAL . 46.6 mt -85.94 -24.28 26.61 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.653 -178.862 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' J' J ' 7' ' ' CYS . . . . . . . . . . . . . 41.5 t -68.77 -46.06 69.74 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 177.773 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' J' J ' 8' ' ' GLY . . . . . 0.486 ' HA2' ' HG ' ' J' ' 11' ' ' LEU . . . -67.46 -20.79 72.0 Favored Glycine 0 N--CA 1.449 -0.441 0 CA-C-N 115.332 -0.849 . . . . 0.0 112.593 179.235 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' J' J ' 9' ' ' SER . . . . . 0.469 ' HB3' ' O ' ' J' ' 6' ' ' LEU . 2.0 t -60.51 -19.76 57.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.468 0.652 . . . . 0.0 109.878 178.581 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' J' J ' 10' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -109.52 -20.61 12.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.814 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' J' J ' 11' ' ' LEU . . . . . 0.759 HD11 ' HB2' ' I' ' 7' ' ' CYS . 72.3 mt -66.65 -30.6 70.9 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 178.823 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' J' J ' 12' ' ' VAL . . . . . 0.472 ' O ' ' HB2' ' J' ' 16' ' ' TYR . 22.0 m -67.23 -33.37 62.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.475 178.729 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' J' J ' 13' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -57.35 -54.28 48.64 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.401 0.619 . . . . 0.0 110.092 179.521 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' J' J ' 14' ' ' ALA . . . . . 0.501 ' HB1' HD13 ' I' ' 16' ' ' LEU . . . -55.77 -56.64 18.06 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.994 -1.003 . . . . 0.0 111.762 -179.615 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' J' J ' 15' ' ' LEU . . . . . . . . . . . . . 93.2 mt -54.64 -46.37 73.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.683 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' J' J ' 16' ' ' TYR . . . . . 0.568 ' HE2' ' HE2' ' L' ' 26' ' ' TYR . 0.2 OUTLIER -62.2 -53.96 47.8 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.003 -178.754 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' J' J ' 17' ' ' LEU . . . . . 0.423 HD13 ' NE2' ' L' ' 5' ' ' HIS . 4.4 mm? -61.26 -45.7 93.42 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -178.764 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 99.1 t -66.85 -38.79 82.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 -179.239 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' J' J ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -77.12 -26.3 53.07 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.434 -178.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' J' J ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.83 -132.4 11.09 Favored Glycine 0 C--N 1.329 0.147 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.267 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' J' J ' 21' ' ' GLU . . . . . 0.474 ' OE2' ' HB2' ' L' ' 5' ' ' HIS . 27.1 mm-40 -87.82 46.84 1.42 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.415 0.626 . . . . 0.0 109.92 179.517 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' J' J ' 22' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -122.23 -176.17 3.29 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.93 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' J' J ' 23' ' ' GLY . . . . . 0.828 ' HA2' ' HD2' ' L' ' 28' ' ' PRO . . . -114.27 175.1 15.97 Favored Glycine 0 N--CA 1.443 -0.878 0 C-N-CA 120.363 -0.922 . . . . 0.0 112.445 179.727 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' J' J ' 24' ' ' PHE . . . . . 0.738 ' HA ' ' HB2' ' I' ' 21' ' ' ASN . 5.7 p90 -151.2 141.39 22.25 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.488 0.661 . . . . 0.0 111.207 179.328 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' J' J ' 25' ' ' PHE . . . . . 0.48 ' HA ' ' HA ' ' L' ' 25' ' ' PHE . 12.2 p90 -99.25 100.63 11.75 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 106.839 -1.541 . . . . 0.0 106.839 177.665 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' J' J ' 26' ' ' TYR . . . . . 0.559 ' HE2' ' HE2' ' L' ' 16' ' ' TYR . 11.8 t80 -106.55 102.73 12.09 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.57 -177.341 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' J' J ' 27' ' ' THR . . . . . 0.699 ' HA ' ' HA3' ' L' ' 23' ' ' GLY . 0.4 OUTLIER -113.98 82.1 6.62 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.775 -179.17 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' J' J ' 28' ' ' PRO . . . . . 0.822 ' HD2' ' HA2' ' L' ' 23' ' ' GLY . 54.7 Cg_endo -70.41 81.82 0.94 Allowed 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.433 2.089 . . . . 0.0 110.651 178.69 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' J' J ' 29' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -133.66 148.98 51.55 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.546 -178.371 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' J' J ' 30' ' ' THR . . . . . . . . . . . . . 14.8 m . . . . . 0 C--O 1.25 1.116 0 CA-C-O 117.969 -1.015 . . . . 0.0 109.46 179.182 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.821 0 N-CA-C 111.638 -0.585 . . . . 0.0 111.638 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' K' K ' 2' ' ' ILE . . . . . . . . . . . . . 13.1 tt -67.18 -37.55 79.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 120.633 0.254 . . . . 0.0 110.816 -179.087 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' K' K ' 3' ' ' VAL . . . . . 0.595 ' O ' ' HB3' ' K' ' 7' ' ' CYS . 86.4 t -73.21 -43.88 56.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.897 0.856 . . . . 0.0 109.229 178.682 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' K' K ' 4' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -59.78 -31.3 69.55 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 114.663 -1.153 . . . . 0.0 111.552 179.348 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' K' K ' 5' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -100.09 -46.07 5.44 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 114.444 1.275 . . . . 0.0 114.444 -177.562 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' K' K ' 6' ' ' CYS . . . . . 0.524 ' HB3' ' HB2' ' K' ' 11' ' ' CYS . 45.0 m -108.52 8.03 27.07 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 115.02 1.489 . . . . 0.0 115.02 -175.651 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' K' K ' 7' ' ' CYS . . . . . 0.766 ' HB2' HD11 ' L' ' 11' ' ' LEU . 8.2 t -111.0 -12.96 14.17 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 118.643 0.656 . . . . 0.0 110.216 178.592 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' K' K ' 8' ' ' THR . . . . . . . . . . . . . 10.3 t -75.85 -13.61 60.28 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.386 0.613 . . . . 0.0 109.618 178.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' K' K ' 9' ' ' SER . . . . . . . . . . . . . 20.8 t 178.77 169.9 0.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.062 -1.458 . . . . 0.0 107.062 179.176 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' K' K ' 10' ' ' ILE . . . . . 0.49 HG12 ' HB3' ' H' ' 5' ' ' HIS . 1.6 mp -63.05 121.47 12.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 121.856 0.836 . . . . 0.0 110.532 -179.34 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' K' K ' 11' ' ' CYS . . . . . 0.524 ' HB2' ' HB3' ' K' ' 6' ' ' CYS . 2.9 t -82.1 160.31 23.19 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.488 -1.233 . . . . 0.0 110.654 -178.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' K' K ' 12' ' ' SER . . . . . 0.578 ' HB2' ' HB2' ' K' ' 15' ' ' GLN . 6.1 m -71.29 141.37 50.52 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.27 179.653 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' K' K ' 13' ' ' LEU . . . . . . . . . . . . . 10.3 tt -58.71 -47.03 85.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.766 -179.503 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -69.59 -24.42 63.68 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.584 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' K' K ' 15' ' ' GLN . . . . . 0.578 ' HB2' ' HB2' ' K' ' 12' ' ' SER . 37.5 tt0 -73.53 -37.32 65.65 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 179.1 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' K' K ' 16' ' ' LEU . . . . . 0.503 HD13 ' HB1' ' L' ' 14' ' ' ALA . 71.4 mt -73.44 -25.41 60.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.071 178.669 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' K' K ' 17' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -67.11 -22.51 65.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.632 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' K' K ' 18' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -80.26 -3.53 49.6 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.727 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' K' K ' 19' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -90.2 -96.81 0.11 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.472 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' K' K ' 20' ' ' CYS . . . . . 0.504 ' HB3' ' H ' ' K' ' 21' ' ' ASN . 53.4 m 54.84 -137.87 1.14 Allowed 'General case' 0 N--CA 1.463 0.215 0 O-C-N 123.207 0.317 . . . . 0.0 110.853 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' K' K ' 21' ' ' ASN . . . . . 0.722 ' HB2' ' HA ' ' L' ' 24' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--O 1.247 0.93 0 CA-C-O 118.511 -0.757 . . . . 0.0 109.335 179.323 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' L' L ' 1' ' ' PHE . . . . . . . . . . . . . 5.9 p90 . . . . . 0 N--CA 1.48 1.041 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' L' L ' 2' ' ' VAL . . . . . 0.508 HG11 HD12 ' L' ' 6' ' ' LEU . 32.9 m -117.25 -153.84 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.97 -179.814 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' L' L ' 3' ' ' ASN . . . . . . . . . . . . . 29.6 t30 -145.64 -177.49 5.6 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.872 0.368 . . . . 0.0 111.068 -179.092 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' L' L ' 4' ' ' GLN . . . . . 0.418 ' CD ' ' HB2' ' L' ' 28' ' ' PRO . 22.1 tt0 -42.99 -40.6 3.07 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 114.661 -1.154 . . . . 0.0 112.318 179.304 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' L' L ' 5' ' ' HIS . . . . . 0.478 ' HB3' HG12 ' C' ' 10' ' ' ILE . 10.3 t60 -48.8 -47.87 41.85 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.041 0.386 . . . . 0.0 112.041 -179.497 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' L' L ' 6' ' ' LEU . . . . . 0.508 HD12 HG11 ' L' ' 2' ' ' VAL . 43.8 mt -86.19 -24.31 26.17 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.562 -178.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' L' L ' 7' ' ' CYS . . . . . . . . . . . . . 41.9 t -68.64 -46.21 69.8 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 177.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' L' L ' 8' ' ' GLY . . . . . 0.501 ' HA2' ' HG ' ' L' ' 11' ' ' LEU . . . -67.51 -20.81 72.12 Favored Glycine 0 N--CA 1.448 -0.536 0 CA-C-N 115.379 -0.828 . . . . 0.0 112.596 179.268 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' L' L ' 9' ' ' SER . . . . . 0.454 ' HB3' ' O ' ' L' ' 6' ' ' LEU . 2.1 t -60.59 -19.27 57.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.326 0.584 . . . . 0.0 109.782 178.487 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' L' L ' 10' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -110.04 -20.42 12.72 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.76 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' L' L ' 11' ' ' LEU . . . . . 0.766 HD11 ' HB2' ' K' ' 7' ' ' CYS . 73.1 mt -66.29 -30.93 71.45 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 178.657 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' L' L ' 12' ' ' VAL . . . . . 0.473 ' O ' ' HB2' ' L' ' 16' ' ' TYR . 21.9 m -67.22 -33.37 62.47 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.143 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.324 178.885 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' L' L ' 13' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -57.37 -54.41 47.12 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-O 121.346 0.594 . . . . 0.0 109.957 179.547 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' L' L ' 14' ' ' ALA . . . . . 0.503 ' HB1' HD13 ' K' ' 16' ' ' LEU . . . -55.7 -56.04 25.12 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.861 -179.549 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' L' L ' 15' ' ' LEU . . . . . . . . . . . . . 94.0 mt -55.21 -46.34 75.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.701 -179.607 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' L' L ' 16' ' ' TYR . . . . . 0.559 ' HE2' ' HE2' ' J' ' 26' ' ' TYR . 0.2 OUTLIER -62.23 -53.5 54.34 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.627 -0.715 . . . . 0.0 112.034 -178.791 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.65 -45.79 92.52 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -178.732 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 90.4 t -66.6 -38.34 81.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 -179.308 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' L' L ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -78.17 -24.18 47.33 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.787 -0.365 . . . . 0.0 111.465 -178.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' L' L ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.5 -132.66 11.25 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.327 179.556 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' L' L ' 21' ' ' GLU . . . . . 0.46 ' OE2' ' HB2' ' J' ' 5' ' ' HIS . 27.8 mm-40 -87.72 48.67 1.68 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.489 0.662 . . . . 0.0 109.864 179.594 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' L' L ' 22' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -124.6 -178.18 4.05 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.593 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' L' L ' 23' ' ' GLY . . . . . 0.822 ' HA2' ' HD2' ' J' ' 28' ' ' PRO . . . -112.11 175.11 16.9 Favored Glycine 0 N--CA 1.441 -0.994 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.853 179.591 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' L' L ' 24' ' ' PHE . . . . . 0.722 ' HA ' ' HB2' ' K' ' 21' ' ' ASN . 5.7 p90 -151.34 141.52 22.26 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 121.406 0.622 . . . . 0.0 111.025 179.409 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' L' L ' 25' ' ' PHE . . . . . 0.48 ' HA ' ' HA ' ' J' ' 25' ' ' PHE . 10.7 p90 -99.33 100.75 11.86 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 106.891 -1.522 . . . . 0.0 106.891 177.637 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' L' L ' 26' ' ' TYR . . . . . 0.568 ' HE2' ' HE2' ' J' ' 16' ' ' TYR . 12.1 t80 -106.56 103.04 12.4 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.833 -177.324 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' L' L ' 27' ' ' THR . . . . . 0.668 ' HA ' ' HA3' ' J' ' 23' ' ' GLY . 0.2 OUTLIER -114.2 82.12 6.98 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.632 -178.662 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' L' L ' 28' ' ' PRO . . . . . 0.828 ' HD2' ' HA2' ' J' ' 23' ' ' GLY . 51.7 Cg_endo -70.57 80.62 1.09 Allowed 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.366 2.044 . . . . 0.0 110.773 178.678 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' L' L ' 29' ' ' LYS . . . . . . . . . . . . . 58.6 tttp . . . . . 0 C--N 1.32 -0.684 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.84 -178.431 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.599 0 N-CA-C 111.781 -0.528 . . . . 0.0 111.781 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.0 tt -65.15 -33.04 60.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 111.788 0.292 . . . . 0.0 111.788 -178.825 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.724 HG11 ' HG3' ' B' ' 4' ' ' GLN . 53.8 t -68.05 -56.68 11.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.619 -179.749 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -67.65 -15.82 63.84 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -179.561 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -88.05 -35.37 17.57 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.592 -0.443 . . . . 0.0 111.41 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 70.9 m -103.14 -26.85 12.86 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 -178.029 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.421 ' O ' HG11 ' F' ' 2' ' ' VAL . 8.9 t -97.45 40.9 1.14 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.287 0.565 . . . . 0.0 111.337 -179.377 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.09 -48.44 2.11 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 178.251 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.9 m -149.14 17.71 0.96 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.769 178.8 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.1 mp 70.39 132.87 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.979 179.759 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 44.7 m -82.02 153.84 25.97 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.206 -0.907 . . . . 0.0 111.542 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.9 t -78.68 162.47 26.18 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.643 178.446 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 39.4 tp -54.82 -40.38 69.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.088 0.471 . . . . 0.0 110.895 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 59.6 m-85 -74.46 -15.67 60.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.838 -0.619 . . . . 0.0 112.412 -179.087 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -85.61 -40.64 16.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.856 0.36 . . . . 0.0 110.755 179.21 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 60.2 mt -67.05 -33.6 75.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.447 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 61.0 tt0 -67.14 -15.18 63.56 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.222 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -70.76 -19.26 62.74 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.018 0.437 . . . . 0.0 110.641 179.2 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -101.5 -1.18 33.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.129 0.49 . . . . 0.0 110.308 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 11.1 t -83.6 156.75 22.57 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.805 -179.444 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.2 m120 . . . . . 0 C--O 1.246 0.906 0 CA-C-O 118.689 -0.672 . . . . 0.0 110.135 179.735 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 3.3 p90 . . . . . 0 N--CA 1.481 1.102 0 CA-C-O 121.742 0.782 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 2' ' ' VAL . . . . . 0.443 HG11 ' O ' ' I' ' 7' ' ' CYS . 6.0 p -123.0 90.87 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-O 121.928 0.87 . . . . 0.0 110.687 -179.571 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -169.43 -57.74 0.02 OUTLIER 'General case' 0 C--O 1.216 -0.666 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.282 -179.482 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 4' ' ' GLN . . . . . 0.724 ' HG3' HG11 ' A' ' 3' ' ' VAL . 42.8 tt0 -51.64 -37.97 52.65 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.993 0.425 . . . . 0.0 111.921 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 5' ' ' HIS . . . . . 0.587 ' CE1' ' HA ' ' D' ' 17' ' ' LEU . 27.2 t60 -83.03 -5.96 59.3 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 -177.805 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 13.7 mt -118.52 -40.46 2.91 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.572 0.701 . . . . 0.0 110.382 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 7' ' ' CYS . . . . . 0.508 ' SG ' HD21 ' B' ' 11' ' ' LEU . 18.3 t -69.22 -40.29 78.06 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.888 -1.051 . . . . 0.0 110.63 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 8' ' ' GLY . . . . . 0.534 ' O ' HG22 ' B' ' 12' ' ' VAL . . . -52.36 -34.76 41.99 Favored Glycine 0 C--N 1.338 0.641 0 CA-C-N 116.032 -0.531 . . . . 0.0 112.997 179.655 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 9' ' ' SER . . . . . 0.686 ' HB2' ' HG3' ' D' ' 13' ' ' GLU . 0.0 OUTLIER -58.29 -29.27 65.72 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 122.978 0.511 . . . . 0.0 111.894 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -94.57 -21.88 18.56 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 120.951 -0.3 . . . . 0.0 111.004 -179.544 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.508 HD21 ' SG ' ' B' ' 7' ' ' CYS . 9.0 mt -70.75 -38.83 73.53 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 177.503 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.534 HG22 ' O ' ' B' ' 8' ' ' GLY . 14.1 m -73.83 -34.43 40.19 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.788 179.356 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.679 ' HG3' ' HB2' ' D' ' 9' ' ' SER . 32.6 tt0 -61.44 -36.78 81.34 Favored 'General case' 0 C--N 1.34 0.166 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 179.187 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 14' ' ' ALA . . . . . 0.484 ' O ' HG23 ' B' ' 18' ' ' VAL . . . -76.81 -32.86 57.9 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.703 178.194 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.518 HD12 ' HA ' ' B' ' 12' ' ' VAL . 26.9 mt -58.05 -60.8 3.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 112.224 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 16' ' ' TYR . . . . . 0.922 ' HB3' ' HE2' ' B' ' 24' ' ' PHE . 7.9 p90 -72.26 -9.54 58.61 Favored 'General case' 0 C--N 1.333 -0.121 0 C-N-CA 120.006 -0.678 . . . . 0.0 110.484 -179.473 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.577 ' HA ' ' CE1' ' D' ' 5' ' ' HIS . 9.9 tt -73.51 -39.48 64.78 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.234 -1.025 . . . . 0.0 108.234 178.025 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.484 HG23 ' O ' ' B' ' 14' ' ' ALA . 70.9 t -76.16 -42.97 37.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.699 178.543 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 19' ' ' CYS . . . . . 0.703 ' HB3' ' HB2' ' B' ' 22' ' ' ARG . 71.1 m -67.06 -41.13 86.97 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.722 -179.514 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.57 -95.28 0.61 Allowed Glycine 0 CA--C 1.507 -0.413 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.071 -179.656 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -92.0 -10.76 38.09 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.474 0.654 . . . . 0.0 109.491 179.513 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 22' ' ' ARG . . . . . 0.703 ' HB2' ' HB3' ' B' ' 19' ' ' CYS . 71.8 mtp180 -85.26 160.01 19.95 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.697 179.197 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 23' ' ' GLY . . . . . 0.69 ' HA2' ' HD2' ' D' ' 28' ' ' PRO . . . -108.1 -169.99 21.47 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.677 -0.773 . . . . 0.0 111.32 178.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 24' ' ' PHE . . . . . 0.922 ' HE2' ' HB3' ' B' ' 16' ' ' TYR . 29.1 p90 -161.36 159.5 28.44 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.169 0.509 . . . . 0.0 111.122 179.563 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 15.3 m-30 -104.06 110.6 22.83 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 178.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -110.18 99.74 8.75 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.243 0.544 . . . . 0.0 111.48 -178.698 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 27' ' ' THR . . . . . 0.666 ' HA ' ' HA3' ' D' ' 23' ' ' GLY . 5.1 m -119.18 99.26 50.7 Favored Pre-proline 0 C--N 1.315 -0.912 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 177.777 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 28' ' ' PRO . . . . . 0.687 ' HD2' ' HA2' ' D' ' 23' ' ' GLY . 30.0 Cg_endo -64.55 -114.82 0.0 OUTLIER 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.899 2.399 . . . . 0.0 112.356 -178.158 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.42 ' H ' ' HB2' ' B' ' 28' ' ' PRO . 76.4 tttt 72.83 -39.68 0.45 Allowed 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 122.996 0.518 . . . . 0.0 110.947 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 30' ' ' THR . . . . . 0.408 ' H ' ' C ' ' B' ' 28' ' ' PRO . 45.2 m . . . . . 0 C--O 1.251 1.136 0 CA-C-O 117.994 -1.003 . . . . 0.0 108.834 178.697 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.816 0 N-CA-C 111.444 -0.663 . . . . 0.0 111.444 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 13.4 tt -68.13 -32.41 55.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.817 0.341 . . . . 0.0 111.376 -179.6 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 3' ' ' VAL . . . . . 0.734 HG11 ' HG3' ' D' ' 4' ' ' GLN . 52.9 t -68.21 -57.14 10.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.586 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -68.51 -12.85 61.82 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -179.326 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -90.43 -37.25 14.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 122.048 -0.407 . . . . 0.0 111.07 179.537 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 70.7 m -100.72 -28.38 12.86 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 113.007 0.743 . . . . 0.0 113.007 -178.039 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 7' ' ' CYS . . . . . 0.426 ' O ' HG11 ' L' ' 2' ' ' VAL . 8.4 t -96.27 41.17 1.11 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.368 0.604 . . . . 0.0 111.44 -179.452 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -122.19 -49.84 2.04 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 177.886 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 73.1 m -147.98 17.97 1.11 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.642 178.816 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 2.1 mp 70.45 133.64 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 CA-C-N 115.175 -0.921 . . . . 0.0 111.818 179.613 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 46.4 m -82.87 153.76 24.96 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.45 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 33.1 t -78.36 163.0 26.05 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.507 178.399 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 39.6 tp -56.22 -38.01 70.46 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.174 0.511 . . . . 0.0 110.949 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -76.73 -14.93 59.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.028 -179.244 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -86.3 -40.11 15.82 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.077 0.465 . . . . 0.0 110.487 179.334 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 59.5 mt -67.41 -33.92 76.17 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.535 -179.696 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 64.3 tt0 -67.44 -14.59 63.07 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.147 -179.514 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 27.1 m120 -71.5 -18.79 62.26 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.89 0.376 . . . . 0.0 110.473 179.317 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -101.29 -1.85 32.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.107 0.479 . . . . 0.0 110.351 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 10.7 t -82.58 158.5 23.05 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.147 -179.403 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 5.5 m120 . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.773 -0.632 . . . . 0.0 110.172 179.741 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 3.2 p90 . . . . . 0 N--CA 1.482 1.143 0 CA-C-O 121.767 0.794 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' D' D ' 2' ' ' VAL . . . . . 0.438 HG11 ' O ' ' G' ' 7' ' ' CYS . 5.9 p -122.68 89.98 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.853 0.835 . . . . 0.0 110.78 -179.404 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 3' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -168.38 -57.93 0.02 OUTLIER 'General case' 0 C--O 1.215 -0.715 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.348 -179.508 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 4' ' ' GLN . . . . . 0.734 ' HG3' HG11 ' C' ' 3' ' ' VAL . 46.4 tt0 -51.21 -38.89 54.95 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.919 0.39 . . . . 0.0 111.941 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 5' ' ' HIS . . . . . 0.577 ' CE1' ' HA ' ' B' ' 17' ' ' LEU . 26.7 t60 -81.9 -6.43 59.1 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 -177.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 13.2 mt -118.39 -40.59 2.91 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 121.671 0.748 . . . . 0.0 110.473 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 7' ' ' CYS . . . . . 0.531 ' SG ' HD21 ' D' ' 11' ' ' LEU . 16.2 t -69.18 -39.95 78.39 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 114.802 -1.09 . . . . 0.0 110.693 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 8' ' ' GLY . . . . . 0.504 ' O ' HG22 ' D' ' 12' ' ' VAL . . . -52.78 -34.44 44.6 Favored Glycine 0 C--N 1.334 0.446 0 CA-C-N 115.974 -0.557 . . . . 0.0 112.897 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 9' ' ' SER . . . . . 0.679 ' HB2' ' HG3' ' B' ' 13' ' ' GLU . 0.0 OUTLIER -58.61 -29.16 66.27 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 122.88 0.472 . . . . 0.0 111.887 -179.89 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' D' D ' 10' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -94.64 -21.81 18.56 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.836 -0.346 . . . . 0.0 111.114 -179.496 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 11' ' ' LEU . . . . . 0.531 HD21 ' SG ' ' D' ' 7' ' ' CYS . 9.1 mt -70.71 -39.05 73.64 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 177.559 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 12' ' ' VAL . . . . . 0.522 ' HA ' HD12 ' D' ' 15' ' ' LEU . 15.2 m -73.72 -34.17 40.2 Favored 'Isoleucine or valine' 0 C--O 1.232 0.158 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.802 179.415 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 13' ' ' GLU . . . . . 0.686 ' HG3' ' HB2' ' B' ' 9' ' ' SER . 33.2 tt0 -61.69 -36.49 81.03 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 179.268 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 14' ' ' ALA . . . . . 0.459 ' O ' HG23 ' D' ' 18' ' ' VAL . . . -76.97 -33.18 57.66 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.582 178.219 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 15' ' ' LEU . . . . . 0.522 HD12 ' HA ' ' D' ' 12' ' ' VAL . 25.8 mt -57.75 -60.91 2.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.091 -179.658 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 16' ' ' TYR . . . . . 0.932 ' HB3' ' HE2' ' D' ' 24' ' ' PHE . 8.0 p90 -72.19 -9.55 58.59 Favored 'General case' 0 C--N 1.334 -0.108 0 C-N-CA 120.057 -0.657 . . . . 0.0 110.607 -179.51 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 17' ' ' LEU . . . . . 0.587 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 9.5 tt -73.36 -40.25 64.53 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.223 -1.028 . . . . 0.0 108.223 177.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 18' ' ' VAL . . . . . 0.459 HG23 ' O ' ' D' ' 14' ' ' ALA . 67.2 t -75.55 -42.67 42.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.899 178.592 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 19' ' ' CYS . . . . . 0.721 ' HB3' ' HB2' ' D' ' 22' ' ' ARG . 71.2 m -67.77 -40.3 84.02 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.293 -0.867 . . . . 0.0 111.679 -179.508 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.17 -96.27 0.61 Allowed Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.901 -0.666 . . . . 0.0 111.866 -179.463 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -89.44 -15.49 33.03 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.453 0.644 . . . . 0.0 109.589 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 22' ' ' ARG . . . . . 0.721 ' HB2' ' HB3' ' D' ' 19' ' ' CYS . 69.8 mtp180 -80.75 161.21 24.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.14 179.415 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 23' ' ' GLY . . . . . 0.687 ' HA2' ' HD2' ' B' ' 28' ' ' PRO . . . -109.65 -170.25 20.27 Favored Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 178.829 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 24' ' ' PHE . . . . . 0.932 ' HE2' ' HB3' ' D' ' 16' ' ' TYR . 29.8 p90 -160.91 159.26 29.45 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.208 0.527 . . . . 0.0 111.081 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 25' ' ' PHE . . . . . . . . . . . . . 15.5 m-30 -104.16 109.02 20.66 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.717 -0.845 . . . . 0.0 108.717 178.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 26' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -108.73 98.76 8.21 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.143 0.497 . . . . 0.0 111.872 -178.532 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 27' ' ' THR . . . . . 0.666 ' HA ' ' HA3' ' B' ' 23' ' ' GLY . 5.7 m -118.26 99.9 51.7 Favored Pre-proline 0 C--N 1.312 -1.05 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 177.678 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 28' ' ' PRO . . . . . 0.69 ' HD2' ' HA2' ' B' ' 23' ' ' GLY . 30.1 Cg_endo -65.21 -113.78 0.0 OUTLIER 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 123.003 2.468 . . . . 0.0 112.292 -178.028 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 29' ' ' LYS . . . . . 0.445 ' H ' ' HB2' ' D' ' 28' ' ' PRO . 77.9 tttt 72.17 -39.49 0.45 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.093 0.557 . . . . 0.0 110.911 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 30' ' ' THR . . . . . 0.426 ' H ' ' C ' ' D' ' 28' ' ' PRO . 60.0 m . . . . . 0 C--O 1.25 1.117 0 CA-C-O 117.921 -1.038 . . . . 0.0 108.82 178.81 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.198 0 N-CA-C 111.821 -0.511 . . . . 0.0 111.821 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' E' E ' 2' ' ' ILE . . . . . . . . . . . . . 13.9 tt -67.0 -32.57 58.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 -179.353 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 3' ' ' VAL . . . . . 0.748 HG11 ' HG3' ' F' ' 4' ' ' GLN . 55.5 t -68.0 -57.22 10.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.583 -179.655 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' E' E ' 4' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -68.59 -12.63 61.56 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -179.1 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -90.86 -37.18 13.75 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.843 0.354 . . . . 0.0 110.668 179.692 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 6' ' ' CYS . . . . . . . . . . . . . 71.3 m -101.35 -27.09 13.36 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.18 0.807 . . . . 0.0 113.18 -177.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 7' ' ' CYS . . . . . 0.451 ' O ' HG11 ' J' ' 2' ' ' VAL . 8.3 t -96.84 40.07 1.15 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.291 0.567 . . . . 0.0 111.214 -179.481 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.93 -50.14 2.18 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 178.012 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' E' E ' 9' ' ' SER . . . . . . . . . . . . . 73.7 m -147.68 18.75 1.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.639 178.627 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 10' ' ' ILE . . . . . . . . . . . . . 2.1 mp 70.37 134.83 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 CA-C-N 115.223 -0.899 . . . . 0.0 111.792 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 11' ' ' CYS . . . . . . . . . . . . . 38.2 m -83.95 155.35 22.87 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.355 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 12' ' ' SER . . . . . . . . . . . . . 30.6 t -79.87 162.4 25.05 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.621 178.56 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 40.2 tp -55.91 -37.39 68.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.194 0.521 . . . . 0.0 111.042 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -77.92 -14.04 59.68 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.76 -0.655 . . . . 0.0 112.216 -179.142 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -87.01 -40.65 14.54 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.075 0.464 . . . . 0.0 110.224 179.337 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 16' ' ' LEU . . . . . . . . . . . . . 59.8 mt -66.38 -33.83 76.59 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.625 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 17' ' ' GLU . . . . . . . . . . . . . 62.1 tt0 -67.05 -16.41 64.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.82 0.343 . . . . 0.0 111.09 -179.607 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 18' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -68.94 -20.83 64.22 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.789 0.328 . . . . 0.0 110.491 179.02 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 19' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -99.93 -1.43 37.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.073 0.463 . . . . 0.0 110.739 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 20' ' ' CYS . . . . . . . . . . . . . 11.2 t -83.82 157.19 22.13 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.062 -179.335 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 21' ' ' ASN . . . . . . . . . . . . . 5.3 m120 . . . . . 0 C--O 1.246 0.87 0 CA-C-O 118.8 -0.619 . . . . 0.0 109.932 179.627 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' F' F ' 1' ' ' PHE . . . . . . . . . . . . . 3.9 p90 . . . . . 0 N--CA 1.48 1.065 0 CA-C-O 121.751 0.786 . . . . 0.0 110.816 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' F' F ' 2' ' ' VAL . . . . . 0.421 HG11 ' O ' ' A' ' 7' ' ' CYS . 5.5 p -125.96 87.61 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 121.81 0.814 . . . . 0.0 110.744 -179.472 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' F' F ' 3' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -166.46 -57.39 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.203 -179.487 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 4' ' ' GLN . . . . . 0.748 ' HG3' HG11 ' E' ' 3' ' ' VAL . 43.8 tt0 -51.47 -37.67 50.07 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' F' F ' 5' ' ' HIS . . . . . 0.577 ' CE1' ' HA ' ' H' ' 17' ' ' LEU . 26.9 t60 -82.86 -6.67 59.55 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 113.239 0.829 . . . . 0.0 113.239 -177.851 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' F' F ' 6' ' ' LEU . . . . . . . . . . . . . 13.9 mt -117.97 -41.22 2.91 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 121.703 0.763 . . . . 0.0 110.426 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 7' ' ' CYS . . . . . 0.534 ' SG ' HD21 ' F' ' 11' ' ' LEU . 15.9 t -68.51 -40.6 80.78 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.773 -1.103 . . . . 0.0 110.508 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' F' F ' 8' ' ' GLY . . . . . 0.507 ' O ' HG22 ' F' ' 12' ' ' VAL . . . -52.13 -34.86 40.42 Favored Glycine 0 C--N 1.337 0.635 0 CA-C-N 116.023 -0.535 . . . . 0.0 113.099 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' F' F ' 9' ' ' SER . . . . . 0.671 ' HB2' ' HG3' ' H' ' 13' ' ' GLU . 0.0 OUTLIER -58.33 -28.93 65.53 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 122.838 0.455 . . . . 0.0 111.996 -179.755 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' F' F ' 10' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -94.74 -21.85 18.48 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.953 -179.423 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 11' ' ' LEU . . . . . 0.534 HD21 ' SG ' ' F' ' 7' ' ' CYS . 9.0 mt -70.78 -39.13 73.35 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 177.534 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' F' F ' 12' ' ' VAL . . . . . 0.534 ' HA ' HD12 ' F' ' 15' ' ' LEU . 14.4 m -73.68 -34.34 40.98 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.786 179.388 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' F' F ' 13' ' ' GLU . . . . . 0.657 ' HG3' ' HB2' ' H' ' 9' ' ' SER . 32.6 tt0 -61.35 -36.88 81.42 Favored 'General case' 0 N--CA 1.462 0.159 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 179.252 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' F' F ' 14' ' ' ALA . . . . . 0.478 ' O ' HG23 ' F' ' 18' ' ' VAL . . . -76.92 -32.76 57.6 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.488 178.307 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' F' F ' 15' ' ' LEU . . . . . 0.534 HD12 ' HA ' ' F' ' 12' ' ' VAL . 26.3 mt -58.06 -60.7 3.33 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' F' F ' 16' ' ' TYR . . . . . 0.935 ' HB3' ' HE2' ' F' ' 24' ' ' PHE . 8.0 p90 -72.46 -9.34 58.41 Favored 'General case' 0 N--CA 1.463 0.198 0 C-N-CA 119.94 -0.704 . . . . 0.0 110.389 -179.48 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' F' F ' 17' ' ' LEU . . . . . 0.589 ' HA ' ' CE1' ' H' ' 5' ' ' HIS . 9.4 tt -73.58 -40.85 63.59 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 177.848 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' F' F ' 18' ' ' VAL . . . . . 0.478 HG23 ' O ' ' F' ' 14' ' ' ALA . 76.7 t -74.51 -42.94 49.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.869 178.575 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' F' F ' 19' ' ' CYS . . . . . 0.717 ' HB3' ' HB2' ' F' ' 22' ' ' ARG . 71.3 m -67.57 -41.55 83.98 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.199 -0.91 . . . . 0.0 111.71 -179.522 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' F' F ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.24 -97.18 0.75 Allowed Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.847 -0.692 . . . . 0.0 111.817 -179.286 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 21' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -89.04 -14.44 36.41 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.46 0.648 . . . . 0.0 109.56 179.502 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 22' ' ' ARG . . . . . 0.717 ' HB2' ' HB3' ' F' ' 19' ' ' CYS . 71.5 mtp180 -81.4 160.53 24.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.122 179.272 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' F' F ' 23' ' ' GLY . . . . . 0.706 ' HA2' ' HD2' ' H' ' 28' ' ' PRO . . . -109.23 -170.47 20.61 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.588 -0.815 . . . . 0.0 111.53 179.064 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' F' F ' 24' ' ' PHE . . . . . 0.935 ' HE2' ' HB3' ' F' ' 16' ' ' TYR . 29.7 p90 -160.87 159.41 29.74 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 117.307 0.554 . . . . 0.0 111.247 179.628 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' F' F ' 25' ' ' PHE . . . . . . . . . . . . . 15.5 m-30 -104.49 107.73 18.81 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 179.062 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 26' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -107.55 99.67 9.15 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.265 0.555 . . . . 0.0 111.971 -178.705 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 27' ' ' THR . . . . . 0.657 ' HA ' ' HA3' ' H' ' 23' ' ' GLY . 4.5 m -118.73 99.3 51.3 Favored Pre-proline 0 C--N 1.315 -0.899 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 177.698 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' F' F ' 28' ' ' PRO . . . . . 0.697 ' HD2' ' HA2' ' H' ' 23' ' ' GLY . 32.1 Cg_endo -64.59 -113.79 0.0 OUTLIER 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.833 2.355 . . . . 0.0 112.638 -178.35 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' F' F ' 29' ' ' LYS . . . . . 0.479 ' H ' ' HB2' ' F' ' 28' ' ' PRO . 76.8 tttt 72.25 -41.04 0.49 Allowed 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 123.175 0.59 . . . . 0.0 110.861 -179.722 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' F' F ' 30' ' ' THR . . . . . 0.42 ' H ' ' C ' ' F' ' 28' ' ' PRO . 41.0 m . . . . . 0 C--O 1.253 1.273 0 CA-C-O 117.846 -1.073 . . . . 0.0 108.456 178.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' G' G ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.106 0 N-CA-C 111.589 -0.604 . . . . 0.0 111.589 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' G' G ' 2' ' ' ILE . . . . . . . . . . . . . 13.5 tt -66.48 -32.26 57.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 -179.197 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' G' G ' 3' ' ' VAL . . . . . 0.748 HG11 ' HG3' ' H' ' 4' ' ' GLN . 56.6 t -68.63 -56.25 13.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 C-N-CA 121.166 -0.214 . . . . 0.0 111.522 -179.698 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' G' G ' 4' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -69.06 -13.27 62.35 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -179.402 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' G' G ' 5' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -90.1 -37.9 13.92 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.901 179.506 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' G' G ' 6' ' ' CYS . . . . . . . . . . . . . 71.3 m -100.31 -27.47 13.46 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 -177.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' G' G ' 7' ' ' CYS . . . . . 0.438 ' O ' HG11 ' D' ' 2' ' ' VAL . 8.6 t -96.71 40.59 1.13 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.337 0.589 . . . . 0.0 111.186 -179.348 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' G' G ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.72 -50.04 2.09 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 178.161 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' G' G ' 9' ' ' SER . . . . . . . . . . . . . 57.9 m -146.95 16.67 1.22 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.754 178.354 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' G' G ' 10' ' ' ILE . . . . . . . . . . . . . 2.1 mp 71.67 131.83 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.25 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.795 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' G' G ' 11' ' ' CYS . . . . . . . . . . . . . 48.2 m -80.5 153.97 27.83 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.64 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' G' G ' 12' ' ' SER . . . . . . . . . . . . . 40.7 t -78.72 162.86 25.87 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.485 178.422 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' G' G ' 13' ' ' LEU . . . . . . . . . . . . . 40.1 tp -56.16 -38.82 71.41 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.093 0.473 . . . . 0.0 110.865 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -75.92 -14.38 60.25 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.166 -179.185 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -86.87 -40.49 14.84 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.997 0.427 . . . . 0.0 110.49 179.343 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' G' G ' 16' ' ' LEU . . . . . . . . . . . . . 56.1 mt -66.94 -33.69 76.14 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.504 -179.623 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' G' G ' 17' ' ' GLU . . . . . . . . . . . . . 65.2 tt0 -67.05 -16.21 64.2 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.198 -179.599 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' G' G ' 18' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -69.4 -20.48 63.81 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.772 0.32 . . . . 0.0 110.626 179.212 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' G' G ' 19' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -100.12 -1.54 36.47 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.486 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' G' G ' 20' ' ' CYS . . . . . . . . . . . . . 11.3 t -83.92 156.64 22.26 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.017 -179.345 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' G' G ' 21' ' ' ASN . . . . . . . . . . . . . 6.1 m120 . . . . . 0 C--O 1.246 0.911 0 CA-C-O 118.702 -0.666 . . . . 0.0 110.112 179.76 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' H' H ' 1' ' ' PHE . . . . . . . . . . . . . 3.5 p90 . . . . . 0 N--CA 1.48 1.049 0 CA-C-O 121.786 0.803 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' H' H ' 2' ' ' VAL . . . . . 0.453 HG11 ' O ' ' K' ' 7' ' ' CYS . 5.7 p -123.18 90.19 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.723 0.773 . . . . 0.0 110.607 -179.632 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' H' H ' 3' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -168.76 -58.11 0.02 OUTLIER 'General case' 0 C--O 1.217 -0.622 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.145 -179.45 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' H' H ' 4' ' ' GLN . . . . . 0.748 ' HG3' HG11 ' G' ' 3' ' ' VAL . 43.8 tt0 -51.22 -37.71 48.44 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' H' H ' 5' ' ' HIS . . . . . 0.589 ' CE1' ' HA ' ' F' ' 17' ' ' LEU . 27.5 t60 -83.11 -6.3 59.43 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 -177.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' H' H ' 6' ' ' LEU . . . . . . . . . . . . . 13.2 mt -118.33 -40.85 2.89 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 121.591 0.71 . . . . 0.0 110.389 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' H' H ' 7' ' ' CYS . . . . . 0.503 ' SG ' HD21 ' H' ' 11' ' ' LEU . 16.3 t -68.92 -40.27 79.18 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 114.81 -1.086 . . . . 0.0 110.621 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' H' H ' 8' ' ' GLY . . . . . 0.532 ' O ' HG22 ' H' ' 12' ' ' VAL . . . -52.65 -34.0 42.77 Favored Glycine 0 C--N 1.337 0.591 0 CA-C-N 116.012 -0.54 . . . . 0.0 113.094 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' H' H ' 9' ' ' SER . . . . . 0.657 ' HB2' ' HG3' ' F' ' 13' ' ' GLU . 0.0 OUTLIER -58.66 -28.99 66.24 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 122.884 0.474 . . . . 0.0 111.837 -179.912 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' H' H ' 10' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -95.01 -21.81 18.35 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.885 -179.476 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' H' H ' 11' ' ' LEU . . . . . 0.503 HD21 ' SG ' ' H' ' 7' ' ' CYS . 9.0 mt -70.63 -39.07 73.93 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 107.537 -1.283 . . . . 0.0 107.537 177.433 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' H' H ' 12' ' ' VAL . . . . . 0.532 HG22 ' O ' ' H' ' 8' ' ' GLY . 14.9 m -73.72 -34.0 39.74 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.921 179.399 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' H' H ' 13' ' ' GLU . . . . . 0.671 ' HG3' ' HB2' ' F' ' 9' ' ' SER . 33.4 tt0 -61.86 -36.65 81.87 Favored 'General case' 0 C--N 1.34 0.196 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 179.248 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' H' H ' 14' ' ' ALA . . . . . 0.476 ' O ' HG23 ' H' ' 18' ' ' VAL . . . -76.89 -32.74 57.65 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.602 178.105 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' H' H ' 15' ' ' LEU . . . . . 0.519 HD12 ' HA ' ' H' ' 12' ' ' VAL . 25.0 mt -58.19 -60.56 3.57 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -179.671 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' H' H ' 16' ' ' TYR . . . . . 0.944 ' HB3' ' HE2' ' H' ' 24' ' ' PHE . 8.2 p90 -72.52 -9.5 58.63 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.03 -0.668 . . . . 0.0 110.511 -179.488 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' H' H ' 17' ' ' LEU . . . . . 0.577 ' HA ' ' CE1' ' F' ' 5' ' ' HIS . 9.7 tt -73.42 -39.82 64.74 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 177.837 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' H' H ' 18' ' ' VAL . . . . . 0.476 HG23 ' O ' ' H' ' 14' ' ' ALA . 66.9 t -76.08 -43.25 38.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.364 -0.834 . . . . 0.0 109.665 178.455 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' H' H ' 19' ' ' CYS . . . . . 0.696 ' HB3' ' HB2' ' H' ' 22' ' ' ARG . 71.0 m -66.19 -42.25 89.09 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.441 -0.799 . . . . 0.0 111.475 -179.684 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' H' H ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.93 -96.12 0.76 Allowed Glycine 0 CA--C 1.505 -0.572 0 C-N-CA 120.769 -0.729 . . . . 0.0 111.924 -179.533 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' H' H ' 21' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -90.31 -14.52 33.03 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-O 121.414 0.626 . . . . 0.0 109.505 179.435 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' H' H ' 22' ' ' ARG . . . . . 0.696 ' HB2' ' HB3' ' H' ' 19' ' ' CYS . 70.0 mtp180 -81.62 161.42 23.48 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.228 -0.897 . . . . 0.0 110.003 179.504 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' H' H ' 23' ' ' GLY . . . . . 0.697 ' HA2' ' HD2' ' F' ' 28' ' ' PRO . . . -109.75 -170.3 20.2 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.665 -0.779 . . . . 0.0 111.298 178.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' H' H ' 24' ' ' PHE . . . . . 0.944 ' HE2' ' HB3' ' H' ' 16' ' ' TYR . 29.6 p90 -161.02 158.88 28.63 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 117.367 0.583 . . . . 0.0 111.39 179.738 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' H' H ' 25' ' ' PHE . . . . . . . . . . . . . 15.5 m-30 -103.68 109.62 21.39 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 178.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' H' H ' 26' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -109.38 98.72 8.08 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.051 0.453 . . . . 0.0 111.814 -178.584 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' H' H ' 27' ' ' THR . . . . . 0.675 ' HA ' ' HA3' ' F' ' 23' ' ' GLY . 6.2 m -118.04 99.46 51.94 Favored Pre-proline 0 C--N 1.315 -0.928 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 177.813 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' H' H ' 28' ' ' PRO . . . . . 0.706 ' HD2' ' HA2' ' F' ' 23' ' ' GLY . 29.4 Cg_endo -64.06 -113.62 0.0 OUTLIER 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 123.065 2.51 . . . . 0.0 112.726 -178.241 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' H' H ' 29' ' ' LYS . . . . . 0.432 ' H ' ' HB2' ' H' ' 28' ' ' PRO . 75.4 tttt 71.98 -42.71 0.54 Allowed 'General case' 0 N--CA 1.467 0.375 0 C-N-CA 123.019 0.528 . . . . 0.0 110.761 -179.683 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' H' H ' 30' ' ' THR . . . . . . . . . . . . . 59.8 m . . . . . 0 C--O 1.251 1.179 0 CA-C-O 117.915 -1.04 . . . . 0.0 108.787 178.864 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' I' I ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.571 0 N-CA-C 111.447 -0.661 . . . . 0.0 111.447 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' I' I ' 2' ' ' ILE . . . . . . . . . . . . . 13.4 tt -67.35 -32.49 57.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 116.795 0.297 . . . . 0.0 111.8 -178.789 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' I' I ' 3' ' ' VAL . . . . . 0.718 HG11 ' HG3' ' J' ' 4' ' ' GLN . 54.8 t -68.05 -57.49 9.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.64 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' I' I ' 4' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -68.42 -13.72 62.49 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -179.313 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' I' I ' 5' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -89.14 -38.03 14.62 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.944 179.448 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' I' I ' 6' ' ' CYS . . . . . . . . . . . . . 71.6 m -100.82 -26.65 13.69 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.404 0.89 . . . . 0.0 113.404 -177.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' I' I ' 7' ' ' CYS . . . . . 0.443 ' O ' HG11 ' B' ' 2' ' ' VAL . 8.5 t -97.17 40.26 1.15 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.465 0.65 . . . . 0.0 111.261 -179.446 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' I' I ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.45 -48.68 2.18 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.327 178.312 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' I' I ' 9' ' ' SER . . . . . . . . . . . . . 74.8 m -148.34 15.86 1.02 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.627 178.836 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' I' I ' 10' ' ' ILE . . . . . . . . . . . . . 2.1 mp 72.12 132.51 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.828 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' I' I ' 11' ' ' CYS . . . . . . . . . . . . . 38.9 m -81.14 155.15 26.37 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.558 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' I' I ' 12' ' ' SER . . . . . . . . . . . . . 43.7 t -79.6 163.29 24.73 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.49 178.458 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' I' I ' 13' ' ' LEU . . . . . . . . . . . . . 38.3 tp -56.43 -38.46 71.62 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.137 0.494 . . . . 0.0 110.96 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -75.64 -17.39 60.01 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.838 -0.619 . . . . 0.0 112.058 -179.358 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -83.54 -41.08 18.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.89 0.376 . . . . 0.0 110.684 179.198 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' I' I ' 16' ' ' LEU . . . . . . . . . . . . . 55.6 mt -66.34 -34.07 77.14 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.601 -179.485 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' I' I ' 17' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -66.81 -15.72 63.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.185 -179.659 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' I' I ' 18' ' ' ASN . . . . . . . . . . . . . 26.2 m120 -70.16 -18.97 63.22 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.838 0.352 . . . . 0.0 110.698 179.278 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' I' I ' 19' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -101.36 -2.59 30.59 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.239 0.543 . . . . 0.0 110.178 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' I' I ' 20' ' ' CYS . . . . . . . . . . . . . 11.3 t -82.77 155.18 24.38 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.112 -179.233 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' I' I ' 21' ' ' ASN . . . . . . . . . . . . . 5.0 m120 . . . . . 0 C--O 1.246 0.879 0 CA-C-O 118.427 -0.797 . . . . 0.0 110.59 179.798 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' J' J ' 1' ' ' PHE . . . . . . . . . . . . . 3.8 p90 . . . . . 0 N--CA 1.483 1.181 0 CA-C-O 121.681 0.753 . . . . 0.0 111.256 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' J' J ' 2' ' ' VAL . . . . . 0.451 HG11 ' O ' ' E' ' 7' ' ' CYS . 5.6 p -124.94 88.38 1.27 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 CA-C-O 121.945 0.879 . . . . 0.0 111.069 -179.758 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' J' J ' 3' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -167.09 -57.44 0.03 OUTLIER 'General case' 0 C--O 1.215 -0.728 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.267 -179.411 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' J' J ' 4' ' ' GLN . . . . . 0.718 ' HG3' HG11 ' I' ' 3' ' ' VAL . 43.7 tt0 -51.89 -36.61 49.33 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.942 0.401 . . . . 0.0 112.009 -179.633 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' J' J ' 5' ' ' HIS . . . . . 0.577 ' CE1' ' HA ' ' L' ' 17' ' ' LEU . 27.4 t60 -84.13 -5.65 59.28 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 -178.034 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' J' J ' 6' ' ' LEU . . . . . . . . . . . . . 13.5 mt -118.56 -42.05 2.78 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.703 0.763 . . . . 0.0 110.356 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' J' J ' 7' ' ' CYS . . . . . 0.52 ' SG ' HD21 ' J' ' 11' ' ' LEU . 15.6 t -67.95 -40.24 83.27 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.753 -1.112 . . . . 0.0 110.689 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' J' J ' 8' ' ' GLY . . . . . 0.522 ' O ' HG22 ' J' ' 12' ' ' VAL . . . -52.53 -34.71 43.27 Favored Glycine 0 C--N 1.336 0.545 0 CA-C-N 115.946 -0.57 . . . . 0.0 113.001 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' J' J ' 9' ' ' SER . . . . . 0.656 ' HB2' ' HG3' ' L' ' 13' ' ' GLU . 0.0 OUTLIER -58.3 -29.37 65.81 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 122.895 0.478 . . . . 0.0 111.852 179.922 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' J' J ' 10' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -94.41 -21.96 18.6 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.666 -0.414 . . . . 0.0 111.013 -179.377 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' J' J ' 11' ' ' LEU . . . . . 0.52 HD21 ' SG ' ' J' ' 7' ' ' CYS . 9.2 mt -70.47 -39.26 74.34 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 177.509 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' J' J ' 12' ' ' VAL . . . . . 0.527 ' HA ' HD12 ' J' ' 15' ' ' LEU . 14.4 m -73.75 -33.73 38.75 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.12 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.775 179.468 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' J' J ' 13' ' ' GLU . . . . . 0.66 ' HG3' ' HB2' ' L' ' 9' ' ' SER . 33.0 tt0 -61.99 -36.97 83.1 Favored 'General case' 0 C--N 1.34 0.166 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 179.119 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' J' J ' 14' ' ' ALA . . . . . 0.477 ' O ' HG23 ' J' ' 18' ' ' VAL . . . -76.56 -32.8 58.41 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.705 178.24 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' J' J ' 15' ' ' LEU . . . . . 0.527 HD12 ' HA ' ' J' ' 12' ' ' VAL . 25.9 mt -58.21 -60.59 3.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.973 -179.717 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' J' J ' 16' ' ' TYR . . . . . 0.929 ' HB3' ' HE2' ' J' ' 24' ' ' PHE . 7.8 p90 -72.48 -9.08 58.11 Favored 'General case' 0 N--CA 1.462 0.149 0 C-N-CA 119.903 -0.719 . . . . 0.0 110.539 -179.522 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' J' J ' 17' ' ' LEU . . . . . 0.551 ' HA ' ' CE1' ' L' ' 5' ' ' HIS . 9.7 tt -73.73 -39.91 63.94 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 177.83 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' J' J ' 18' ' ' VAL . . . . . 0.477 HG23 ' O ' ' J' ' 14' ' ' ALA . 67.6 t -75.71 -43.67 40.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.177 -0.92 . . . . 0.0 109.799 178.485 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' J' J ' 19' ' ' CYS . . . . . 0.691 ' HB3' ' HB2' ' J' ' 22' ' ' ARG . 71.9 m -66.57 -40.5 89.0 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.911 -179.6 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' J' J ' 20' ' ' GLY . . . . . . . . . . . . . . . 70.96 -97.12 0.63 Allowed Glycine 0 CA--C 1.508 -0.401 0 C-N-CA 120.862 -0.685 . . . . 0.0 111.83 -179.479 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' J' J ' 21' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -89.1 -13.93 37.42 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 121.438 0.637 . . . . 0.0 109.629 179.521 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' J' J ' 22' ' ' ARG . . . . . 0.691 ' HB2' ' HB3' ' J' ' 19' ' ' CYS . 71.4 mtp180 -82.19 160.73 22.97 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.97 179.4 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' J' J ' 23' ' ' GLY . . . . . 0.701 ' HA2' ' HD2' ' L' ' 28' ' ' PRO . . . -109.01 -170.84 20.81 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.739 -0.743 . . . . 0.0 111.257 179.027 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' J' J ' 24' ' ' PHE . . . . . 0.929 ' HE2' ' HB3' ' J' ' 16' ' ' TYR . 29.3 p90 -160.65 159.54 30.49 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 117.287 0.543 . . . . 0.0 111.118 179.681 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' J' J ' 25' ' ' PHE . . . . . . . . . . . . . 15.3 m-30 -104.09 110.74 23.03 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 178.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' J' J ' 26' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -110.28 98.85 8.0 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.11 0.481 . . . . 0.0 111.721 -178.666 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' J' J ' 27' ' ' THR . . . . . 0.659 ' HA ' ' HA3' ' L' ' 23' ' ' GLY . 5.6 m -118.31 99.44 51.68 Favored Pre-proline 0 C--N 1.315 -0.918 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 177.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' J' J ' 28' ' ' PRO . . . . . 0.712 ' HD2' ' HA2' ' L' ' 23' ' ' GLY . 30.0 Cg_endo -64.52 -114.14 0.0 OUTLIER 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.938 2.425 . . . . 0.0 112.549 -178.403 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' J' J ' 29' ' ' LYS . . . . . 0.46 ' H ' ' HB2' ' J' ' 28' ' ' PRO . 76.2 tttt 72.14 -42.17 0.53 Allowed 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 122.989 0.516 . . . . 0.0 110.845 -179.549 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' J' J ' 30' ' ' THR . . . . . 0.406 ' H ' ' C ' ' J' ' 28' ' ' PRO . 29.7 m . . . . . 0 C--O 1.251 1.182 0 CA-C-O 117.95 -1.024 . . . . 0.0 108.792 178.761 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.573 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' K' K ' 2' ' ' ILE . . . . . . . . . . . . . 14.2 tt -66.74 -32.4 57.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 111.714 0.264 . . . . 0.0 111.714 -179.492 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' K' K ' 3' ' ' VAL . . . . . 0.746 HG11 ' HG3' ' L' ' 4' ' ' GLN . 52.5 t -68.38 -56.65 11.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 C-N-CA 120.999 -0.28 . . . . 0.0 111.634 -179.778 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' K' K ' 4' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -68.99 -12.45 61.69 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -179.323 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' K' K ' 5' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -90.32 -38.66 13.22 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.929 0.395 . . . . 0.0 110.797 179.555 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' K' K ' 6' ' ' CYS . . . . . . . . . . . . . 71.2 m -99.57 -28.46 13.2 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 113.38 0.882 . . . . 0.0 113.38 -178.111 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' K' K ' 7' ' ' CYS . . . . . 0.453 ' O ' HG11 ' H' ' 2' ' ' VAL . 8.4 t -95.95 40.24 1.12 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.382 0.61 . . . . 0.0 111.395 -179.261 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' K' K ' 8' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -121.54 -49.65 2.13 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 178.083 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' K' K ' 9' ' ' SER . . . . . . . . . . . . . 75.1 m -147.61 17.33 1.15 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.734 178.586 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' K' K ' 10' ' ' ILE . . . . . . . . . . . . . 2.0 mp 71.08 132.89 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 CA-C-N 115.07 -0.968 . . . . 0.0 111.776 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' K' K ' 11' ' ' CYS . . . . . . . . . . . . . 41.2 m -81.73 154.37 26.06 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.551 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' K' K ' 12' ' ' SER . . . . . . . . . . . . . 34.8 t -79.48 161.98 25.72 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.56 178.505 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' K' K ' 13' ' ' LEU . . . . . . . . . . . . . 42.1 tp -55.41 -37.64 67.88 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.099 0.476 . . . . 0.0 111.135 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -76.74 -16.8 59.39 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.856 -179.148 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -84.25 -41.21 17.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.993 0.425 . . . . 0.0 110.502 179.397 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' K' K ' 16' ' ' LEU . . . . . . . . . . . . . 59.4 mt -66.16 -34.16 77.42 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.722 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' K' K ' 17' ' ' GLU . . . . . . . . . . . . . 63.0 tt0 -67.39 -15.78 63.87 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.949 -0.3 . . . . 0.0 111.158 -179.305 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' K' K ' 18' ' ' ASN . . . . . . . . . . . . . 26.6 m120 -69.66 -20.09 63.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.812 0.339 . . . . 0.0 110.735 179.016 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' K' K ' 19' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -100.38 -1.13 36.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.033 0.444 . . . . 0.0 110.358 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' K' K ' 20' ' ' CYS . . . . . . . . . . . . . 11.5 t -84.03 156.86 22.03 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.041 -179.284 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' K' K ' 21' ' ' ASN . . . . . . . . . . . . . 5.3 m120 . . . . . 0 C--O 1.248 0.975 0 CA-C-O 118.726 -0.654 . . . . 0.0 109.871 179.461 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' L' L ' 1' ' ' PHE . . . . . . . . . . . . . 3.2 p90 . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 121.885 0.85 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' L' L ' 2' ' ' VAL . . . . . 0.426 HG11 ' O ' ' C' ' 7' ' ' CYS . 6.0 p -121.74 91.05 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.882 0.848 . . . . 0.0 110.806 -179.625 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' L' L ' 3' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -169.35 -58.07 0.02 OUTLIER 'General case' 0 C--O 1.216 -0.681 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.215 -179.611 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' L' L ' 4' ' ' GLN . . . . . 0.746 ' HG3' HG11 ' K' ' 3' ' ' VAL . 45.3 tt0 -51.48 -37.15 47.52 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.97 0.414 . . . . 0.0 112.083 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' L' L ' 5' ' ' HIS . . . . . 0.551 ' CE1' ' HA ' ' J' ' 17' ' ' LEU . 26.4 t60 -83.66 -5.89 59.3 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 113.214 0.82 . . . . 0.0 113.214 -177.86 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' L' L ' 6' ' ' LEU . . . . . . . . . . . . . 14.1 mt -119.04 -40.33 2.85 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-O 121.707 0.765 . . . . 0.0 110.33 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' L' L ' 7' ' ' CYS . . . . . 0.532 ' SG ' HD21 ' L' ' 11' ' ' LEU . 17.1 t -69.37 -40.26 77.54 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.805 -1.089 . . . . 0.0 110.61 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' L' L ' 8' ' ' GLY . . . . . 0.516 ' O ' HG22 ' L' ' 12' ' ' VAL . . . -52.68 -34.27 43.48 Favored Glycine 0 C--N 1.334 0.469 0 CA-C-N 115.923 -0.58 . . . . 0.0 113.049 179.775 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' L' L ' 9' ' ' SER . . . . . 0.66 ' HB2' ' HG3' ' J' ' 13' ' ' GLU . 0.0 OUTLIER -58.64 -29.26 66.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.072 0.463 . . . . 0.0 111.879 -179.936 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' L' L ' 10' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -94.22 -22.6 18.31 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.085 -179.553 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' L' L ' 11' ' ' LEU . . . . . 0.532 HD21 ' SG ' ' L' ' 7' ' ' CYS . 8.9 mt -70.06 -39.15 75.85 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 107.602 -1.258 . . . . 0.0 107.602 177.598 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' L' L ' 12' ' ' VAL . . . . . 0.516 HG22 ' O ' ' L' ' 8' ' ' GLY . 15.1 m -73.48 -34.31 42.24 Favored 'Isoleucine or valine' 0 C--O 1.232 0.184 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.963 179.402 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' L' L ' 13' ' ' GLU . . . . . 0.656 ' HG3' ' HB2' ' J' ' 9' ' ' SER . 33.0 tt0 -61.54 -36.74 81.46 Favored 'General case' 0 C--N 1.34 0.166 0 N-CA-C 108.582 -0.895 . . . . 0.0 108.582 179.278 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' L' L ' 14' ' ' ALA . . . . . 0.467 ' O ' HG23 ' L' ' 18' ' ' VAL . . . -76.87 -33.39 57.86 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.502 178.241 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' L' L ' 15' ' ' LEU . . . . . 0.511 HD12 ' HA ' ' L' ' 12' ' ' VAL . 27.9 mt -57.25 -60.77 3.13 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' L' L ' 16' ' ' TYR . . . . . 0.934 ' HB3' ' HE2' ' L' ' 24' ' ' PHE . 8.2 p90 -72.45 -9.34 58.41 Favored 'General case' 0 C--N 1.333 -0.114 0 C-N-CA 120.078 -0.649 . . . . 0.0 110.627 -179.434 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' L' L ' 17' ' ' LEU . . . . . 0.577 ' HA ' ' CE1' ' J' ' 5' ' ' HIS . 9.8 tt -74.08 -38.39 63.93 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 177.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' L' L ' 18' ' ' VAL . . . . . 0.467 HG23 ' O ' ' L' ' 14' ' ' ALA . 73.5 t -77.4 -42.23 30.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.362 -0.836 . . . . 0.0 109.646 178.683 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' L' L ' 19' ' ' CYS . . . . . 0.714 ' HB3' ' HB2' ' L' ' 22' ' ' ARG . 70.9 m -68.06 -40.2 82.84 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.708 -179.5 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' L' L ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.13 -96.06 0.6 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.009 -179.351 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' L' L ' 21' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -90.12 -14.43 33.69 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-O 121.46 0.648 . . . . 0.0 109.553 179.543 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' L' L ' 22' ' ' ARG . . . . . 0.714 ' HB2' ' HB3' ' L' ' 19' ' ' CYS . 70.9 mtp180 -81.74 160.62 23.58 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.026 179.35 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' L' L ' 23' ' ' GLY . . . . . 0.712 ' HA2' ' HD2' ' J' ' 28' ' ' PRO . . . -108.75 -169.97 20.95 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.725 -0.75 . . . . 0.0 111.259 179.052 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' L' L ' 24' ' ' PHE . . . . . 0.934 ' HE2' ' HB3' ' L' ' 16' ' ' TYR . 28.8 p90 -161.3 159.27 28.31 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 117.351 0.575 . . . . 0.0 111.005 179.572 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' L' L ' 25' ' ' PHE . . . . . . . . . . . . . 15.6 m-30 -104.27 108.13 19.37 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 179.094 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' L' L ' 26' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -107.8 99.53 8.99 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.305 0.574 . . . . 0.0 111.93 -178.627 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' L' L ' 27' ' ' THR . . . . . 0.652 ' HA ' ' HA3' ' J' ' 23' ' ' GLY . 4.7 m -118.6 99.8 51.33 Favored Pre-proline 0 C--N 1.315 -0.908 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 177.705 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' L' L ' 28' ' ' PRO . . . . . 0.701 ' HD2' ' HA2' ' J' ' 23' ' ' GLY . 32.0 Cg_endo -65.33 -114.74 0.0 OUTLIER 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.939 2.426 . . . . 0.0 112.407 -178.178 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' L' L ' 29' ' ' LYS . . . . . 0.474 ' H ' ' HB2' ' L' ' 28' ' ' PRO . 76.7 tttt . . . . . 0 N--CA 1.466 0.358 0 C-N-CA 123.002 0.521 . . . . 0.0 110.784 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.773 0 N-CA-C 111.613 -0.595 . . . . 0.0 111.613 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.424 ' HB ' ' CE1' ' A' ' 19' ' ' TYR . 7.2 tt -59.08 -40.9 81.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.8 0.333 . . . . 0.0 111.531 -179.379 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.489 HG21 ' HA ' ' B' ' 28' ' ' PRO . 40.8 t -62.1 -28.69 44.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.221 -179.68 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -76.14 -73.18 0.28 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.874 0.369 . . . . 0.0 111.225 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.501 ' HA ' HG22 ' A' ' 8' ' ' THR . 16.5 pt20 -50.76 -46.14 59.29 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 113.215 0.82 . . . . 0.0 113.215 -178.368 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 84.6 m -71.11 -24.92 62.38 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 -178.111 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.559 ' HB2' HD11 ' B' ' 11' ' ' LEU . 8.9 t -107.69 18.64 21.16 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.454 -0.498 . . . . 0.0 111.192 -179.746 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.501 HG22 ' HA ' ' A' ' 5' ' ' GLN . 13.4 t -120.65 -43.54 2.48 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.35 178.773 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.472 ' O ' ' HB ' ' A' ' 10' ' ' ILE . 58.1 m -143.87 19.35 1.8 Allowed 'General case' 0 CA--C 1.529 0.173 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 179.247 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.949 HG13 HG12 ' F' ' 2' ' ' VAL . 57.6 mt 72.12 141.6 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 CA-C-O 121.269 0.557 . . . . 0.0 111.98 178.504 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 96.8 m -106.2 149.65 26.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.454 179.174 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 28.8 t -77.4 157.85 30.36 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 178.705 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.477 HD21 HD21 ' G' ' 13' ' ' LEU . 58.8 tp -52.49 -46.66 66.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.329 -179.744 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -63.61 -33.1 74.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.581 -179.49 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.54 ' O ' ' HB3' ' A' ' 18' ' ' ASN . 87.8 mt-30 -70.72 -37.02 73.47 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 179.097 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 87.8 mt -69.34 -39.67 78.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.619 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.472 ' HG3' ' O ' ' A' ' 13' ' ' LEU . 33.6 mt-10 -61.98 -27.07 68.59 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.144 0.497 . . . . 0.0 110.268 179.272 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.54 ' HB3' ' O ' ' A' ' 15' ' ' GLN . 10.9 t30 -61.32 -27.59 68.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.783 179.34 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.424 ' CE1' ' HB ' ' A' ' 2' ' ' ILE . 82.7 m-85 -95.88 -86.32 0.31 Allowed 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 178.788 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 16.0 t 54.4 -114.06 0.84 Allowed 'General case' 0 CA--C 1.532 0.281 0 O-C-N 123.847 0.717 . . . . 0.0 110.681 179.497 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.637 ' HB2' ' HA ' ' B' ' 24' ' ' PHE . 13.3 t30 . . . . . 0 C--O 1.245 0.827 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 179.108 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 2.7 p90 . . . . . 0 N--CA 1.48 1.072 0 CA-C-O 121.623 0.725 . . . . 0.0 111.447 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 2' ' ' VAL . . . . . 0.976 HG12 HG13 ' I' ' 10' ' ' ILE . 16.3 m -130.53 97.51 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.701 0.763 . . . . 0.0 110.352 179.532 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 3' ' ' ASN . . . . . 0.54 ' O ' ' HB3' ' B' ' 7' ' ' CYS . 42.0 t30 -157.01 -52.81 0.08 Allowed 'General case' 0 C--O 1.217 -0.651 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.05 -179.409 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -58.78 -39.01 79.77 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.257 179.02 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 5' ' ' HIS . . . . . 0.716 ' HA ' ' HE1' ' D' ' 16' ' ' TYR . 7.9 t60 -77.23 -27.03 53.24 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.452 -179.388 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.632 HD13 ' HB2' ' J' ' 7' ' ' CYS . 36.5 mt -89.23 -60.5 1.93 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.694 0.759 . . . . 0.0 110.552 -179.076 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 7' ' ' CYS . . . . . 0.628 ' HB2' HD13 ' F' ' 6' ' ' LEU . 0.0 OUTLIER -61.8 -48.03 82.45 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 114.534 -1.212 . . . . 0.0 110.948 179.752 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 8' ' ' GLY . . . . . 0.7 ' HA2' ' HG ' ' B' ' 11' ' ' LEU . . . -59.41 -30.27 67.8 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 121.169 -0.539 . . . . 0.0 112.612 179.733 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 9' ' ' SER . . . . . 0.456 ' OG ' ' HG3' ' D' ' 13' ' ' GLU . 0.3 OUTLIER -69.39 -10.23 57.05 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.941 0.401 . . . . 0.0 110.749 179.61 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -117.5 -9.15 10.89 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-O 120.766 0.317 . . . . 0.0 111.242 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.7 ' HG ' ' HA2' ' B' ' 8' ' ' GLY . 35.4 mt -69.23 -30.4 68.54 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 107.09 -1.448 . . . . 0.0 107.09 177.059 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.619 ' HB ' ' CZ ' ' B' ' 24' ' ' PHE . 10.7 m -68.19 -32.63 56.72 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 CA-C-N 114.596 -1.183 . . . . 0.0 109.89 177.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.457 ' HG3' ' OG ' ' D' ' 9' ' ' SER . 30.0 tt0 -64.45 -33.81 76.73 Favored 'General case' 0 C--O 1.231 0.101 0 N-CA-C 108.949 -0.759 . . . . 0.0 108.949 179.2 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 14' ' ' ALA . . . . . 0.438 ' O ' HG23 ' B' ' 18' ' ' VAL . . . -72.5 -48.82 37.47 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.656 177.711 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 95.9 mt -59.16 -35.77 74.11 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.496 0.665 . . . . 0.0 110.014 178.768 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 16' ' ' TYR . . . . . 0.723 ' HE1' ' HA ' ' D' ' 5' ' ' HIS . 2.1 t80 -56.56 -40.49 75.26 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.63 -1.168 . . . . 0.0 110.241 179.702 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.4 ' HG ' ' CB ' ' H' ' 14' ' ' ALA . 4.0 mm? -73.67 -43.93 58.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.524 179.219 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.438 HG23 ' O ' ' B' ' 14' ' ' ALA . 56.9 t -60.55 -47.15 94.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.174 -179.603 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 19' ' ' CYS . . . . . 0.513 ' HB3' ' HB3' ' B' ' 22' ' ' ARG . 78.7 m -80.64 -30.62 36.62 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.66 -179.35 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 20' ' ' GLY . . . . . 0.426 ' HA2' ' HE1' ' D' ' 5' ' ' HIS . . . 73.09 -136.78 23.04 Favored Glycine 0 N--CA 1.447 -0.567 0 N-CA-C 110.329 -1.108 . . . . 0.0 110.329 -178.338 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -85.86 57.25 4.37 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.725 0.774 . . . . 0.0 108.961 178.461 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 22' ' ' ARG . . . . . 0.513 ' HB3' ' HB3' ' B' ' 19' ' ' CYS . 33.4 ttt180 -118.95 -49.33 2.42 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.988 -1.005 . . . . 0.0 110.303 -178.581 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 23' ' ' GLY . . . . . 0.921 ' HA2' ' HD2' ' D' ' 28' ' ' PRO . . . 111.84 178.36 20.08 Favored Glycine 0 N--CA 1.445 -0.721 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.067 -178.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 24' ' ' PHE . . . . . 0.637 ' HA ' ' HB2' ' A' ' 21' ' ' ASN . 1.5 p90 -166.04 165.47 17.87 Favored 'General case' 0 C--O 1.24 0.562 0 CA-C-O 121.054 0.454 . . . . 0.0 110.948 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 12.3 p90 -122.67 126.8 48.33 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 177.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.445 ' CD2' ' HD3' ' B' ' 28' ' ' PRO . 24.6 t80 -129.35 122.69 30.02 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.929 -0.308 . . . . 0.0 110.363 -178.37 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 27' ' ' THR . . . . . 0.449 ' HA ' ' HA3' ' D' ' 23' ' ' GLY . 1.1 p -128.08 78.94 74.67 Favored Pre-proline 0 C--N 1.325 -0.457 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 -178.487 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 28' ' ' PRO . . . . . 0.891 ' HD2' ' HA2' ' D' ' 23' ' ' GLY . 89.0 Cg_endo -81.64 135.88 9.35 Favored 'Trans proline' 0 N--CA 1.461 -0.438 0 C-N-CA 122.539 2.159 . . . . 0.0 110.231 177.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -154.13 125.41 7.4 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 119.863 -0.735 . . . . 0.0 112.344 -178.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 30' ' ' THR . . . . . 0.404 ' H ' ' HB3' ' D' ' 21' ' ' GLU . 1.4 p . . . . . 0 C--O 1.246 0.876 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 177.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.98 0 N-CA-C 112.161 -0.376 . . . . 0.0 112.161 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' C' C ' 2' ' ' ILE . . . . . 0.437 ' HB ' ' CE1' ' C' ' 19' ' ' TYR . 7.3 tt -58.05 -41.67 81.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.048 0.451 . . . . 0.0 111.643 -179.61 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 3' ' ' VAL . . . . . 0.489 HG21 ' HA ' ' D' ' 28' ' ' PRO . 39.8 t -60.62 -31.07 48.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.273 -179.837 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -74.66 -72.82 0.27 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.389 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 5' ' ' GLN . . . . . 0.502 ' HA ' HG22 ' C' ' 8' ' ' THR . 15.9 pt20 -51.58 -43.04 62.33 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 113.475 0.917 . . . . 0.0 113.475 -178.045 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 82.0 m -74.13 -24.54 59.44 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -178.179 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 7' ' ' CYS . . . . . 0.584 ' HB2' HD11 ' D' ' 11' ' ' LEU . 9.5 t -107.87 18.71 20.97 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.954 -179.677 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 8' ' ' THR . . . . . 0.502 HG22 ' HA ' ' C' ' 5' ' ' GLN . 12.3 t -120.3 -43.6 2.51 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.353 178.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 9' ' ' SER . . . . . 0.44 ' O ' ' HB ' ' C' ' 10' ' ' ILE . 63.7 m -144.85 21.13 1.63 Allowed 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 179.162 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 10' ' ' ILE . . . . . 0.936 HG13 HG12 ' L' ' 2' ' ' VAL . 57.0 mt 70.96 141.7 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 CA-C-O 121.352 0.596 . . . . 0.0 112.409 178.342 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 99.4 m -106.62 149.38 27.26 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.08 0.467 . . . . 0.0 110.476 179.011 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 40.9 t -77.21 157.18 31.01 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.507 178.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 13' ' ' LEU . . . . . 0.474 ' O ' ' HG3' ' C' ' 17' ' ' GLU . 58.1 tp -52.01 -46.75 65.08 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.505 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -64.14 -32.58 74.2 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.64 -179.597 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 15' ' ' GLN . . . . . 0.502 ' O ' ' HB3' ' C' ' 18' ' ' ASN . 88.4 mt-30 -70.65 -37.23 73.7 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.11 0.481 . . . . 0.0 109.862 179.145 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 87.9 mt -69.27 -39.41 78.41 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.789 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 17' ' ' GLU . . . . . 0.474 ' HG3' ' O ' ' C' ' 13' ' ' LEU . 40.6 mt-10 -61.78 -28.39 69.42 Favored 'General case' 0 N--CA 1.461 0.095 0 CA-C-O 120.961 0.41 . . . . 0.0 110.337 179.328 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 18' ' ' ASN . . . . . 0.502 ' HB3' ' O ' ' C' ' 15' ' ' GLN . 10.5 t30 -59.97 -28.96 68.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.778 179.699 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 19' ' ' TYR . . . . . 0.437 ' CE1' ' HB ' ' C' ' 2' ' ' ILE . 80.6 m-85 -94.27 -86.15 0.28 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.304 -0.407 . . . . 0.0 109.906 178.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 15.9 t 54.12 -113.33 0.77 Allowed 'General case' 0 CA--C 1.533 0.314 0 O-C-N 123.742 0.651 . . . . 0.0 110.541 179.674 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 21' ' ' ASN . . . . . 0.649 ' HB2' ' HA ' ' D' ' 24' ' ' PHE . 14.1 t30 . . . . . 0 C--O 1.243 0.739 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 179.14 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 2.8 p90 . . . . . 0 N--CA 1.481 1.093 0 CA-C-O 121.395 0.616 . . . . 0.0 111.523 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' D' D ' 2' ' ' VAL . . . . . 0.93 HG12 HG13 ' G' ' 10' ' ' ILE . 16.1 m -131.23 97.35 2.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.681 0.753 . . . . 0.0 110.35 179.336 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 3' ' ' ASN . . . . . 0.534 ' O ' ' HB3' ' D' ' 7' ' ' CYS . 42.4 t30 -156.77 -52.81 0.08 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.129 -179.688 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -58.4 -38.91 78.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.171 179.007 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 5' ' ' HIS . . . . . 0.723 ' HA ' ' HE1' ' B' ' 16' ' ' TYR . 8.6 t60 -77.4 -27.18 52.32 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.585 -179.282 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 6' ' ' LEU . . . . . 0.636 HD13 ' HB2' ' H' ' 7' ' ' CYS . 33.9 mt -89.36 -59.24 2.27 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.61 0.719 . . . . 0.0 110.631 -179.008 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 7' ' ' CYS . . . . . 0.633 ' HB2' HD13 ' L' ' 6' ' ' LEU . 0.0 OUTLIER -63.22 -47.88 80.66 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 114.685 -1.143 . . . . 0.0 110.784 179.916 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' D' D ' 8' ' ' GLY . . . . . 0.702 ' HA2' ' HG ' ' D' ' 11' ' ' LEU . . . -59.6 -29.75 67.44 Favored Glycine 0 C--N 1.331 0.302 0 C-N-CA 121.063 -0.589 . . . . 0.0 112.627 179.676 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 9' ' ' SER . . . . . 0.457 ' OG ' ' HG3' ' B' ' 13' ' ' GLU . 0.3 OUTLIER -69.57 -9.94 56.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.891 0.377 . . . . 0.0 110.776 179.474 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' D' D ' 10' ' ' HIS . . . . . . . . . . . . . 87.5 m-70 -118.07 -9.11 10.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.738 0.304 . . . . 0.0 111.148 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 11' ' ' LEU . . . . . 0.702 ' HG ' ' HA2' ' D' ' 8' ' ' GLY . 36.3 mt -69.24 -30.26 68.35 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 107.117 -1.438 . . . . 0.0 107.117 177.039 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 12' ' ' VAL . . . . . 0.618 ' HB ' ' CZ ' ' D' ' 24' ' ' PHE . 10.7 m -68.47 -32.47 55.51 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 CA-C-N 114.525 -1.216 . . . . 0.0 109.832 177.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 13' ' ' GLU . . . . . 0.456 ' HG3' ' OG ' ' B' ' 9' ' ' SER . 29.5 tt0 -64.4 -33.89 76.9 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 179.132 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 14' ' ' ALA . . . . . 0.442 ' O ' HG23 ' D' ' 18' ' ' VAL . . . -72.5 -48.84 37.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.696 177.771 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 94.7 mt -59.13 -35.78 74.07 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.429 0.633 . . . . 0.0 109.925 178.689 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 16' ' ' TYR . . . . . 0.716 ' HE1' ' HA ' ' B' ' 5' ' ' HIS . 2.0 t80 -56.28 -40.7 74.69 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.727 -1.124 . . . . 0.0 110.269 179.538 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 17' ' ' LEU . . . . . 0.404 ' HG ' ' CB ' ' J' ' 14' ' ' ALA . 4.1 mm? -73.71 -43.61 58.75 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.098 0.475 . . . . 0.0 110.645 179.122 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 18' ' ' VAL . . . . . 0.442 HG23 ' O ' ' D' ' 14' ' ' ALA . 55.5 t -61.02 -45.54 98.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.351 -179.636 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 19' ' ' CYS . . . . . 0.482 ' HB3' ' HB3' ' D' ' 22' ' ' ARG . 77.2 m -82.88 -28.66 29.87 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.729 -179.352 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 20' ' ' GLY . . . . . 0.445 ' HA2' ' HE1' ' B' ' 5' ' ' HIS . . . 71.24 -136.3 24.96 Favored Glycine 0 N--CA 1.447 -0.591 0 N-CA-C 110.691 -0.963 . . . . 0.0 110.691 -178.607 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 21' ' ' GLU . . . . . 0.404 ' HB3' ' H ' ' B' ' 30' ' ' THR . 22.5 mm-40 -86.31 57.54 4.54 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 178.45 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 22' ' ' ARG . . . . . 0.482 ' HB3' ' HB3' ' D' ' 19' ' ' CYS . 30.8 ttt180 -119.39 -49.65 2.36 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.143 -178.648 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 23' ' ' GLY . . . . . 0.891 ' HA2' ' HD2' ' B' ' 28' ' ' PRO . . . 112.17 178.13 19.94 Favored Glycine 0 N--CA 1.444 -0.785 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.141 -179.144 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 24' ' ' PHE . . . . . 0.649 ' HA ' ' HB2' ' C' ' 21' ' ' ASN . 1.5 p90 -165.99 164.99 18.29 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-O 121.168 0.509 . . . . 0.0 110.93 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 25' ' ' PHE . . . . . 0.4 ' CE1' ' HA ' ' C' ' 21' ' ' ASN . 12.0 p90 -121.95 128.22 51.25 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 177.735 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 26' ' ' TYR . . . . . 0.462 ' CD2' ' HD3' ' D' ' 28' ' ' PRO . 25.3 t80 -130.75 122.28 26.94 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 -178.247 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 27' ' ' THR . . . . . 0.455 ' HA ' ' HA3' ' B' ' 23' ' ' GLY . 1.7 p -127.42 78.39 74.69 Favored Pre-proline 0 C--N 1.326 -0.425 0 N-CA-C 113.451 0.908 . . . . 0.0 113.451 -178.604 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 28' ' ' PRO . . . . . 0.921 ' HD2' ' HA2' ' B' ' 23' ' ' GLY . 86.3 Cg_endo -81.11 135.58 9.82 Favored 'Trans proline' 0 N--CA 1.461 -0.441 0 C-N-CA 122.428 2.085 . . . . 0.0 110.418 177.755 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -153.43 127.05 8.74 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.122 -0.631 . . . . 0.0 112.458 -178.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 C--O 1.246 0.91 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.165 178.319 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.724 0 N-CA-C 111.902 -0.479 . . . . 0.0 111.902 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' E' E ' 2' ' ' ILE . . . . . 0.425 ' HB ' ' CE1' ' E' ' 19' ' ' TYR . 7.4 tt -59.49 -41.55 85.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.959 0.409 . . . . 0.0 111.358 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' E' E ' 3' ' ' VAL . . . . . 0.481 HG21 ' HA ' ' F' ' 28' ' ' PRO . 37.2 t -60.9 -29.66 45.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.057 0.456 . . . . 0.0 111.119 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' E' E ' 4' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -74.94 -73.9 0.22 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.853 0.359 . . . . 0.0 111.071 179.694 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 5' ' ' GLN . . . . . 0.526 ' HA ' HG22 ' E' ' 8' ' ' THR . 16.2 pt20 -51.16 -43.85 61.35 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 -178.359 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' E' E ' 6' ' ' CYS . . . . . . . . . . . . . 80.1 m -73.58 -24.78 60.12 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 -178.256 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 7' ' ' CYS . . . . . 0.586 ' HB2' HD11 ' F' ' 11' ' ' LEU . 9.1 t -107.38 18.65 21.31 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.463 -0.495 . . . . 0.0 111.161 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' E' E ' 8' ' ' THR . . . . . 0.526 HG22 ' HA ' ' E' ' 5' ' ' GLN . 11.8 t -120.46 -43.45 2.5 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.237 178.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' E' E ' 9' ' ' SER . . . . . 0.45 ' O ' ' HB ' ' E' ' 10' ' ' ILE . 47.6 m -145.1 21.65 1.57 Allowed 'General case' 0 C--O 1.233 0.232 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 179.178 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' E' E ' 10' ' ' ILE . . . . . 0.939 HG13 HG12 ' J' ' 2' ' ' VAL . 57.9 mt 70.58 141.2 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 CA-C-O 121.365 0.602 . . . . 0.0 112.407 178.156 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' E' E ' 11' ' ' CYS . . . . . . . . . . . . . 93.5 m -105.37 151.07 24.64 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.382 178.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 12' ' ' SER . . . . . . . . . . . . . 37.0 t -78.93 157.55 28.2 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 178.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 13' ' ' LEU . . . . . 0.471 HD21 HD21 ' K' ' 13' ' ' LEU . 57.9 tp -52.31 -46.77 66.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.876 0.37 . . . . 0.0 111.278 -179.546 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -63.85 -31.98 73.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.775 -179.41 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 15' ' ' GLN . . . . . 0.524 ' O ' ' HB3' ' E' ' 18' ' ' ASN . 88.7 mt-30 -71.56 -37.25 71.09 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.021 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' E' E ' 16' ' ' LEU . . . . . . . . . . . . . 87.0 mt -69.0 -40.14 78.89 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.762 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 17' ' ' GLU . . . . . 0.459 ' HG3' ' O ' ' E' ' 13' ' ' LEU . 38.8 mt-10 -61.31 -28.35 69.14 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.036 0.446 . . . . 0.0 110.312 179.273 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' E' E ' 18' ' ' ASN . . . . . 0.524 ' HB3' ' O ' ' E' ' 15' ' ' GLN . 10.8 t30 -59.13 -30.11 67.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.894 179.23 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' E' E ' 19' ' ' TYR . . . . . 0.425 ' CE1' ' HB ' ' E' ' 2' ' ' ILE . 78.2 m-85 -93.57 -87.14 0.25 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.309 -0.405 . . . . 0.0 109.978 178.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' E' E ' 20' ' ' CYS . . . . . . . . . . . . . 17.6 t 54.98 -113.57 0.8 Allowed 'General case' 0 CA--C 1.532 0.275 0 O-C-N 123.706 0.629 . . . . 0.0 110.521 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 21' ' ' ASN . . . . . 0.617 ' HB2' ' HA ' ' F' ' 24' ' ' PHE . 14.9 t30 . . . . . 0 C--O 1.248 0.977 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 179.308 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 1' ' ' PHE . . . . . . . . . . . . . 2.5 p90 . . . . . 0 N--CA 1.481 1.097 0 CA-C-O 121.426 0.631 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' F' F ' 2' ' ' VAL . . . . . 0.949 HG12 HG13 ' A' ' 10' ' ' ILE . 16.1 m -131.04 97.79 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.888 0.852 . . . . 0.0 110.261 179.596 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' F' F ' 3' ' ' ASN . . . . . 0.552 ' O ' ' HB3' ' F' ' 7' ' ' CYS . 43.2 t30 -157.36 -52.55 0.07 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.272 -0.877 . . . . 0.0 109.111 -179.492 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' F' F ' 4' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -58.88 -38.87 79.79 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.856 0.36 . . . . 0.0 111.201 179.076 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 5' ' ' HIS . . . . . 0.718 ' HA ' ' HE1' ' H' ' 16' ' ' TYR . 8.1 t60 -77.26 -27.61 53.24 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.519 -179.252 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' F' F ' 6' ' ' LEU . . . . . 0.628 HD13 ' HB2' ' B' ' 7' ' ' CYS . 35.6 mt -88.75 -59.69 2.16 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.678 0.751 . . . . 0.0 110.631 -179.084 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' F' F ' 7' ' ' CYS . . . . . 0.626 ' HB2' HD13 ' J' ' 6' ' ' LEU . 0.0 OUTLIER -62.63 -48.23 80.3 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 114.561 -1.2 . . . . 0.0 110.956 179.717 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' F' F ' 8' ' ' GLY . . . . . 0.692 ' HA2' ' HG ' ' F' ' 11' ' ' LEU . . . -59.28 -30.03 66.96 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 121.054 -0.593 . . . . 0.0 112.621 179.687 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' F' F ' 9' ' ' SER . . . . . 0.467 ' OG ' ' HG3' ' H' ' 13' ' ' GLU . 0.3 OUTLIER -69.58 -9.64 54.87 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.975 0.416 . . . . 0.0 110.655 179.605 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' F' F ' 10' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -118.24 -8.94 10.54 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 120.754 0.311 . . . . 0.0 111.128 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 11' ' ' LEU . . . . . 0.692 ' HG ' ' HA2' ' F' ' 8' ' ' GLY . 35.7 mt -69.66 -30.27 67.92 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 107.048 -1.464 . . . . 0.0 107.048 177.051 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' F' F ' 12' ' ' VAL . . . . . 0.617 ' HB ' ' CZ ' ' F' ' 24' ' ' PHE . 10.6 m -68.42 -32.39 55.29 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.321 0 CA-C-N 114.667 -1.151 . . . . 0.0 109.756 177.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' F' F ' 13' ' ' GLU . . . . . 0.473 ' HG3' ' OG ' ' H' ' 9' ' ' SER . 29.9 tt0 -64.42 -33.55 76.12 Favored 'General case' 0 C--N 1.334 -0.092 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 179.136 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' F' F ' 14' ' ' ALA . . . . . 0.427 ' O ' HG23 ' F' ' 18' ' ' VAL . . . -72.69 -49.06 33.91 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.594 177.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' F' F ' 15' ' ' LEU . . . . . . . . . . . . . 93.8 mt -58.99 -35.64 73.56 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.949 178.672 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 16' ' ' TYR . . . . . 0.713 ' HE1' ' HA ' ' H' ' 5' ' ' HIS . 2.0 t80 -56.72 -40.03 74.96 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 114.861 -1.063 . . . . 0.0 110.22 179.645 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' F' F ' 17' ' ' LEU . . . . . 0.4 ' HG ' ' CB ' ' L' ' 14' ' ' ALA . 4.0 mm? -74.36 -43.57 55.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.49 179.203 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' F' F ' 18' ' ' VAL . . . . . 0.427 HG23 ' O ' ' F' ' 14' ' ' ALA . 60.7 t -60.29 -47.44 92.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.319 -179.746 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' F' F ' 19' ' ' CYS . . . . . 0.496 ' HB3' ' HB3' ' F' ' 22' ' ' ARG . 77.1 m -80.66 -30.2 36.57 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.571 -179.268 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' F' F ' 20' ' ' GLY . . . . . 0.46 ' HA2' ' HE1' ' H' ' 5' ' ' HIS . . . 72.99 -135.79 21.87 Favored Glycine 0 N--CA 1.446 -0.692 0 N-CA-C 110.535 -1.026 . . . . 0.0 110.535 -178.582 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' F' F ' 21' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -87.04 57.89 4.75 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 178.285 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 22' ' ' ARG . . . . . 0.496 ' HB3' ' HB3' ' F' ' 19' ' ' CYS . 31.7 ttt180 -119.97 -49.27 2.31 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.124 -178.63 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' F' F ' 23' ' ' GLY . . . . . 0.925 ' HA2' ' HD2' ' H' ' 28' ' ' PRO . . . 111.69 178.33 20.14 Favored Glycine 0 N--CA 1.444 -0.823 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.084 -179.137 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' F' F ' 24' ' ' PHE . . . . . 0.617 ' HA ' ' HB2' ' E' ' 21' ' ' ASN . 1.6 p90 -166.07 165.2 17.99 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-O 121.179 0.514 . . . . 0.0 110.913 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' F' F ' 25' ' ' PHE . . . . . 0.402 ' CE1' ' HA ' ' E' ' 21' ' ' ASN . 11.7 p90 -122.2 127.54 50.12 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 177.818 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' F' F ' 26' ' ' TYR . . . . . 0.478 ' CD2' ' HD3' ' F' ' 28' ' ' PRO . 24.7 t80 -130.02 122.32 28.18 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 -178.459 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' F' F ' 27' ' ' THR . . . . . 0.459 ' HA ' ' HA3' ' H' ' 23' ' ' GLY . 1.2 p -127.79 78.05 75.52 Favored Pre-proline 0 C--N 1.325 -0.481 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -178.375 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' F' F ' 28' ' ' PRO . . . . . 0.916 ' HD2' ' HA2' ' H' ' 23' ' ' GLY . 88.1 Cg_endo -80.54 136.88 11.25 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.531 2.154 . . . . 0.0 110.373 177.807 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' F' F ' 29' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -154.77 127.97 8.35 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.232 -0.587 . . . . 0.0 112.245 -179.092 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 30' ' ' THR . . . . . . . . . . . . . 1.6 p . . . . . 0 C--O 1.243 0.758 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 177.802 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' G' G ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.678 0 N-CA-C 111.875 -0.49 . . . . 0.0 111.875 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' G' G ' 2' ' ' ILE . . . . . . . . . . . . . 7.6 tt -58.58 -41.06 80.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 121.142 0.496 . . . . 0.0 111.792 -179.472 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' G' G ' 3' ' ' VAL . . . . . 0.5 HG21 ' HA ' ' H' ' 28' ' ' PRO . 39.8 t -62.01 -28.31 44.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.238 -179.748 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' G' G ' 4' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -76.3 -73.5 0.27 Allowed 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 120.742 0.306 . . . . 0.0 110.992 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' G' G ' 5' ' ' GLN . . . . . 0.515 ' HA ' HG22 ' G' ' 8' ' ' THR . 16.3 pt20 -50.86 -45.0 59.68 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 113.353 0.871 . . . . 0.0 113.353 -178.232 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' G' G ' 6' ' ' CYS . . . . . . . . . . . . . 83.4 m -72.56 -23.77 61.02 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 -178.044 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' G' G ' 7' ' ' CYS . . . . . 0.563 ' HB2' HD11 ' H' ' 11' ' ' LEU . 8.9 t -108.19 17.0 22.76 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.068 0.461 . . . . 0.0 110.946 -179.732 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' G' G ' 8' ' ' THR . . . . . 0.515 HG22 ' HA ' ' G' ' 5' ' ' GLN . 13.8 t -118.75 -43.82 2.66 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.336 178.763 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' G' G ' 9' ' ' SER . . . . . 0.439 ' O ' ' HB ' ' G' ' 10' ' ' ILE . 71.5 m -144.53 21.39 1.68 Allowed 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 179.523 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' G' G ' 10' ' ' ILE . . . . . 0.93 HG13 HG12 ' D' ' 2' ' ' VAL . 58.2 mt 70.77 140.93 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 CA-C-O 121.346 0.593 . . . . 0.0 112.174 178.309 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' G' G ' 11' ' ' CYS . . . . . . . . . . . . . 93.6 m -105.85 150.63 25.42 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.423 178.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' G' G ' 12' ' ' SER . . . . . . . . . . . . . 39.6 t -78.18 157.53 29.35 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.323 178.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' G' G ' 13' ' ' LEU . . . . . 0.477 HD21 HD21 ' A' ' 13' ' ' LEU . 58.3 tp -52.47 -47.22 66.63 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 122.694 0.398 . . . . 0.0 111.441 -179.665 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -63.69 -33.39 75.54 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.423 -179.452 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' G' G ' 15' ' ' GLN . . . . . 0.518 ' O ' ' HB3' ' G' ' 18' ' ' ASN . 87.6 mt-30 -70.05 -37.31 75.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.891 0.377 . . . . 0.0 110.051 178.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' G' G ' 16' ' ' LEU . . . . . . . . . . . . . 86.9 mt -69.04 -39.01 79.44 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.685 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' G' G ' 17' ' ' GLU . . . . . 0.466 ' HG3' ' O ' ' G' ' 13' ' ' LEU . 38.0 mt-10 -62.39 -27.74 69.29 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.349 179.416 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' G' G ' 18' ' ' ASN . . . . . 0.518 ' HB3' ' O ' ' G' ' 15' ' ' GLN . 10.1 t30 -60.21 -29.34 68.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.537 179.461 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' G' G ' 19' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -94.05 -86.54 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.096 178.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' G' G ' 20' ' ' CYS . . . . . . . . . . . . . 16.8 t 54.07 -113.81 0.81 Allowed 'General case' 0 CA--C 1.533 0.312 0 O-C-N 123.599 0.562 . . . . 0.0 110.859 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' G' G ' 21' ' ' ASN . . . . . 0.653 ' HB2' ' HA ' ' H' ' 24' ' ' PHE . 12.7 t30 . . . . . 0 C--O 1.247 0.963 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 179.444 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' H' H ' 1' ' ' PHE . . . . . . . . . . . . . 2.4 p90 . . . . . 0 N--CA 1.479 1.013 0 CA-C-O 121.527 0.68 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' H' H ' 2' ' ' VAL . . . . . 0.957 HG12 HG13 ' K' ' 10' ' ' ILE . 16.4 m -129.48 97.16 3.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.801 0.81 . . . . 0.0 110.47 179.683 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' H' H ' 3' ' ' ASN . . . . . 0.545 ' O ' ' HB3' ' H' ' 7' ' ' CYS . 42.2 t30 -156.6 -52.82 0.08 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.467 -0.788 . . . . 0.0 108.975 -179.768 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' H' H ' 4' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -58.49 -38.66 78.11 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.895 0.379 . . . . 0.0 111.26 179.229 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' H' H ' 5' ' ' HIS . . . . . 0.713 ' HA ' ' HE1' ' F' ' 16' ' ' TYR . 7.8 t60 -77.66 -26.78 50.63 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.764 -179.258 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' H' H ' 6' ' ' LEU . . . . . 0.622 HD13 ' HB2' ' L' ' 7' ' ' CYS . 34.6 mt -89.54 -59.36 2.23 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.635 0.731 . . . . 0.0 110.55 -179.162 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' H' H ' 7' ' ' CYS . . . . . 0.636 ' HB2' HD13 ' D' ' 6' ' ' LEU . 0.0 OUTLIER -62.98 -48.04 80.56 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.5 -1.227 . . . . 0.0 110.889 179.889 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' H' H ' 8' ' ' GLY . . . . . 0.718 ' HA2' ' HG ' ' H' ' 11' ' ' LEU . . . -59.7 -29.69 67.62 Favored Glycine 0 C--N 1.331 0.282 0 C-N-CA 121.07 -0.586 . . . . 0.0 112.63 179.716 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' H' H ' 9' ' ' SER . . . . . 0.473 ' OG ' ' HG3' ' F' ' 13' ' ' GLU . 0.3 OUTLIER -69.71 -9.77 55.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.972 0.415 . . . . 0.0 110.556 179.551 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' H' H ' 10' ' ' HIS . . . . . . . . . . . . . 87.2 m-70 -118.04 -9.42 10.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.129 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' H' H ' 11' ' ' LEU . . . . . 0.718 ' HG ' ' HA2' ' H' ' 8' ' ' GLY . 35.2 mt -69.06 -30.05 68.3 Favored 'General case' 0 CA--C 1.519 -0.245 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 177.124 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' H' H ' 12' ' ' VAL . . . . . 0.622 ' HB ' ' CZ ' ' H' ' 24' ' ' PHE . 10.9 m -68.57 -32.53 55.6 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 CA-C-N 114.599 -1.182 . . . . 0.0 109.795 177.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' H' H ' 13' ' ' GLU . . . . . 0.467 ' HG3' ' OG ' ' F' ' 9' ' ' SER . 29.5 tt0 -64.22 -33.92 76.91 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 179.119 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' H' H ' 14' ' ' ALA . . . . . 0.433 ' O ' HG23 ' H' ' 18' ' ' VAL . . . -72.52 -49.0 35.86 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.509 -0.768 . . . . 0.0 109.654 177.871 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' H' H ' 15' ' ' LEU . . . . . . . . . . . . . 95.5 mt -58.98 -35.58 73.44 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.41 0.624 . . . . 0.0 110.032 178.759 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' H' H ' 16' ' ' TYR . . . . . 0.718 ' HE1' ' HA ' ' F' ' 5' ' ' HIS . 2.1 t80 -56.85 -40.24 75.73 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.787 -1.097 . . . . 0.0 110.286 179.711 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -74.19 -43.11 58.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.506 179.183 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' H' H ' 18' ' ' VAL . . . . . 0.433 HG23 ' O ' ' H' ' 14' ' ' ALA . 58.0 t -61.31 -46.67 96.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.237 -179.667 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' H' H ' 19' ' ' CYS . . . . . 0.501 ' HB3' ' HB3' ' H' ' 22' ' ' ARG . 76.9 m -80.91 -30.64 35.38 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.614 -179.373 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' H' H ' 20' ' ' GLY . . . . . 0.422 ' HA2' ' HE1' ' F' ' 5' ' ' HIS . . . 73.49 -135.79 21.28 Favored Glycine 0 N--CA 1.447 -0.587 0 N-CA-C 110.598 -1.001 . . . . 0.0 110.598 -178.566 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' H' H ' 21' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -86.96 56.89 4.21 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 178.346 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' H' H ' 22' ' ' ARG . . . . . 0.501 ' HB3' ' HB3' ' H' ' 19' ' ' CYS . 31.9 ttt180 -118.72 -50.59 2.4 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.91 -1.041 . . . . 0.0 110.057 -178.701 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' H' H ' 23' ' ' GLY . . . . . 0.916 ' HA2' ' HD2' ' F' ' 28' ' ' PRO . . . 112.98 179.01 19.54 Favored Glycine 0 N--CA 1.443 -0.853 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.066 -179.216 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' H' H ' 24' ' ' PHE . . . . . 0.653 ' HA ' ' HB2' ' G' ' 21' ' ' ASN . 1.6 p90 -166.11 166.2 17.25 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 121.076 0.465 . . . . 0.0 111.032 179.654 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' H' H ' 25' ' ' PHE . . . . . . . . . . . . . 10.8 p90 -122.99 128.57 50.38 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 177.814 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' H' H ' 26' ' ' TYR . . . . . 0.452 ' CD2' ' HD3' ' H' ' 28' ' ' PRO . 26.0 t80 -131.43 121.09 23.98 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 121.067 -0.253 . . . . 0.0 110.332 -178.252 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' H' H ' 27' ' ' THR . . . . . 0.453 ' HA ' ' HA3' ' F' ' 23' ' ' GLY . 1.4 p -126.4 79.07 71.14 Favored Pre-proline 0 C--N 1.327 -0.411 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 -178.718 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' H' H ' 28' ' ' PRO . . . . . 0.925 ' HD2' ' HA2' ' F' ' 23' ' ' GLY . 91.1 Cg_endo -81.1 136.17 10.14 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 122.481 2.121 . . . . 0.0 110.179 177.743 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' H' H ' 29' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -154.45 126.27 7.63 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.137 -0.625 . . . . 0.0 112.415 -178.815 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' H' H ' 30' ' ' THR . . . . . . . . . . . . . 1.4 p . . . . . 0 C--O 1.247 0.924 0 CA-C-N 115.241 -0.89 . . . . 0.0 108.655 177.912 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' I' I ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.826 0 N-CA-C 111.607 -0.597 . . . . 0.0 111.607 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' I' I ' 2' ' ' ILE . . . . . 0.432 ' HB ' ' CE1' ' I' ' 19' ' ' TYR . 6.9 tt -59.27 -41.15 83.16 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 CA-C-O 120.8 0.333 . . . . 0.0 111.673 -179.695 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' I' I ' 3' ' ' VAL . . . . . 0.489 HG21 ' HA ' ' J' ' 28' ' ' PRO . 39.1 t -61.12 -30.18 47.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 120.972 0.415 . . . . 0.0 111.401 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' I' I ' 4' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -74.63 -73.78 0.22 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.24 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' I' I ' 5' ' ' GLN . . . . . 0.52 ' HA ' HG22 ' I' ' 8' ' ' THR . 16.2 pt20 -51.04 -43.4 60.92 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -178.191 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' I' I ' 6' ' ' CYS . . . . . . . . . . . . . 80.5 m -73.98 -23.88 59.53 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 -178.099 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' I' I ' 7' ' ' CYS . . . . . 0.573 ' HB2' HD11 ' J' ' 11' ' ' LEU . 9.0 t -108.25 18.25 21.29 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.428 -0.509 . . . . 0.0 111.034 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' I' I ' 8' ' ' THR . . . . . 0.52 HG22 ' HA ' ' I' ' 5' ' ' GLN . 14.4 t -119.47 -44.38 2.56 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.416 178.588 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' I' I ' 9' ' ' SER . . . . . 0.436 ' O ' ' HB ' ' I' ' 10' ' ' ILE . 57.7 m -144.31 21.99 1.7 Allowed 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 179.262 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' I' I ' 10' ' ' ILE . . . . . 0.976 HG13 HG12 ' B' ' 2' ' ' VAL . 54.6 mt 70.09 140.5 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 CA-C-O 121.223 0.535 . . . . 0.0 112.395 178.17 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' I' I ' 11' ' ' CYS . . . . . . . . . . . . . 97.6 m -105.14 149.65 25.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.693 178.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' I' I ' 12' ' ' SER . . . . . . . . . . . . . 33.4 t -77.54 157.47 30.34 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.551 -0.536 . . . . 0.0 109.551 179.009 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' I' I ' 13' ' ' LEU . . . . . 0.464 HD21 HD21 ' C' ' 13' ' ' LEU . 58.1 tp -52.13 -47.06 65.55 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 123.33 0.394 . . . . 0.0 111.377 -179.572 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -62.97 -34.41 77.46 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.561 -179.696 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' I' I ' 15' ' ' GLN . . . . . 0.532 ' O ' ' HB3' ' I' ' 18' ' ' ASN . 87.9 mt-30 -69.08 -38.38 78.96 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 178.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' I' I ' 16' ' ' LEU . . . . . . . . . . . . . 86.1 mt -68.14 -39.32 82.71 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.991 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' I' I ' 17' ' ' GLU . . . . . 0.459 ' HG3' ' O ' ' I' ' 13' ' ' LEU . 37.1 mt-10 -62.2 -26.72 68.51 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.083 0.468 . . . . 0.0 110.313 179.367 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' I' I ' 18' ' ' ASN . . . . . 0.532 ' HB3' ' O ' ' I' ' 15' ' ' GLN . 9.6 t30 -61.41 -29.45 69.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.601 179.644 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' I' I ' 19' ' ' TYR . . . . . 0.432 ' CE1' ' HB ' ' I' ' 2' ' ' ILE . 77.9 m-85 -93.87 -86.18 0.27 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.358 -0.383 . . . . 0.0 109.996 179.036 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' I' I ' 20' ' ' CYS . . . . . . . . . . . . . 16.0 t 54.1 -113.54 0.79 Allowed 'General case' 0 CA--C 1.534 0.33 0 O-C-N 123.609 0.568 . . . . 0.0 110.672 179.614 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' I' I ' 21' ' ' ASN . . . . . 0.629 ' HB2' ' HA ' ' J' ' 24' ' ' PHE . 15.6 t30 . . . . . 0 C--O 1.246 0.885 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 179.175 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' J' J ' 1' ' ' PHE . . . . . . . . . . . . . 2.4 p90 . . . . . 0 N--CA 1.48 1.025 0 CA-C-O 121.36 0.6 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' J' J ' 2' ' ' VAL . . . . . 0.939 HG12 HG13 ' E' ' 10' ' ' ILE . 16.0 m -131.81 97.15 2.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.878 0.847 . . . . 0.0 110.327 179.45 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' J' J ' 3' ' ' ASN . . . . . 0.558 ' O ' ' HB3' ' J' ' 7' ' ' CYS . 41.6 t30 -156.83 -51.95 0.08 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.109 -179.526 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' J' J ' 4' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -59.22 -38.78 80.78 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.137 179.081 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' J' J ' 5' ' ' HIS . . . . . 0.73 ' HA ' ' HE1' ' L' ' 16' ' ' TYR . 8.4 t60 -77.51 -27.48 51.77 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.49 -179.409 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' J' J ' 6' ' ' LEU . . . . . 0.626 HD13 ' HB2' ' F' ' 7' ' ' CYS . 35.2 mt -88.95 -59.15 2.3 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.647 0.736 . . . . 0.0 110.773 -178.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' J' J ' 7' ' ' CYS . . . . . 0.632 ' HB2' HD13 ' B' ' 6' ' ' LEU . 0.0 OUTLIER -63.44 -47.54 81.45 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 114.601 -1.181 . . . . 0.0 110.954 179.718 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' J' J ' 8' ' ' GLY . . . . . 0.693 ' HA2' ' HG ' ' J' ' 11' ' ' LEU . . . -59.46 -30.46 68.3 Favored Glycine 0 C--N 1.33 0.24 0 C-N-CA 121.079 -0.581 . . . . 0.0 112.443 179.576 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' J' J ' 9' ' ' SER . . . . . 0.474 ' OG ' ' HG3' ' L' ' 13' ' ' GLU . 0.3 OUTLIER -69.25 -9.87 55.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.871 0.367 . . . . 0.0 110.757 179.675 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' J' J ' 10' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -117.96 -9.41 10.6 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.149 179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' J' J ' 11' ' ' LEU . . . . . 0.693 ' HG ' ' HA2' ' J' ' 8' ' ' GLY . 34.9 mt -69.18 -29.82 67.88 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 177.046 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' J' J ' 12' ' ' VAL . . . . . 0.62 ' HB ' ' CZ ' ' J' ' 24' ' ' PHE . 11.1 m -68.74 -32.5 55.18 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 CA-C-N 114.701 -1.136 . . . . 0.0 109.774 177.836 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' J' J ' 13' ' ' GLU . . . . . 0.472 ' HG3' ' OG ' ' L' ' 9' ' ' SER . 29.9 tt0 -64.32 -33.88 76.86 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 179.272 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' J' J ' 14' ' ' ALA . . . . . 0.428 ' O ' HG23 ' J' ' 18' ' ' VAL . . . -72.33 -48.86 38.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.832 177.76 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' J' J ' 15' ' ' LEU . . . . . . . . . . . . . 93.9 mt -59.16 -35.89 74.32 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.463 0.649 . . . . 0.0 109.905 178.715 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' J' J ' 16' ' ' TYR . . . . . 0.716 ' HE1' ' HA ' ' L' ' 5' ' ' HIS . 2.1 t80 -56.38 -40.27 74.3 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.681 -1.145 . . . . 0.0 110.302 179.623 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' J' J ' 17' ' ' LEU . . . . . 0.413 ' HG ' ' CB ' ' D' ' 14' ' ' ALA . 4.1 mm? -74.36 -43.88 54.69 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.396 179.179 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' J' J ' 18' ' ' VAL . . . . . 0.428 HG23 ' O ' ' J' ' 14' ' ' ALA . 57.5 t -59.98 -48.1 89.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.158 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' J' J ' 19' ' ' CYS . . . . . 0.497 ' HB3' ' HB3' ' J' ' 22' ' ' ARG . 79.0 m -79.43 -32.22 42.77 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.772 -179.428 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' J' J ' 20' ' ' GLY . . . . . 0.423 ' HA2' ' HE1' ' L' ' 5' ' ' HIS . . . 74.72 -136.15 20.39 Favored Glycine 0 N--CA 1.448 -0.551 0 N-CA-C 110.372 -1.091 . . . . 0.0 110.372 -178.626 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' J' J ' 21' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -86.93 57.99 4.82 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 178.352 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' J' J ' 22' ' ' ARG . . . . . 0.497 ' HB3' ' HB3' ' J' ' 19' ' ' CYS . 31.9 ttt180 -119.7 -49.13 2.35 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.105 -178.536 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' J' J ' 23' ' ' GLY . . . . . 0.899 ' HA2' ' HD2' ' L' ' 28' ' ' PRO . . . 111.81 178.87 20.06 Favored Glycine 0 N--CA 1.444 -0.776 0 CA-C-N 115.164 -0.925 . . . . 0.0 111.126 -178.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' J' J ' 24' ' ' PHE . . . . . 0.629 ' HA ' ' HB2' ' I' ' 21' ' ' ASN . 1.5 p90 -166.79 164.86 16.53 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-O 121.127 0.489 . . . . 0.0 110.956 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' J' J ' 25' ' ' PHE . . . . . . . . . . . . . 11.6 p90 -121.99 127.53 50.42 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 177.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' J' J ' 26' ' ' TYR . . . . . 0.477 ' CD2' ' HD3' ' J' ' 28' ' ' PRO . 24.8 t80 -130.3 121.23 25.67 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.489 -178.36 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' J' J ' 27' ' ' THR . . . . . 0.432 ' HA ' ' HA3' ' L' ' 23' ' ' GLY . 1.4 p -126.55 78.34 72.46 Favored Pre-proline 0 CA--C 1.537 0.471 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 -178.474 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' J' J ' 28' ' ' PRO . . . . . 0.918 ' HD2' ' HA2' ' L' ' 23' ' ' GLY . 89.6 Cg_endo -80.91 135.89 10.22 Favored 'Trans proline' 0 N--CA 1.46 -0.452 0 C-N-CA 122.276 1.984 . . . . 0.0 110.28 177.763 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' J' J ' 29' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -153.6 127.78 9.08 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.294 -0.562 . . . . 0.0 112.263 -178.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' J' J ' 30' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 C--O 1.247 0.962 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 178.145 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.948 0 N-CA-C 112.278 -0.329 . . . . 0.0 112.278 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' K' K ' 2' ' ' ILE . . . . . 0.438 ' HB ' ' CE1' ' K' ' 19' ' ' TYR . 7.0 tt -59.17 -41.34 83.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.108 0.48 . . . . 0.0 111.517 -179.568 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' K' K ' 3' ' ' VAL . . . . . 0.479 HG21 ' HA ' ' L' ' 28' ' ' PRO . 40.3 t -60.92 -30.71 48.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.212 -179.518 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' K' K ' 4' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -74.56 -73.1 0.25 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.536 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' K' K ' 5' ' ' GLN . . . . . 0.526 ' HA ' HG22 ' K' ' 8' ' ' THR . 15.9 pt20 -51.28 -43.48 61.6 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 -178.063 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' K' K ' 6' ' ' CYS . . . . . . . . . . . . . 79.0 m -73.56 -24.82 60.15 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 -178.115 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' K' K ' 7' ' ' CYS . . . . . 0.556 ' HB2' HD11 ' L' ' 11' ' ' LEU . 9.0 t -107.43 18.24 21.79 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.514 -0.474 . . . . 0.0 111.118 -179.772 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' K' K ' 8' ' ' THR . . . . . 0.526 HG22 ' HA ' ' K' ' 5' ' ' GLN . 14.2 t -119.75 -44.06 2.55 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 120.581 -0.448 . . . . 0.0 110.195 178.802 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' K' K ' 9' ' ' SER . . . . . 0.453 ' O ' ' HB ' ' K' ' 10' ' ' ILE . 62.3 m -144.17 21.25 1.74 Allowed 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 179.448 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' K' K ' 10' ' ' ILE . . . . . 0.957 HG13 HG12 ' H' ' 2' ' ' VAL . 55.9 mt 70.77 140.62 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 CA-C-O 121.247 0.546 . . . . 0.0 112.294 178.278 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' K' K ' 11' ' ' CYS . . . . . . . . . . . . . 94.9 m -105.31 150.32 25.28 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.643 178.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' K' K ' 12' ' ' SER . . . . . . . . . . . . . 33.3 t -77.68 157.78 29.99 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 178.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' K' K ' 13' ' ' LEU . . . . . 0.471 HD21 HD21 ' E' ' 13' ' ' LEU . 58.2 tp -52.63 -46.77 67.23 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.932 0.396 . . . . 0.0 111.312 -179.811 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -64.15 -31.97 73.37 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.582 -179.5 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' K' K ' 15' ' ' GLN . . . . . 0.506 ' O ' ' HB3' ' K' ' 18' ' ' ASN . 87.3 mt-30 -71.65 -36.46 70.71 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.943 0.401 . . . . 0.0 110.048 179.054 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' K' K ' 16' ' ' LEU . . . . . . . . . . . . . 87.8 mt -69.71 -39.4 76.88 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.734 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' K' K ' 17' ' ' GLU . . . . . 0.451 ' HG3' ' O ' ' K' ' 13' ' ' LEU . 40.9 mt-10 -61.95 -27.59 68.94 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 121.098 0.475 . . . . 0.0 110.415 179.19 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' K' K ' 18' ' ' ASN . . . . . 0.506 ' HB3' ' O ' ' K' ' 15' ' ' GLN . 9.5 t30 -60.36 -28.62 68.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.404 -0.817 . . . . 0.0 110.674 179.546 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' K' K ' 19' ' ' TYR . . . . . 0.438 ' CE1' ' HB ' ' K' ' 2' ' ' ILE . 83.0 m-85 -94.9 -86.39 0.29 Allowed 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 178.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' K' K ' 20' ' ' CYS . . . . . . . . . . . . . 16.2 t 54.32 -113.35 0.78 Allowed 'General case' 0 CA--C 1.533 0.321 0 O-C-N 123.764 0.665 . . . . 0.0 110.496 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' K' K ' 21' ' ' ASN . . . . . 0.617 ' HB2' ' HA ' ' L' ' 24' ' ' PHE . 15.0 t30 . . . . . 0 C--O 1.244 0.801 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 179.159 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' L' L ' 1' ' ' PHE . . . . . . . . . . . . . 2.2 p90 . . . . . 0 N--CA 1.48 1.065 0 CA-C-O 121.376 0.608 . . . . 0.0 111.248 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' L' L ' 2' ' ' VAL . . . . . 0.936 HG12 HG13 ' C' ' 10' ' ' ILE . 15.8 m -131.22 95.8 2.45 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 CA-C-O 121.775 0.798 . . . . 0.0 110.459 179.529 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' L' L ' 3' ' ' ASN . . . . . 0.55 ' O ' ' HB3' ' L' ' 7' ' ' CYS . 41.9 t30 -155.41 -52.22 0.09 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.088 -179.634 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' L' L ' 4' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -58.88 -38.71 79.46 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.222 179.173 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' L' L ' 5' ' ' HIS . . . . . 0.716 ' HA ' ' HE1' ' J' ' 16' ' ' TYR . 7.8 t60 -77.39 -27.28 52.41 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.589 -179.428 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' L' L ' 6' ' ' LEU . . . . . 0.633 HD13 ' HB2' ' D' ' 7' ' ' CYS . 35.0 mt -89.2 -59.49 2.2 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.762 0.791 . . . . 0.0 110.627 -178.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' L' L ' 7' ' ' CYS . . . . . 0.622 ' HB2' HD13 ' H' ' 6' ' ' LEU . 0.0 OUTLIER -62.92 -48.16 80.12 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 114.533 -1.212 . . . . 0.0 110.874 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' L' L ' 8' ' ' GLY . . . . . 0.706 ' HA2' ' HG ' ' L' ' 11' ' ' LEU . . . -59.33 -30.19 67.38 Favored Glycine 0 C--N 1.331 0.283 0 C-N-CA 120.936 -0.649 . . . . 0.0 112.748 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' L' L ' 9' ' ' SER . . . . . 0.472 ' OG ' ' HG3' ' J' ' 13' ' ' GLU . 0.3 OUTLIER -69.31 -9.86 55.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.977 0.417 . . . . 0.0 110.686 179.584 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' L' L ' 10' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -118.17 -9.1 10.55 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.177 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' L' L ' 11' ' ' LEU . . . . . 0.706 ' HG ' ' HA2' ' L' ' 8' ' ' GLY . 36.3 mt -69.4 -30.16 68.06 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 107.041 -1.466 . . . . 0.0 107.041 177.129 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' L' L ' 12' ' ' VAL . . . . . 0.631 ' HB ' ' CZ ' ' L' ' 24' ' ' PHE . 11.0 m -68.51 -32.58 55.91 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.388 0 CA-C-N 114.484 -1.234 . . . . 0.0 109.815 177.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' L' L ' 13' ' ' GLU . . . . . 0.474 ' HG3' ' OG ' ' J' ' 9' ' ' SER . 30.1 tt0 -64.35 -33.86 76.82 Favored 'General case' 0 C--O 1.232 0.154 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 179.094 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' L' L ' 14' ' ' ALA . . . . . 0.426 ' O ' HG23 ' L' ' 18' ' ' VAL . . . -72.34 -49.23 35.84 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.642 177.8 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' L' L ' 15' ' ' LEU . . . . . . . . . . . . . 96.4 mt -58.67 -36.26 73.88 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.925 178.718 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' L' L ' 16' ' ' TYR . . . . . 0.73 ' HE1' ' HA ' ' J' ' 5' ' ' HIS . 2.1 t80 -55.98 -41.19 74.39 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.766 -1.107 . . . . 0.0 110.298 179.645 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' L' L ' 17' ' ' LEU . . . . . 0.409 ' HG ' ' CB ' ' F' ' 14' ' ' ALA . 4.0 mm? -73.09 -43.92 61.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.594 179.091 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' L' L ' 18' ' ' VAL . . . . . 0.426 HG23 ' O ' ' L' ' 14' ' ' ALA . 55.5 t -60.32 -48.01 89.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.257 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' L' L ' 19' ' ' CYS . . . . . 0.489 ' HB3' ' HB3' ' L' ' 22' ' ' ARG . 77.6 m -79.43 -32.06 42.73 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.712 -179.365 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' L' L ' 20' ' ' GLY . . . . . 0.404 ' HA2' ' HE1' ' J' ' 5' ' ' HIS . . . 74.98 -135.12 18.34 Favored Glycine 0 N--CA 1.45 -0.432 0 N-CA-C 110.62 -0.992 . . . . 0.0 110.62 -178.717 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' L' L ' 21' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -87.7 56.4 3.89 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 178.148 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' L' L ' 22' ' ' ARG . . . . . 0.489 ' HB3' ' HB3' ' L' ' 19' ' ' CYS . 32.4 ttt180 -118.46 -49.24 2.47 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.995 -1.002 . . . . 0.0 110.234 -178.651 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' L' L ' 23' ' ' GLY . . . . . 0.918 ' HA2' ' HD2' ' J' ' 28' ' ' PRO . . . 112.12 179.18 19.87 Favored Glycine 0 N--CA 1.443 -0.859 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.289 -179.041 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' L' L ' 24' ' ' PHE . . . . . 0.631 ' CZ ' ' HB ' ' L' ' 12' ' ' VAL . 1.6 p90 -167.08 164.64 15.84 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-O 121.012 0.434 . . . . 0.0 111.047 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' L' L ' 25' ' ' PHE . . . . . 0.401 ' CE1' ' HA ' ' K' ' 21' ' ' ASN . 12.8 p90 -121.87 128.82 52.04 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 177.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' L' L ' 26' ' ' TYR . . . . . 0.479 ' CD2' ' HD3' ' L' ' 28' ' ' PRO . 25.3 t80 -131.6 121.31 24.16 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.526 -0.307 . . . . 0.0 110.267 -178.309 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' L' L ' 27' ' ' THR . . . . . 0.447 ' HA ' ' HA3' ' J' ' 23' ' ' GLY . 1.6 p -126.79 78.48 73.28 Favored Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -178.472 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' L' L ' 28' ' ' PRO . . . . . 0.899 ' HD2' ' HA2' ' J' ' 23' ' ' GLY . 83.1 Cg_endo -81.09 135.54 9.82 Favored 'Trans proline' 0 N--CA 1.459 -0.525 0 C-N-CA 122.612 2.208 . . . . 0.0 110.147 177.614 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' L' L ' 29' ' ' LYS . . . . . . . . . . . . . 88.0 tttt . . . . . 0 C--N 1.323 -0.545 0 C-N-CA 120.198 -0.601 . . . . 0.0 112.378 -178.871 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' GLY . . . . . 0.456 ' HA3' ' O ' ' B' ' 29' ' ' LYS . . . . . . . . 0 N--CA 1.486 1.992 0 N-CA-C 112.739 -0.145 . . . . 0.0 112.739 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 5.1 tt -49.82 -43.21 19.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.579 HG11 ' HG3' ' B' ' 4' ' ' GLN . 21.8 t -53.03 -55.17 13.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.704 -179.475 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -62.05 -42.37 99.11 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.689 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -57.14 -42.5 81.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.304 0.574 . . . . 0.0 111.104 179.143 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.422 ' HB2' HD13 ' B' ' 11' ' ' LEU . 82.6 m -88.63 2.35 53.33 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.366 -179.229 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 9.9 t -112.82 -20.03 11.77 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.811 0.338 . . . . 0.0 111.257 -179.6 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.6 t -75.93 -23.18 55.45 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.638 -179.146 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.1 t -163.01 12.69 0.06 Allowed 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.967 -0.293 . . . . 0.0 111.24 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.413 ' HA ' ' O ' ' A' ' 6' ' ' CYS . 2.4 mp 65.14 118.47 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 CA-C-O 121.417 0.627 . . . . 0.0 111.191 -179.736 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 64.2 m -71.59 141.79 50.02 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.672 179.46 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.0 t -80.64 166.38 21.14 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 177.655 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.6 mp -61.01 -33.34 73.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.119 0.485 . . . . 0.0 110.102 179.449 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -68.33 -18.42 64.49 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.156 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -94.13 -40.16 10.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.925 0.393 . . . . 0.0 110.39 179.051 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 83.3 mt -66.08 -31.84 72.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.615 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.21 -30.32 64.47 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.356 179.573 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -61.41 -23.49 65.85 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.104 179.354 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -109.16 8.78 26.07 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.701 -177.74 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.9 t -78.61 151.93 32.08 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.762 0.315 . . . . 0.0 110.92 -179.671 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.351 -0.833 . . . . 0.0 110.674 -179.517 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 1' ' ' PHE . . . . . 0.403 ' O ' ' HB3' ' B' ' 4' ' ' GLN . 53.2 t80 . . . . . 0 N--CA 1.478 0.952 0 N-CA-C 111.64 0.237 . . . . 0.0 111.64 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 2' ' ' VAL . . . . . 0.49 ' O ' ' HG ' ' B' ' 6' ' ' LEU . 16.9 m -72.87 -39.6 59.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 120.451 -0.5 . . . . 0.0 111.519 -178.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 3' ' ' ASN . . . . . 0.56 ' O ' ' HB3' ' B' ' 7' ' ' CYS . 30.6 m-20 -72.95 -4.76 34.17 Favored 'General case' 0 C--O 1.219 -0.545 0 CA-C-O 121.337 0.589 . . . . 0.0 109.983 178.75 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 4' ' ' GLN . . . . . 0.579 ' HG3' HG11 ' A' ' 3' ' ' VAL . 27.9 tt0 -71.57 -17.33 62.31 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 177.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 5' ' ' HIS . . . . . 0.45 ' HA ' ' HE2' ' D' ' 16' ' ' TYR . 52.9 t-80 -113.83 -2.27 13.69 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.989 178.863 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' B' ' 2' ' ' VAL . 7.6 mt -114.08 -40.32 3.73 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.421 0.629 . . . . 0.0 110.017 -179.378 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 7' ' ' CYS . . . . . 0.56 ' HB3' ' O ' ' B' ' 3' ' ' ASN . 0.5 OUTLIER -88.02 -33.33 18.4 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 177.683 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -61.81 -26.66 67.3 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.517 -0.765 . . . . 0.0 112.645 178.761 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.89 10.03 3.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.868 0.366 . . . . 0.0 111.693 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 38.8 m-70 -113.56 -39.42 4.07 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.417 0.627 . . . . 0.0 109.319 178.135 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.422 HD13 ' HB2' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -64.72 -25.24 67.85 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.076 179.177 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 5.9 m -60.87 -49.33 85.06 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -179.425 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.86 ' HA ' ' HE1' ' B' ' 16' ' ' TYR . 64.4 tt0 -66.35 -33.66 76.22 Favored 'General case' 0 CA--C 1.52 -0.178 0 C-N-CA 120.424 -0.51 . . . . 0.0 110.448 -179.428 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.11 -39.81 78.73 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 179.109 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 11.9 mt -57.46 -54.9 41.57 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.965 -0.561 . . . . 0.0 112.236 -179.574 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 16' ' ' TYR . . . . . 0.934 ' HB2' ' HG3' ' D' ' 28' ' ' PRO . 3.8 p90 -79.64 3.35 19.34 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 119.68 -0.808 . . . . 0.0 111.154 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.575 ' HB2' ' O ' ' B' ' 13' ' ' GLU . 5.3 tt -88.32 -44.6 10.68 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 177.581 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 90.5 t -64.85 -40.63 89.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.732 178.688 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 19' ' ' CYS . . . . . 0.817 ' HB3' ' HB2' ' B' ' 22' ' ' ARG . 97.1 m -77.8 -21.52 51.5 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.039 179.607 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 70.24 -100.56 0.8 Allowed Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.235 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -98.21 -0.69 43.67 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.437 0.637 . . . . 0.0 109.767 179.277 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 22' ' ' ARG . . . . . 0.817 ' HB2' ' HB3' ' B' ' 19' ' ' CYS . 43.5 mtp85 -86.07 151.48 23.66 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.365 178.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 23' ' ' GLY . . . . . 0.744 ' HA2' ' HD2' ' D' ' 28' ' ' PRO . . . -89.57 -167.39 42.53 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.328 -0.939 . . . . 0.0 112.438 -179.777 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 24' ' ' PHE . . . . . 0.746 ' CE1' ' HB3' ' B' ' 16' ' ' TYR . 18.7 p90 -168.16 170.65 10.07 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-O 121.23 0.538 . . . . 0.0 110.939 179.778 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 25' ' ' PHE . . . . . 0.547 ' HD1' ' HD1' ' D' ' 25' ' ' PHE . 40.1 m-85 -109.92 135.0 51.47 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.185 179.382 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 21.2 t80 -132.77 122.27 24.27 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.464 -179.639 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 27' ' ' THR . . . . . 0.561 HG22 ' HA3' ' D' ' 23' ' ' GLY . 1.7 p -128.83 99.36 22.69 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.5 -179.438 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 28' ' ' PRO . . . . . 0.927 ' HG3' ' HB2' ' D' ' 16' ' ' TYR . 96.5 Cg_endo -78.9 50.94 3.64 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.995 2.463 . . . . 0.0 112.241 179.537 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.456 ' O ' ' HA3' ' A' ' 1' ' ' GLY . 20.7 ptmt -109.36 157.95 18.39 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.771 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 25.8 m . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.628 -0.701 . . . . 0.0 110.317 -179.878 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' C' C ' 1' ' ' GLY . . . . . 0.449 ' HA3' ' O ' ' D' ' 29' ' ' LYS . . . . . . . . 0 N--CA 1.488 2.107 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 5.0 tt -49.92 -42.54 18.89 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 N-CA-C 112.789 0.663 . . . . 0.0 112.789 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 3' ' ' VAL . . . . . 0.57 HG11 ' HG3' ' D' ' 4' ' ' GLN . 21.8 t -53.46 -55.64 12.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -179.558 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -61.74 -42.02 98.43 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.847 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -57.76 -41.09 81.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.065 179.139 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 6' ' ' CYS . . . . . 0.42 ' HB2' HD13 ' D' ' 11' ' ' LEU . 80.5 m -89.96 2.01 55.61 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -179.19 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 7' ' ' CYS . . . . . . . . . . . . . 9.5 t -112.26 -19.48 12.21 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.906 0.384 . . . . 0.0 111.265 -179.552 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 12.4 t -75.53 -25.77 57.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.376 -179.118 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 27.1 t -160.68 12.1 0.1 Allowed 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 121.013 -0.275 . . . . 0.0 111.447 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 2.4 mp 66.09 117.68 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 CA-C-O 121.645 0.736 . . . . 0.0 111.174 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 65.9 m -71.08 141.0 50.85 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.566 179.645 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 34.1 t -80.58 165.87 21.66 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 177.665 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 9.3 mp -60.39 -31.48 70.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.047 0.451 . . . . 0.0 110.523 179.432 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -70.89 -17.61 62.7 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.98 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -94.88 -39.03 10.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.902 0.382 . . . . 0.0 110.358 179.112 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 88.5 mt -67.33 -31.17 71.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.087 0.47 . . . . 0.0 110.472 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.86 -30.03 65.47 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.341 179.671 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -61.64 -24.61 66.84 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.949 179.588 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -107.88 8.62 28.68 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.819 -177.814 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 8.1 t -79.46 149.59 31.51 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.755 -179.62 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 . . . . . 0 C--O 1.252 1.187 0 CA-C-O 118.287 -0.863 . . . . 0.0 110.424 -179.794 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 53.0 t80 . . . . . 0 N--CA 1.48 1.038 0 N-CA-C 111.641 0.237 . . . . 0.0 111.641 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' D' D ' 2' ' ' VAL . . . . . 0.512 ' O ' ' HG ' ' D' ' 6' ' ' LEU . 15.1 m -74.14 -39.48 50.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 120.37 -0.532 . . . . 0.0 111.326 -179.122 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 3' ' ' ASN . . . . . 0.557 ' O ' ' HB3' ' D' ' 7' ' ' CYS . 23.9 m-20 -72.41 -4.48 30.42 Favored 'General case' 0 C--O 1.217 -0.632 0 CA-C-O 121.351 0.596 . . . . 0.0 110.064 178.388 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 4' ' ' GLN . . . . . 0.57 ' HG3' HG11 ' C' ' 3' ' ' VAL . 29.6 tt0 -72.41 -17.41 61.8 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 178.103 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 5' ' ' HIS . . . . . 0.45 ' HA ' ' HE2' ' B' ' 16' ' ' TYR . 52.4 t-80 -113.72 -2.38 13.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.984 178.787 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 6' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' D' ' 2' ' ' VAL . 7.6 mt -113.89 -39.72 3.91 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.419 0.628 . . . . 0.0 110.015 -179.3 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 7' ' ' CYS . . . . . 0.557 ' HB3' ' O ' ' D' ' 3' ' ' ASN . 0.3 OUTLIER -88.95 -33.1 17.35 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 177.924 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' D' D ' 8' ' ' GLY . . . . . . . . . . . . . . . -61.92 -26.42 67.18 Favored Glycine 0 N--CA 1.449 -0.45 0 CA-C-N 115.555 -0.748 . . . . 0.0 112.594 178.612 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.4 10.71 2.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.936 0.398 . . . . 0.0 111.748 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 10' ' ' HIS . . . . . . . . . . . . . 37.4 m-70 -114.16 -39.33 3.92 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 178.164 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 11' ' ' LEU . . . . . 0.443 ' H ' ' HG ' ' D' ' 11' ' ' LEU . 0.1 OUTLIER -64.84 -25.56 67.95 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.922 179.286 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 6.2 m -60.54 -49.18 85.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 112.978 0.732 . . . . 0.0 112.978 -179.435 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 13' ' ' GLU . . . . . 0.868 ' HA ' ' HE1' ' D' ' 16' ' ' TYR . 64.2 tt0 -66.58 -33.34 75.46 Favored 'General case' 0 CA--C 1.52 -0.182 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.357 -179.289 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.52 -39.62 77.44 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.763 179.164 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 12.1 mt -57.62 -54.53 45.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.369 -179.645 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 16' ' ' TYR . . . . . 0.927 ' HB2' ' HG3' ' B' ' 28' ' ' PRO . 3.5 p90 -80.28 3.98 19.19 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 119.55 -0.86 . . . . 0.0 111.032 -179.728 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 17' ' ' LEU . . . . . 0.59 ' HB2' ' O ' ' D' ' 13' ' ' GLU . 5.3 tt -88.92 -44.96 10.06 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 177.666 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 87.9 t -64.79 -39.99 87.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.659 178.667 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 19' ' ' CYS . . . . . 0.821 ' HB3' ' HB2' ' D' ' 22' ' ' ARG . 93.8 m -78.35 -20.94 50.27 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.031 179.604 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.61 -100.77 0.77 Allowed Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 121.079 -0.581 . . . . 0.0 112.264 179.74 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -98.33 0.25 45.13 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.386 0.612 . . . . 0.0 109.886 179.361 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 22' ' ' ARG . . . . . 0.821 ' HB2' ' HB3' ' D' ' 19' ' ' CYS . 42.9 mtp85 -87.01 152.58 22.26 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.24 178.696 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 23' ' ' GLY . . . . . 0.74 ' HA2' ' HD2' ' B' ' 28' ' ' PRO . . . -90.53 -167.87 42.02 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.526 -0.845 . . . . 0.0 112.294 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 24' ' ' PHE . . . . . 0.741 ' CE1' ' HB3' ' D' ' 16' ' ' TYR . 16.8 p90 -167.79 170.67 10.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.273 0.558 . . . . 0.0 110.759 179.749 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 25' ' ' PHE . . . . . 0.547 ' HD1' ' HD1' ' B' ' 25' ' ' PHE . 40.0 m-85 -109.36 136.7 48.36 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.161 -0.927 . . . . 0.0 108.994 179.153 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 26' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -134.61 120.26 19.37 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.624 -179.638 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 27' ' ' THR . . . . . 0.609 HG22 ' HA3' ' B' ' 23' ' ' GLY . 3.0 p -126.76 100.13 28.52 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-O 120.941 0.401 . . . . 0.0 111.755 -179.767 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 28' ' ' PRO . . . . . 0.934 ' HG3' ' HB2' ' B' ' 16' ' ' TYR . 94.2 Cg_endo -78.93 50.71 3.56 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.897 2.398 . . . . 0.0 112.07 179.556 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 29' ' ' LYS . . . . . 0.449 ' O ' ' HA3' ' C' ' 1' ' ' GLY . 20.3 ptmt -109.15 157.11 19.08 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.101 179.751 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 24.8 m . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.562 -0.733 . . . . 0.0 110.142 -179.828 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' E' E ' 1' ' ' GLY . . . . . 0.402 ' HA3' ' O ' ' F' ' 29' ' ' LYS . . . . . . . . 0 N--CA 1.489 2.182 0 N-CA-C 112.727 -0.149 . . . . 0.0 112.727 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 2' ' ' ILE . . . . . . . . . . . . . 4.9 tt -50.38 -42.48 21.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 3' ' ' VAL . . . . . 0.581 HG11 ' HG3' ' F' ' 4' ' ' GLN . 21.8 t -53.54 -54.87 16.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 111.743 0.275 . . . . 0.0 111.743 -179.645 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' E' E ' 4' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -62.35 -42.33 99.31 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.722 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -56.94 -42.7 80.55 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.402 0.62 . . . . 0.0 110.998 179.218 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 6' ' ' CYS . . . . . 0.414 ' HB2' HD13 ' F' ' 11' ' ' LEU . 86.5 m -88.63 2.31 53.41 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.052 -0.522 . . . . 0.0 112.333 -179.016 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' E' E ' 7' ' ' CYS . . . . . . . . . . . . . 9.3 t -112.04 -20.96 11.77 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.86 0.362 . . . . 0.0 111.188 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 8.9 t -74.6 -24.49 58.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.697 -179.137 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 9' ' ' SER . . . . . . . . . . . . . 22.8 t -161.06 10.09 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 121.074 -0.25 . . . . 0.0 111.449 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 10' ' ' ILE . . . . . . . . . . . . . 2.4 mp 67.84 119.11 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 CA-C-O 121.36 0.6 . . . . 0.0 110.893 -179.605 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 11' ' ' CYS . . . . . . . . . . . . . 61.9 m -72.92 140.33 47.4 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.434 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 12' ' ' SER . . . . . . . . . . . . . 34.7 t -79.58 165.61 22.76 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 177.718 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 9.5 mp -60.18 -32.63 71.25 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.084 0.469 . . . . 0.0 110.448 179.657 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -69.61 -16.54 63.41 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.483 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -96.02 -38.78 10.07 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.857 0.361 . . . . 0.0 110.206 179.167 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 16' ' ' LEU . . . . . . . . . . . . . 85.8 mt -67.6 -31.17 71.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.466 179.732 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.86 -29.43 64.99 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.482 179.608 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' E' E ' 18' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -61.71 -26.51 68.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.896 179.518 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 19' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -106.31 9.24 32.01 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.949 -177.636 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 20' ' ' CYS . . . . . . . . . . . . . 8.1 t -79.22 151.81 30.99 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.832 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 21' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.301 -0.857 . . . . 0.0 110.517 -179.732 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' F' F ' 1' ' ' PHE . . . . . 0.422 ' O ' ' HB3' ' F' ' 4' ' ' GLN . 51.6 t80 . . . . . 0 N--CA 1.482 1.139 0 N-CA-C 111.607 0.225 . . . . 0.0 111.607 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 2' ' ' VAL . . . . . 0.503 ' O ' ' HG ' ' F' ' 6' ' ' LEU . 17.1 m -72.15 -40.52 66.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 120.664 -0.414 . . . . 0.0 111.438 -179.131 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' F' F ' 3' ' ' ASN . . . . . 0.553 ' O ' ' HB3' ' F' ' 7' ' ' CYS . 24.5 m-20 -71.52 -5.31 32.17 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-O 121.151 0.5 . . . . 0.0 110.026 178.52 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' F' F ' 4' ' ' GLN . . . . . 0.581 ' HG3' HG11 ' E' ' 3' ' ' VAL . 28.4 tt0 -71.6 -17.71 62.26 Favored 'General case' 0 C--N 1.315 -0.911 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 178.138 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' F' F ' 5' ' ' HIS . . . . . 0.445 ' HA ' ' HE2' ' H' ' 16' ' ' TYR . 52.5 t-80 -113.31 -2.44 14.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.082 178.759 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' F' F ' 6' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' F' ' 2' ' ' VAL . 7.8 mt -113.89 -41.0 3.63 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.398 0.618 . . . . 0.0 109.962 -179.365 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' F' F ' 7' ' ' CYS . . . . . 0.553 ' HB3' ' O ' ' F' ' 3' ' ' ASN . 0.4 OUTLIER -87.21 -33.53 19.3 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.262 -0.881 . . . . 0.0 108.725 177.643 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' F' F ' 8' ' ' GLY . . . . . . . . . . . . . . . -61.95 -26.29 67.07 Favored Glycine 0 N--CA 1.45 -0.421 0 CA-C-N 115.468 -0.787 . . . . 0.0 112.77 178.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.43 10.36 3.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.066 0.46 . . . . 0.0 111.663 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' F' F ' 10' ' ' HIS . . . . . . . . . . . . . 37.7 m-70 -113.74 -39.67 3.96 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 178.091 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 11' ' ' LEU . . . . . 0.424 ' H ' ' HG ' ' F' ' 11' ' ' LEU . 0.1 OUTLIER -64.45 -25.44 68.01 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.979 179.257 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 5.7 m -60.69 -49.3 85.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -179.244 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 13' ' ' GLU . . . . . 0.862 ' HA ' ' HE1' ' F' ' 16' ' ' TYR . 65.0 tt0 -66.2 -34.01 77.05 Favored 'General case' 0 CA--C 1.522 -0.117 0 C-N-CA 120.661 -0.415 . . . . 0.0 110.509 -179.453 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' F' F ' 14' ' ' ALA . . . . . 0.401 ' O ' HG23 ' F' ' 18' ' ' VAL . . . -68.82 -39.98 79.73 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.926 179.006 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' F' F ' 15' ' ' LEU . . . . . . . . . . . . . 12.0 mt -57.41 -54.87 41.88 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.996 -0.547 . . . . 0.0 112.196 -179.664 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 16' ' ' TYR . . . . . 0.926 ' HB2' ' HG3' ' H' ' 28' ' ' PRO . 3.5 p90 -79.76 3.62 18.89 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 119.669 -0.812 . . . . 0.0 111.335 -179.695 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' F' F ' 17' ' ' LEU . . . . . 0.579 ' HB2' ' O ' ' F' ' 13' ' ' GLU . 5.3 tt -88.58 -45.41 9.91 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 107.784 -1.191 . . . . 0.0 107.784 177.483 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' F' F ' 18' ' ' VAL . . . . . 0.401 HG23 ' O ' ' F' ' 14' ' ' ALA . 93.4 t -64.3 -40.57 89.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.115 -0.948 . . . . 0.0 109.725 178.578 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' F' F ' 19' ' ' CYS . . . . . 0.841 ' HB3' ' HB2' ' F' ' 22' ' ' ARG . 91.8 m -77.95 -20.7 52.26 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.659 -0.701 . . . . 0.0 111.002 179.508 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' F' F ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.15 -102.53 0.94 Allowed Glycine 0 N--CA 1.453 -0.208 0 C-N-CA 120.909 -0.663 . . . . 0.0 111.96 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 21' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -96.25 -0.93 49.08 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.167 0.508 . . . . 0.0 109.987 179.401 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 22' ' ' ARG . . . . . 0.841 ' HB2' ' HB3' ' F' ' 19' ' ' CYS . 43.5 mtp85 -85.76 152.64 22.88 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.513 178.804 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' F' F ' 23' ' ' GLY . . . . . 0.729 ' HA2' ' HD2' ' H' ' 28' ' ' PRO . . . -90.57 -167.49 41.74 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.336 -0.935 . . . . 0.0 112.394 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' F' F ' 24' ' ' PHE . . . . . 0.736 ' CE1' ' HB3' ' F' ' 16' ' ' TYR . 17.7 p90 -168.07 171.25 9.74 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-O 121.236 0.541 . . . . 0.0 110.917 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' F' F ' 25' ' ' PHE . . . . . 0.553 ' HD1' ' HD1' ' H' ' 25' ' ' PHE . 40.4 m-85 -110.32 135.71 50.63 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.239 -0.891 . . . . 0.0 109.189 179.338 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' F' F ' 26' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -133.1 121.76 23.11 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.52 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 27' ' ' THR . . . . . 0.572 HG22 ' HA3' ' H' ' 23' ' ' GLY . 1.6 p -128.32 99.81 23.82 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.497 -179.596 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' F' F ' 28' ' ' PRO . . . . . 0.901 ' HG3' ' HB2' ' H' ' 16' ' ' TYR . 94.0 Cg_endo -79.2 50.34 3.46 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.97 2.447 . . . . 0.0 112.199 179.601 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' F' F ' 29' ' ' LYS . . . . . 0.402 ' O ' ' HA3' ' E' ' 1' ' ' GLY . 20.3 ptmt -107.91 159.68 16.34 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.907 179.455 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' F' F ' 30' ' ' THR . . . . . . . . . . . . . 31.8 m . . . . . 0 C--O 1.247 0.969 0 CA-C-O 118.464 -0.779 . . . . 0.0 110.242 -179.863 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' G' G ' 1' ' ' GLY . . . . . 0.463 ' HA3' ' O ' ' H' ' 29' ' ' LYS . . . . . . . . 0 N--CA 1.487 2.098 0 CA-C-O 120.81 0.117 . . . . 0.0 112.914 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' G' G ' 2' ' ' ILE . . . . . . . . . . . . . 4.9 tt -51.47 -42.79 29.53 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' G' G ' 3' ' ' VAL . . . . . 0.598 HG11 ' HG3' ' H' ' 4' ' ' GLN . 22.1 t -53.34 -55.05 14.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 120.695 0.283 . . . . 0.0 111.687 -179.628 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' G' G ' 4' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -62.24 -42.27 99.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.659 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' G' G ' 5' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -57.24 -41.77 80.21 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.403 0.62 . . . . 0.0 111.042 179.332 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' G' G ' 6' ' ' CYS . . . . . 0.422 ' HB2' HD13 ' H' ' 11' ' ' LEU . 80.1 m -89.52 2.3 54.78 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.993 -0.548 . . . . 0.0 112.244 -178.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' G' G ' 7' ' ' CYS . . . . . . . . . . . . . 9.9 t -112.27 -20.16 11.95 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.875 0.369 . . . . 0.0 110.946 -179.613 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' G' G ' 8' ' ' THR . . . . . . . . . . . . . 10.3 t -75.88 -22.51 56.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.581 -0.282 . . . . 0.0 111.627 -179.048 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' G' G ' 9' ' ' SER . . . . . . . . . . . . . 18.2 t -163.69 11.6 0.05 Allowed 'General case' 0 C--N 1.328 -0.335 0 O-C-N 122.244 -0.285 . . . . 0.0 111.231 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' G' G ' 10' ' ' ILE . . . . . . . . . . . . . 2.4 mp 66.18 117.82 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 CA-C-O 121.378 0.608 . . . . 0.0 111.234 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' G' G ' 11' ' ' CYS . . . . . . . . . . . . . 65.4 m -71.09 141.78 50.83 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.44 179.519 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' G' G ' 12' ' ' SER . . . . . . . . . . . . . 48.1 t -81.53 165.8 20.84 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 177.626 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' G' G ' 13' ' ' LEU . . . . . . . . . . . . . 9.3 mp -59.65 -32.55 70.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.103 0.478 . . . . 0.0 110.485 179.504 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -70.06 -16.58 63.16 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.527 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -96.05 -39.31 9.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.944 0.402 . . . . 0.0 110.193 179.133 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' G' G ' 16' ' ' LEU . . . . . . . . . . . . . 85.7 mt -66.96 -30.7 70.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.504 179.71 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' G' G ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.18 -30.43 66.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.394 179.663 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' G' G ' 18' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -61.02 -25.04 66.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.672 -0.695 . . . . 0.0 112.025 179.38 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' G' G ' 19' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -107.56 8.68 29.39 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.931 -177.809 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' G' G ' 20' ' ' CYS . . . . . . . . . . . . . 8.1 t -79.03 150.03 32.02 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.702 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' G' G ' 21' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 . . . . . 0 C--O 1.246 0.896 0 CA-C-O 118.245 -0.883 . . . . 0.0 109.962 179.99 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' H' H ' 1' ' ' PHE . . . . . 0.41 ' O ' ' HB3' ' H' ' 4' ' ' GLN . 53.0 t80 . . . . . 0 N--CA 1.479 1.0 0 CA-C-O 120.474 0.178 . . . . 0.0 111.156 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' H' H ' 2' ' ' VAL . . . . . 0.507 ' O ' ' HG ' ' H' ' 6' ' ' LEU . 16.5 m -73.37 -39.56 55.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 C-N-CA 120.472 -0.491 . . . . 0.0 111.337 -179.258 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' H' H ' 3' ' ' ASN . . . . . 0.56 ' O ' ' HB3' ' H' ' 7' ' ' CYS . 28.3 m-20 -72.34 -5.43 36.23 Favored 'General case' 0 C--O 1.217 -0.652 0 CA-C-O 121.249 0.547 . . . . 0.0 109.995 178.448 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' H' H ' 4' ' ' GLN . . . . . 0.598 ' HG3' HG11 ' G' ' 3' ' ' VAL . 28.4 tt0 -71.59 -17.98 62.26 Favored 'General case' 0 C--N 1.313 -0.992 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 178.212 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' H' H ' 5' ' ' HIS . . . . . 0.427 ' HA ' ' HE2' ' F' ' 16' ' ' TYR . 52.4 t-80 -112.8 -3.01 14.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.049 178.856 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' H' H ' 6' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' H' ' 2' ' ' VAL . 7.6 mt -113.51 -40.27 3.88 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.519 0.676 . . . . 0.0 109.963 -179.22 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' H' H ' 7' ' ' CYS . . . . . 0.56 ' HB3' ' O ' ' H' ' 3' ' ' ASN . 0.4 OUTLIER -87.88 -33.5 18.51 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.218 -0.901 . . . . 0.0 108.587 177.907 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' H' H ' 8' ' ' GLY . . . . . . . . . . . . . . . -61.72 -26.82 67.36 Favored Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 115.284 -0.871 . . . . 0.0 112.74 178.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' H' H ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.97 10.07 3.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.982 0.42 . . . . 0.0 111.684 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' H' H ' 10' ' ' HIS . . . . . . . . . . . . . 36.9 m-70 -113.52 -39.72 4.01 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 178.193 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' H' H ' 11' ' ' LEU . . . . . 0.443 ' H ' ' HG ' ' H' ' 11' ' ' LEU . 0.1 OUTLIER -64.33 -25.69 68.15 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.074 -0.967 . . . . 0.0 110.055 179.27 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 6.1 m -60.49 -49.48 84.19 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -179.472 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' H' H ' 13' ' ' GLU . . . . . 0.867 ' HA ' ' HE1' ' H' ' 16' ' ' TYR . 64.3 tt0 -65.77 -34.44 78.18 Favored 'General case' 0 CA--C 1.522 -0.125 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.387 -179.466 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' H' H ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.63 -39.64 80.67 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.985 179.107 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' H' H ' 15' ' ' LEU . . . . . . . . . . . . . 12.0 mt -57.7 -54.6 45.09 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.076 -0.511 . . . . 0.0 112.311 -179.55 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' H' H ' 16' ' ' TYR . . . . . 0.901 ' HB2' ' HG3' ' F' ' 28' ' ' PRO . 3.6 p90 -79.98 3.48 19.95 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 119.647 -0.821 . . . . 0.0 111.163 -179.77 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' H' H ' 17' ' ' LEU . . . . . 0.579 ' HB2' ' O ' ' H' ' 13' ' ' GLU . 5.3 tt -88.38 -44.99 10.36 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 177.63 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 84.3 t -64.52 -41.08 91.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 114.99 -1.005 . . . . 0.0 109.613 178.756 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' H' H ' 19' ' ' CYS . . . . . 0.824 ' HB3' ' HB2' ' H' ' 22' ' ' ARG . 95.4 m -77.09 -22.39 52.85 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.071 179.614 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' H' H ' 20' ' ' GLY . . . . . . . . . . . . . . . 70.99 -101.36 0.94 Allowed Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.122 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' H' H ' 21' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -97.05 -1.84 44.53 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.277 0.56 . . . . 0.0 109.697 179.174 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' H' H ' 22' ' ' ARG . . . . . 0.824 ' HB2' ' HB3' ' H' ' 19' ' ' CYS . 46.2 mtp85 -84.7 152.15 23.94 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.267 -0.878 . . . . 0.0 109.618 178.772 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' H' H ' 23' ' ' GLY . . . . . 0.718 ' HA2' ' HD2' ' F' ' 28' ' ' PRO . . . -90.38 -167.53 41.93 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.512 -0.851 . . . . 0.0 112.312 -179.776 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' H' H ' 24' ' ' PHE . . . . . 0.75 ' CE1' ' HB3' ' H' ' 16' ' ' TYR . 18.3 p90 -168.16 171.21 9.64 Favored 'General case' 0 C--O 1.24 0.571 0 CA-C-O 121.175 0.512 . . . . 0.0 110.826 179.77 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' H' H ' 25' ' ' PHE . . . . . 0.553 ' HD1' ' HD1' ' F' ' 25' ' ' PHE . 40.3 m-85 -110.28 136.38 49.56 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.153 179.319 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' H' H ' 26' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -134.34 120.87 20.43 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.393 -0.523 . . . . 0.0 110.403 -179.44 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' H' H ' 27' ' ' THR . . . . . 0.571 HG22 ' HA3' ' F' ' 23' ' ' GLY . 1.9 p -127.14 99.42 28.35 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.492 -179.57 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' H' H ' 28' ' ' PRO . . . . . 0.926 ' HG3' ' HB2' ' F' ' 16' ' ' TYR . 94.1 Cg_endo -78.95 51.57 3.9 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.82 2.347 . . . . 0.0 111.93 179.547 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' H' H ' 29' ' ' LYS . . . . . 0.463 ' O ' ' HA3' ' G' ' 1' ' ' GLY . 20.5 ptmt -109.65 157.02 19.51 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.84 179.8 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' H' H ' 30' ' ' THR . . . . . . . . . . . . . 25.7 m . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.216 -0.897 . . . . 0.0 109.928 -179.73 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' I' I ' 1' ' ' GLY . . . . . 0.451 ' HA3' ' O ' ' J' ' 29' ' ' LYS . . . . . . . . 0 N--CA 1.488 2.12 0 N-CA-C 112.853 -0.099 . . . . 0.0 112.853 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' I' I ' 2' ' ' ILE . . . . . . . . . . . . . 5.2 tt -50.2 -42.36 20.02 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' I' I ' 3' ' ' VAL . . . . . 0.578 HG11 ' HG3' ' J' ' 4' ' ' GLN . 22.5 t -53.91 -55.25 14.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -179.473 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' I' I ' 4' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -62.15 -41.7 98.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.814 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' I' I ' 5' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -57.54 -42.49 83.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.426 0.631 . . . . 0.0 110.913 179.09 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' I' I ' 6' ' ' CYS . . . . . 0.432 ' HB2' HD13 ' J' ' 11' ' ' LEU . 82.1 m -88.38 1.35 54.86 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.876 -0.602 . . . . 0.0 112.256 -179.166 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' I' I ' 7' ' ' CYS . . . . . . . . . . . . . 9.7 t -112.42 -17.65 12.64 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.924 0.393 . . . . 0.0 111.356 -179.527 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' I' I ' 8' ' ' THR . . . . . . . . . . . . . 8.9 t -78.06 -23.4 48.1 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.273 -179.259 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' I' I ' 9' ' ' SER . . . . . . . . . . . . . 22.3 t -162.56 12.45 0.07 Allowed 'General case' 0 C--O 1.233 0.226 0 C-N-CA 121.05 -0.26 . . . . 0.0 111.135 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' I' I ' 10' ' ' ILE . . . . . 0.427 ' HA ' ' O ' ' I' ' 6' ' ' CYS . 2.4 mp 65.46 118.53 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 CA-C-O 121.5 0.667 . . . . 0.0 111.145 -179.622 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' I' I ' 11' ' ' CYS . . . . . . . . . . . . . 63.4 m -72.0 141.07 49.36 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.287 179.727 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' I' I ' 12' ' ' SER . . . . . . . . . . . . . 41.6 t -80.79 165.97 21.4 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 177.483 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' I' I ' 13' ' ' LEU . . . . . . . . . . . . . 9.4 mp -60.11 -31.16 69.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.145 0.498 . . . . 0.0 110.547 179.603 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -71.06 -17.92 62.58 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.031 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -94.91 -38.84 10.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.941 0.4 . . . . 0.0 110.335 179.097 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' I' I ' 16' ' ' LEU . . . . . . . . . . . . . 86.8 mt -67.41 -30.84 70.7 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.106 0.479 . . . . 0.0 110.494 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' I' I ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.23 -30.91 66.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.383 179.646 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' I' I ' 18' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -59.77 -26.17 65.49 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.011 179.284 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' I' I ' 19' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -106.61 8.51 31.24 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.955 -177.753 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' I' I ' 20' ' ' CYS . . . . . . . . . . . . . 8.1 t -78.93 150.45 32.09 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.742 -179.618 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' I' I ' 21' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 . . . . . 0 C--O 1.248 0.984 0 CA-C-O 118.178 -0.915 . . . . 0.0 110.696 -179.719 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' J' J ' 1' ' ' PHE . . . . . . . . . . . . . 53.2 t80 . . . . . 0 N--CA 1.48 1.056 0 CA-C-O 120.542 0.21 . . . . 0.0 111.54 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' J' J ' 2' ' ' VAL . . . . . 0.499 ' O ' ' HG ' ' J' ' 6' ' ' LEU . 16.8 m -73.98 -39.93 51.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 C-N-CA 120.335 -0.546 . . . . 0.0 111.272 -179.194 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' J' J ' 3' ' ' ASN . . . . . 0.557 ' O ' ' HB3' ' J' ' 7' ' ' CYS . 20.8 m-20 -72.22 -5.18 33.98 Favored 'General case' 0 C--O 1.217 -0.631 0 CA-C-O 121.273 0.559 . . . . 0.0 110.108 178.594 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' J' J ' 4' ' ' GLN . . . . . 0.578 ' HG3' HG11 ' I' ' 3' ' ' VAL . 28.5 tt0 -71.59 -17.61 62.28 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 177.843 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' J' J ' 5' ' ' HIS . . . . . 0.44 ' HA ' ' HE2' ' L' ' 16' ' ' TYR . 52.8 t-80 -113.28 -2.7 13.98 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.986 178.813 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' J' J ' 6' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' J' ' 2' ' ' VAL . 7.6 mt -113.84 -40.22 3.82 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.375 0.607 . . . . 0.0 109.986 -179.295 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' J' J ' 7' ' ' CYS . . . . . 0.557 ' HB3' ' O ' ' J' ' 3' ' ' ASN . 0.4 OUTLIER -88.31 -33.09 18.13 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 108.563 -0.902 . . . . 0.0 108.563 177.76 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' J' J ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.46 -25.88 67.48 Favored Glycine 0 C--N 1.333 0.396 0 CA-C-N 115.654 -0.703 . . . . 0.0 112.484 178.801 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' J' J ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.59 10.46 3.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.104 0.478 . . . . 0.0 111.646 179.757 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' J' J ' 10' ' ' HIS . . . . . . . . . . . . . 36.2 m-70 -113.78 -39.53 3.99 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 178.085 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' J' J ' 11' ' ' LEU . . . . . 0.458 ' H ' ' HG ' ' J' ' 11' ' ' LEU . 0.1 OUTLIER -64.44 -25.69 68.12 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.145 179.188 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 6.6 m -60.63 -49.08 85.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 -179.569 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' J' J ' 13' ' ' GLU . . . . . 0.861 ' HA ' ' HE1' ' J' ' 16' ' ' TYR . 63.4 tt0 -66.32 -34.01 77.02 Favored 'General case' 0 CA--C 1.521 -0.154 0 C-N-CA 120.475 -0.49 . . . . 0.0 110.209 -179.474 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' J' J ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.59 -40.41 80.51 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.048 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' J' J ' 15' ' ' LEU . . . . . . . . . . . . . 11.9 mt -57.18 -54.96 40.8 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.376 -179.55 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' J' J ' 16' ' ' TYR . . . . . 0.93 ' HB2' ' HG3' ' L' ' 28' ' ' PRO . 3.5 p90 -79.57 3.14 19.79 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 119.479 -0.889 . . . . 0.0 111.152 -179.745 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' J' J ' 17' ' ' LEU . . . . . 0.57 ' HB2' ' O ' ' J' ' 13' ' ' GLU . 5.3 tt -87.78 -45.19 10.54 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 177.594 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 89.9 t -64.5 -40.16 88.08 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-N 115.129 -0.941 . . . . 0.0 109.852 178.593 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' J' J ' 19' ' ' CYS . . . . . 0.829 ' HB3' ' HB2' ' J' ' 22' ' ' ARG . 93.8 m -78.24 -20.63 51.34 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.138 179.555 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' J' J ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.61 -101.52 0.78 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 121.248 -0.501 . . . . 0.0 112.059 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' J' J ' 21' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -97.03 1.05 49.7 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.16 0.505 . . . . 0.0 110.068 179.465 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' J' J ' 22' ' ' ARG . . . . . 0.829 ' HB2' ' HB3' ' J' ' 19' ' ' CYS . 41.7 mtp85 -88.65 150.4 23.04 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.469 179.081 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' J' J ' 23' ' ' GLY . . . . . 0.742 ' HA2' ' HD2' ' L' ' 28' ' ' PRO . . . -87.78 -168.53 44.57 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.465 -179.66 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' J' J ' 24' ' ' PHE . . . . . 0.753 ' CE1' ' HB3' ' J' ' 16' ' ' TYR . 17.7 p90 -167.78 170.51 10.76 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-O 121.21 0.529 . . . . 0.0 110.875 179.652 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' J' J ' 25' ' ' PHE . . . . . 0.543 ' HD1' ' HD1' ' L' ' 25' ' ' PHE . 39.2 m-85 -109.45 136.1 49.4 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.283 179.318 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' J' J ' 26' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -133.49 121.28 21.95 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.508 -179.509 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' J' J ' 27' ' ' THR . . . . . 0.583 HG22 ' HA3' ' L' ' 23' ' ' GLY . 1.8 p -128.11 99.33 25.2 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.388 -179.63 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' J' J ' 28' ' ' PRO . . . . . 0.92 ' HG3' ' HB2' ' L' ' 16' ' ' TYR . 95.7 Cg_endo -78.6 51.04 3.61 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 123.04 2.493 . . . . 0.0 111.975 179.479 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' J' J ' 29' ' ' LYS . . . . . 0.451 ' O ' ' HA3' ' I' ' 1' ' ' GLY . 20.2 ptmt -109.77 155.94 20.95 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.951 179.775 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' J' J ' 30' ' ' THR . . . . . . . . . . . . . 23.7 m . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.367 -0.825 . . . . 0.0 110.147 -179.788 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' K' K ' 1' ' ' GLY . . . . . 0.435 ' HA3' ' O ' ' L' ' 29' ' ' LYS . . . . . . . . 0 N--CA 1.488 2.125 0 CA-C-O 120.866 0.148 . . . . 0.0 112.734 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' K' K ' 2' ' ' ILE . . . . . . . . . . . . . 5.0 tt -50.59 -42.74 22.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 N-CA-C 112.505 0.558 . . . . 0.0 112.505 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' K' K ' 3' ' ' VAL . . . . . 0.574 HG11 ' HG3' ' L' ' 4' ' ' GLN . 22.0 t -53.5 -55.49 12.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 120.704 0.288 . . . . 0.0 111.613 -179.567 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' K' K ' 4' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -62.21 -41.79 98.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.713 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' K' K ' 5' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -57.5 -42.2 82.25 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.392 0.615 . . . . 0.0 110.918 179.399 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' K' K ' 6' ' ' CYS . . . . . 0.437 ' HB2' HD13 ' L' ' 11' ' ' LEU . 82.0 m -89.07 2.28 54.31 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.269 -179.213 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' K' K ' 7' ' ' CYS . . . . . . . . . . . . . 9.8 t -112.66 -18.58 12.32 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.878 0.37 . . . . 0.0 110.964 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' K' K ' 8' ' ' THR . . . . . . . . . . . . . 9.2 t -76.99 -22.7 52.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.626 -179.05 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' K' K ' 9' ' ' SER . . . . . . . . . . . . . 21.4 t -163.42 11.4 0.06 Allowed 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 121.281 -0.168 . . . . 0.0 111.158 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' K' K ' 10' ' ' ILE . . . . . 0.412 ' HA ' ' O ' ' K' ' 6' ' ' CYS . 2.5 mp 66.48 119.18 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 CA-C-O 121.384 0.611 . . . . 0.0 111.085 -179.598 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' K' K ' 11' ' ' CYS . . . . . . . . . . . . . 63.4 m -72.79 141.35 48.06 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.262 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' K' K ' 12' ' ' SER . . . . . . . . . . . . . 45.3 t -80.86 166.02 21.29 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 177.775 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' K' K ' 13' ' ' LEU . . . . . . . . . . . . . 9.5 mp -60.27 -32.01 70.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.07 0.462 . . . . 0.0 110.342 179.528 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -70.17 -17.06 63.16 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.45 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -95.81 -39.32 9.9 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.898 0.38 . . . . 0.0 110.21 179.077 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' K' K ' 16' ' ' LEU . . . . . . . . . . . . . 87.4 mt -66.82 -31.01 71.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.435 179.624 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' K' K ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.22 -30.23 66.33 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.271 179.669 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' K' K ' 18' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -61.21 -24.84 66.63 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.759 -0.655 . . . . 0.0 112.07 179.411 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' K' K ' 19' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -107.6 8.34 29.13 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.941 -177.721 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' K' K ' 20' ' ' CYS . . . . . . . . . . . . . 8.1 t -78.79 150.68 32.3 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.893 0.378 . . . . 0.0 110.906 -179.662 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' K' K ' 21' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.521 -179.65 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' L' L ' 1' ' ' PHE . . . . . 0.43 ' O ' ' HB3' ' L' ' 4' ' ' GLN . 52.5 t80 . . . . . 0 N--CA 1.481 1.121 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' L' L ' 2' ' ' VAL . . . . . 0.495 ' O ' ' HG ' ' L' ' 6' ' ' LEU . 16.5 m -72.65 -39.54 60.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 C-N-CA 120.53 -0.468 . . . . 0.0 111.679 -178.777 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' L' L ' 3' ' ' ASN . . . . . 0.567 ' O ' ' HB3' ' L' ' 7' ' ' CYS . 25.3 m-20 -72.73 -4.7 32.97 Favored 'General case' 0 C--O 1.216 -0.679 0 CA-C-O 121.182 0.515 . . . . 0.0 109.808 178.558 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' L' L ' 4' ' ' GLN . . . . . 0.574 ' HG3' HG11 ' K' ' 3' ' ' VAL . 29.2 tt0 -72.01 -17.83 62.01 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 177.866 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' L' L ' 5' ' ' HIS . . . . . 0.437 ' HA ' ' HE2' ' J' ' 16' ' ' TYR . 53.0 t-80 -112.83 -2.86 14.27 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.995 178.741 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' L' L ' 6' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' L' ' 2' ' ' VAL . 8.0 mt -113.74 -39.77 3.94 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.487 0.661 . . . . 0.0 110.085 -179.146 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' L' L ' 7' ' ' CYS . . . . . 0.567 ' HB3' ' O ' ' L' ' 3' ' ' ASN . 0.5 OUTLIER -88.78 -33.63 17.38 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 178.072 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' L' L ' 8' ' ' GLY . . . . . . . . . . . . . . . -61.55 -26.6 66.78 Favored Glycine 0 N--CA 1.449 -0.44 0 CA-C-N 115.585 -0.734 . . . . 0.0 112.699 178.549 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' L' L ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.09 10.32 3.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.981 0.42 . . . . 0.0 111.721 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' L' L ' 10' ' ' HIS . . . . . . . . . . . . . 39.0 m-70 -113.82 -39.45 3.99 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 178.085 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' L' L ' 11' ' ' LEU . . . . . 0.474 ' H ' ' HG ' ' L' ' 11' ' ' LEU . 0.1 OUTLIER -64.72 -25.52 67.97 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.36 -0.837 . . . . 0.0 109.908 179.344 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' L' L ' 12' ' ' VAL . . . . . . . . . . . . . 5.8 m -60.68 -49.21 85.39 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 -179.382 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' L' L ' 13' ' ' GLU . . . . . 0.863 ' HA ' ' HE1' ' L' ' 16' ' ' TYR . 63.3 tt0 -66.18 -33.72 76.41 Favored 'General case' 0 CA--C 1.521 -0.163 0 C-N-CA 120.56 -0.456 . . . . 0.0 110.375 -179.529 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' L' L ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.1 -40.14 78.58 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.764 179.087 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' L' L ' 15' ' ' LEU . . . . . . . . . . . . . 12.1 mt -57.16 -55.0 40.41 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.265 -179.673 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' L' L ' 16' ' ' TYR . . . . . 0.92 ' HB2' ' HG3' ' J' ' 28' ' ' PRO . 3.3 p90 -79.65 3.14 20.0 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 119.555 -0.858 . . . . 0.0 111.196 -179.705 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' L' L ' 17' ' ' LEU . . . . . 0.58 ' HB2' ' O ' ' L' ' 13' ' ' GLU . 5.3 tt -88.38 -44.41 10.79 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 107.807 -1.182 . . . . 0.0 107.807 177.696 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 87.3 t -65.29 -39.09 84.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.802 178.764 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' L' L ' 19' ' ' CYS . . . . . 0.841 ' HB3' ' HB2' ' L' ' 22' ' ' ARG . 92.8 m -79.26 -20.74 47.38 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.063 179.52 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' L' L ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.99 -101.01 0.75 Allowed Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 121.107 -0.568 . . . . 0.0 112.171 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' L' L ' 21' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -97.97 1.43 47.9 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.283 0.563 . . . . 0.0 109.836 179.208 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' L' L ' 22' ' ' ARG . . . . . 0.841 ' HB2' ' HB3' ' L' ' 19' ' ' CYS . 45.8 mtp85 -88.15 151.01 23.01 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.219 178.747 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' L' L ' 23' ' ' GLY . . . . . 0.765 ' HA2' ' HD2' ' J' ' 28' ' ' PRO . . . -88.96 -168.11 43.63 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.49 -0.862 . . . . 0.0 112.461 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' L' L ' 24' ' ' PHE . . . . . 0.737 ' CE1' ' HB3' ' L' ' 16' ' ' TYR . 17.4 p90 -167.61 171.24 10.41 Favored 'General case' 0 C--O 1.24 0.582 0 CA-C-O 121.272 0.558 . . . . 0.0 110.94 179.643 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' L' L ' 25' ' ' PHE . . . . . 0.543 ' HD1' ' HD1' ' J' ' 25' ' ' PHE . 40.1 m-85 -109.96 136.24 49.55 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.087 179.291 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' L' L ' 26' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -134.05 121.2 21.21 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.493 -179.653 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' L' L ' 27' ' ' THR . . . . . 0.568 HG22 ' HA3' ' J' ' 23' ' ' GLY . 1.9 p -127.58 99.62 26.57 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.406 -179.439 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' L' L ' 28' ' ' PRO . . . . . 0.93 ' HG3' ' HB2' ' J' ' 16' ' ' TYR . 94.3 Cg_endo -78.99 51.42 3.85 Favored 'Trans proline' 0 C--O 1.234 0.282 0 C-N-CA 122.987 2.458 . . . . 0.0 112.025 179.305 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' L' L ' 29' ' ' LYS . . . . . 0.435 ' O ' ' HA3' ' K' ' 1' ' ' GLY . 20.5 ptmt . . . . . 0 C--N 1.32 -0.687 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.827 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.678 0 N-CA-C 111.939 -0.464 . . . . 0.0 111.939 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.418 HG23 HG23 ' A' ' 3' ' ' VAL . 4.7 tt -149.81 -41.98 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 120.805 0.336 . . . . 0.0 111.558 -179.591 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.819 HG21 ' HA ' ' B' ' 28' ' ' PRO . 3.1 t -82.44 -37.51 14.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -178.779 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -61.02 -44.0 98.05 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.494 -178.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.502 ' HG3' ' SG ' ' A' ' 11' ' ' CYS . 3.2 pt20 -73.59 -23.9 59.99 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -179.048 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 97.4 m -98.78 -33.4 10.92 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 113.725 1.009 . . . . 0.0 113.725 -177.109 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.588 ' HB2' HD11 ' B' ' 11' ' ' LEU . 48.9 t -76.3 0.05 20.74 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 -178.685 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.496 HG23 ' H ' ' A' ' 9' ' ' SER . 1.7 t -88.64 -63.91 1.23 Allowed 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.533 -0.467 . . . . 0.0 111.02 179.464 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.496 ' H ' HG23 ' A' ' 8' ' ' THR . 26.5 m -141.89 30.27 1.65 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 122.025 -0.422 . . . . 0.0 111.319 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.458 ' HB ' ' O ' ' A' ' 9' ' ' SER . 2.5 mp 71.42 144.57 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 CA-C-O 121.253 0.549 . . . . 0.0 111.384 179.378 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.502 ' SG ' ' HG3' ' A' ' 5' ' ' GLN . 88.6 m -102.27 167.46 9.97 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.107 0.48 . . . . 0.0 111.566 -179.377 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.605 ' HB3' ' HG3' ' A' ' 15' ' ' GLN . 40.0 t -79.9 154.52 28.28 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.62 178.446 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 22.0 tp -54.73 -45.54 74.1 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.524 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -66.32 -25.1 66.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.059 -0.519 . . . . 0.0 112.066 -178.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.605 ' HG3' ' HB3' ' A' ' 12' ' ' SER . 76.7 mt-30 -73.47 -39.67 64.72 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.929 0.395 . . . . 0.0 110.41 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 83.4 mt -68.22 -34.59 76.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.965 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -57.98 -24.69 59.13 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 115.813 -0.63 . . . . 0.0 112.167 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -72.25 -15.27 61.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.851 0.358 . . . . 0.0 111.192 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.5 ' HD1' ' HE1' ' B' ' 25' ' ' PHE . 59.8 m-85 -106.51 -2.95 21.4 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.921 0.391 . . . . 0.0 110.768 -179.288 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 12.3 t -74.89 149.51 39.46 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.108 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 . . . . . 0 C--O 1.252 1.2 0 CA-C-O 118.707 -0.663 . . . . 0.0 110.336 -179.44 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 7.4 p90 . . . . . 0 N--CA 1.487 1.398 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.72 HG11 HD12 ' B' ' 6' ' ' LEU . 26.2 m 39.63 -138.25 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 124.196 0.998 . . . . 0.0 113.267 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -157.95 -171.56 3.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.772 0.32 . . . . 0.0 110.513 -178.47 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' GLN . . . . . 0.423 ' HG3' ' CG1' ' A' ' 3' ' ' VAL . 6.2 tt0 -50.06 -34.1 20.5 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 124.297 1.039 . . . . 0.0 111.475 178.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 5' ' ' HIS . . . . . 0.468 ' HE1' ' HA2' ' D' ' 20' ' ' GLY . 55.5 t60 -58.32 -15.67 11.28 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.152 -0.931 . . . . 0.0 113.053 -178.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.752 HD21 ' H4 ' ' I' ' 22' ' ' IPH . 43.2 mt -127.18 -20.29 4.15 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.312 0.577 . . . . 0.0 110.959 179.193 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 7' ' ' CYS . . . . . 0.532 ' SG ' HG13 ' F' ' 2' ' ' VAL . 1.3 t -76.21 -33.08 59.26 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.475 179.494 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 8' ' ' GLY . . . . . 0.569 ' HA3' ' OH ' ' B' ' 26' ' ' TYR . . . -70.65 -22.14 77.94 Favored Glycine 0 N--CA 1.447 -0.588 0 CA-C-N 115.783 -0.644 . . . . 0.0 113.825 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' SER . . . . . 0.876 ' HB2' ' HG2' ' D' ' 13' ' ' GLU . 18.2 p -66.0 -15.72 63.27 Favored 'General case' 0 C--O 1.225 -0.234 0 CA-C-N 117.274 0.537 . . . . 0.0 110.763 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -106.59 -20.59 13.32 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.609 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.588 HD11 ' HB2' ' A' ' 7' ' ' CYS . 73.4 mt -68.26 -37.32 80.62 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.299 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.612 ' HA ' ' HB2' ' B' ' 15' ' ' LEU . 4.9 m -67.33 -33.83 65.14 Favored 'Isoleucine or valine' 0 C--O 1.232 0.139 0 CA-C-N 115.085 -0.961 . . . . 0.0 111.647 179.466 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.877 ' HG2' ' HB2' ' D' ' 9' ' ' SER . 43.2 mt-10 -56.24 -41.86 76.41 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 121.136 0.493 . . . . 0.0 110.374 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.474 ' O ' HG23 ' B' ' 18' ' ' VAL . . . -81.42 -33.76 31.96 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.516 178.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.612 ' HB2' ' HA ' ' B' ' 12' ' ' VAL . 3.0 mt -55.26 -55.04 35.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.419 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 16' ' ' TYR . . . . . 0.764 ' HB3' ' CE1' ' B' ' 24' ' ' PHE . 6.7 p90 -76.57 -14.82 59.98 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 119.643 -0.823 . . . . 0.0 111.351 -179.324 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.568 HD12 ' CE1' ' D' ' 5' ' ' HIS . 33.2 tp -69.43 -34.29 74.22 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 177.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.474 HG23 ' O ' ' B' ' 14' ' ' ALA . 96.1 t -68.13 -46.39 81.47 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.371 178.296 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' CYS . . . . . 0.688 ' HB3' ' HB2' ' B' ' 22' ' ' ARG . 85.5 m -66.69 -43.0 85.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.082 179.78 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.14 -87.18 0.18 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 121.423 -0.418 . . . . 0.0 112.895 179.552 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -88.69 -6.6 57.35 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.97 0.414 . . . . 0.0 110.449 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' ARG . . . . . 0.688 ' HB2' ' HB3' ' B' ' 19' ' ' CYS . 19.9 mtt85 -104.08 172.69 6.66 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.094 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' GLY . . . . . 0.825 ' HA2' ' HD2' ' D' ' 28' ' ' PRO . . . -112.89 -159.91 14.2 Favored Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 178.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 24' ' ' PHE . . . . . 0.764 ' CE1' ' HB3' ' B' ' 16' ' ' TYR . 8.4 p90 -173.44 158.44 3.48 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.025 0.441 . . . . 0.0 110.514 179.435 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 25' ' ' PHE . . . . . 0.5 ' HE1' ' HD1' ' A' ' 19' ' ' TYR . 4.1 p90 -104.44 124.45 49.26 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 178.767 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.569 ' OH ' ' HA3' ' B' ' 8' ' ' GLY . 78.6 t80 -116.21 123.64 48.27 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.0 -178.586 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 27' ' ' THR . . . . . 0.444 HG22 ' HA3' ' D' ' 23' ' ' GLY . 6.7 p -126.51 97.33 34.0 Favored Pre-proline 0 C--N 1.317 -0.841 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.787 179.56 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 28' ' ' PRO . . . . . 0.823 ' HD2' ' HA2' ' D' ' 23' ' ' GLY . 59.9 Cg_endo -73.38 52.65 2.42 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 122.931 2.421 . . . . 0.0 111.331 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 30.1 tttt -117.79 -33.11 4.61 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 114.697 -1.138 . . . . 0.0 109.166 -179.083 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 7.0 m . . . . . 0 C--O 1.246 0.917 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 179.53 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.729 0 N-CA-C 111.939 -0.464 . . . . 0.0 111.939 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 4.7 tt -150.76 -41.55 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 120.637 0.256 . . . . 0.0 111.433 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 3' ' ' VAL . . . . . 0.834 HG21 ' HA ' ' D' ' 28' ' ' PRO . 3.2 t -82.59 -38.47 15.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 111.815 0.302 . . . . 0.0 111.815 -178.625 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -60.69 -44.42 96.57 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.386 -178.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 5' ' ' GLN . . . . . 0.485 ' HG3' ' SG ' ' C' ' 11' ' ' CYS . 3.2 pt20 -73.03 -21.77 60.75 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -178.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 92.7 m -101.23 -33.12 10.2 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 113.488 0.921 . . . . 0.0 113.488 -177.137 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 7' ' ' CYS . . . . . 0.591 ' HB2' HD11 ' D' ' 11' ' ' LEU . 48.6 t -76.3 0.42 19.41 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 111.825 0.306 . . . . 0.0 111.825 -178.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 8' ' ' THR . . . . . 0.487 HG23 ' H ' ' C' ' 9' ' ' SER . 1.4 t -88.9 -64.58 1.12 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 121.853 -0.529 . . . . 0.0 110.953 179.179 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 9' ' ' SER . . . . . 0.487 ' H ' HG23 ' C' ' 8' ' ' THR . 17.9 m -140.69 28.45 1.97 Allowed 'General case' 0 C--N 1.328 -0.341 0 O-C-N 122.038 -0.413 . . . . 0.0 111.681 -179.197 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 10' ' ' ILE . . . . . 0.471 ' HB ' ' O ' ' C' ' 9' ' ' SER . 2.5 mp 72.39 143.5 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 CA-C-O 121.101 0.476 . . . . 0.0 111.321 179.592 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 11' ' ' CYS . . . . . 0.485 ' SG ' ' HG3' ' C' ' 5' ' ' GLN . 86.4 m -101.04 167.88 9.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.001 0.429 . . . . 0.0 111.631 -179.382 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 12' ' ' SER . . . . . 0.665 ' HB3' ' HG3' ' C' ' 15' ' ' GLN . 36.8 t -79.2 156.83 28.01 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.647 178.232 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 21.8 tp -57.36 -45.57 84.24 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.263 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -65.42 -26.33 67.92 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.91 -0.586 . . . . 0.0 112.207 -179.115 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 15' ' ' GLN . . . . . 0.665 ' HG3' ' HB3' ' C' ' 12' ' ' SER . 74.4 mt-30 -72.54 -41.01 66.27 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.774 0.321 . . . . 0.0 110.451 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 79.4 mt -67.01 -34.74 78.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.834 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -57.07 -25.57 58.92 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.669 -0.696 . . . . 0.0 112.4 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -71.61 -14.83 62.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.802 0.334 . . . . 0.0 111.432 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 19' ' ' TYR . . . . . 0.51 ' HD1' ' HE1' ' D' ' 25' ' ' PHE . 58.8 m-85 -106.91 -3.92 19.7 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.623 -179.153 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 11.6 t -73.85 149.55 41.5 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.26 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.666 -0.683 . . . . 0.0 110.857 -179.13 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 6.7 p90 . . . . . 0 N--CA 1.485 1.3 0 N-CA-C 111.738 0.273 . . . . 0.0 111.738 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 2' ' ' VAL . . . . . 0.727 HG11 HD12 ' D' ' 6' ' ' LEU . 24.1 m 39.54 -136.76 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 124.365 1.066 . . . . 0.0 113.437 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 3' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -158.98 -172.81 3.95 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 120.708 0.29 . . . . 0.0 110.42 -178.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 4' ' ' GLN . . . . . 0.438 ' HG3' ' CG1' ' C' ' 3' ' ' VAL . 6.3 tt0 -49.68 -33.93 17.1 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 124.28 1.032 . . . . 0.0 111.387 178.725 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 5' ' ' HIS . . . . . 0.568 ' CE1' HD12 ' B' ' 17' ' ' LEU . 19.8 t-80 -58.47 -15.3 10.42 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 115.348 -0.842 . . . . 0.0 113.043 -178.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 6' ' ' LEU . . . . . 0.744 HD21 ' H4 ' ' G' ' 22' ' ' IPH . 37.5 mt -126.99 -21.24 4.02 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.306 0.574 . . . . 0.0 110.761 179.26 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 7' ' ' CYS . . . . . 0.526 ' SG ' HG13 ' L' ' 2' ' ' VAL . 1.1 t -75.47 -33.06 60.8 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.703 179.516 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 8' ' ' GLY . . . . . 0.572 ' HA3' ' OH ' ' D' ' 26' ' ' TYR . . . -70.42 -22.28 77.67 Favored Glycine 0 N--CA 1.446 -0.651 0 CA-C-N 115.717 -0.674 . . . . 0.0 113.703 -179.648 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 9' ' ' SER . . . . . 0.877 ' HB2' ' HG2' ' B' ' 13' ' ' GLU . 19.6 p -66.18 -15.6 63.28 Favored 'General case' 0 C--O 1.225 -0.195 0 CA-C-N 117.244 0.522 . . . . 0.0 110.721 -179.551 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 10' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -106.69 -20.63 13.29 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.612 -179.342 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 11' ' ' LEU . . . . . 0.591 HD11 ' HB2' ' C' ' 7' ' ' CYS . 73.9 mt -68.23 -37.13 80.51 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 177.267 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 12' ' ' VAL . . . . . 0.608 ' HA ' ' HB2' ' D' ' 15' ' ' LEU . 4.6 m -67.41 -33.74 64.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.076 -0.965 . . . . 0.0 111.744 179.554 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 13' ' ' GLU . . . . . 0.876 ' HG2' ' HB2' ' B' ' 9' ' ' SER . 43.9 mt-10 -56.52 -41.89 77.48 Favored 'General case' 0 N--CA 1.461 0.102 0 CA-C-O 121.183 0.516 . . . . 0.0 110.35 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 14' ' ' ALA . . . . . 0.483 ' O ' HG23 ' D' ' 18' ' ' VAL . . . -81.48 -33.26 32.08 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.583 178.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 15' ' ' LEU . . . . . 0.608 ' HB2' ' HA ' ' D' ' 12' ' ' VAL . 3.0 mt -55.81 -54.75 40.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.432 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 16' ' ' TYR . . . . . 0.75 ' HB3' ' CE1' ' D' ' 24' ' ' PHE . 6.5 p90 -76.72 -14.42 59.95 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 119.617 -0.833 . . . . 0.0 111.257 -179.202 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 17' ' ' LEU . . . . . 0.552 HD23 HD23 ' J' ' 17' ' ' LEU . 33.6 tp -70.02 -34.36 73.17 Favored 'General case' 0 C--O 1.232 0.179 0 N-CA-C 108.134 -1.061 . . . . 0.0 108.134 178.043 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 18' ' ' VAL . . . . . 0.483 HG23 ' O ' ' D' ' 14' ' ' ALA . 96.4 t -68.32 -44.02 84.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 114.876 -1.056 . . . . 0.0 109.636 178.216 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 19' ' ' CYS . . . . . 0.712 ' HB3' ' HB2' ' D' ' 22' ' ' ARG . 89.9 m -69.52 -42.38 74.77 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.936 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 20' ' ' GLY . . . . . 0.468 ' HA2' ' HE1' ' B' ' 5' ' ' HIS . . . 68.38 -86.56 0.19 Allowed Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 121.347 -0.454 . . . . 0.0 112.841 179.541 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -90.03 -4.76 57.22 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.999 0.428 . . . . 0.0 110.705 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 22' ' ' ARG . . . . . 0.712 ' HB2' ' HB3' ' D' ' 19' ' ' CYS . 20.4 mtt85 -105.91 172.71 6.66 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.792 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 23' ' ' GLY . . . . . 0.823 ' HA2' ' HD2' ' B' ' 28' ' ' PRO . . . -113.23 -159.35 13.61 Favored Glycine 0 N--CA 1.447 -0.608 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 178.767 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 24' ' ' PHE . . . . . 0.75 ' CE1' ' HB3' ' D' ' 16' ' ' TYR . 8.7 p90 -173.62 158.79 3.44 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 117.076 0.438 . . . . 0.0 110.321 179.593 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 25' ' ' PHE . . . . . 0.51 ' HE1' ' HD1' ' C' ' 19' ' ' TYR . 3.9 p90 -104.99 124.9 50.33 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 178.628 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 26' ' ' TYR . . . . . 0.572 ' OH ' ' HA3' ' D' ' 8' ' ' GLY . 78.6 t80 -116.73 122.71 45.28 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.237 -178.414 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 27' ' ' THR . . . . . 0.447 HG22 ' HA3' ' B' ' 23' ' ' GLY . 6.8 p -125.79 97.29 36.14 Favored Pre-proline 0 C--N 1.313 -0.998 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.828 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 28' ' ' PRO . . . . . 0.834 ' HA ' HG21 ' C' ' 3' ' ' VAL . 59.5 Cg_endo -72.9 50.85 1.85 Allowed 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 123.046 2.498 . . . . 0.0 111.656 179.431 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 28.2 tttt -115.11 -35.01 4.84 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 114.763 -1.108 . . . . 0.0 109.159 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 8.8 m . . . . . 0 C--O 1.246 0.899 0 CA-C-O 117.994 -1.003 . . . . 0.0 108.32 179.544 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.841 0 N-CA-C 111.886 -0.486 . . . . 0.0 111.886 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' E' E ' 2' ' ' ILE . . . . . 0.409 HG23 HG23 ' E' ' 3' ' ' VAL . 4.9 tt -149.42 -41.55 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 120.773 0.32 . . . . 0.0 111.603 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 3' ' ' VAL . . . . . 0.812 HG21 ' HA ' ' F' ' 28' ' ' PRO . 3.2 t -82.59 -37.9 14.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -178.645 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 4' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -60.69 -46.37 90.63 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.109 -179.006 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 5' ' ' GLN . . . . . 0.49 ' HG3' ' SG ' ' E' ' 11' ' ' CYS . 3.1 pt20 -71.05 -22.7 62.1 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -178.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 6' ' ' CYS . . . . . . . . . . . . . 94.1 m -100.27 -33.49 10.39 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 -177.304 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 7' ' ' CYS . . . . . 0.592 ' HB2' HD11 ' F' ' 11' ' ' LEU . 49.0 t -76.53 0.69 19.02 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -178.779 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 8' ' ' THR . . . . . 0.55 HG23 ' H ' ' E' ' 9' ' ' SER . 1.7 t -88.8 -65.69 0.99 Allowed 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.684 179.228 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 9' ' ' SER . . . . . 0.55 ' H ' HG23 ' E' ' 8' ' ' THR . 22.1 m -139.8 29.86 2.09 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 122.354 -0.216 . . . . 0.0 111.575 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 10' ' ' ILE . . . . . 0.477 ' HB ' ' O ' ' E' ' 9' ' ' SER . 2.4 mp 71.79 145.39 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.236 179.654 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 11' ' ' CYS . . . . . 0.49 ' SG ' ' HG3' ' E' ' 5' ' ' GLN . 94.1 m -102.74 168.48 9.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.228 0.537 . . . . 0.0 111.79 -179.441 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 12' ' ' SER . . . . . 0.654 ' HB3' ' HG3' ' E' ' 15' ' ' GLN . 38.1 t -80.45 154.62 27.52 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.584 178.474 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 21.6 tp -54.92 -45.86 74.84 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.071 0.462 . . . . 0.0 111.301 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -65.73 -25.76 67.44 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.027 -0.533 . . . . 0.0 112.184 -178.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 15' ' ' GLN . . . . . 0.654 ' HG3' ' HB3' ' E' ' 12' ' ' SER . 76.0 mt-30 -72.89 -40.47 65.56 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.812 0.339 . . . . 0.0 110.369 179.735 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 16' ' ' LEU . . . . . . . . . . . . . 82.5 mt -67.65 -34.73 77.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.853 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 17' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -57.12 -26.32 60.31 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.07 -0.514 . . . . 0.0 112.303 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 18' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -70.95 -14.69 62.45 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.81 0.338 . . . . 0.0 111.539 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 19' ' ' TYR . . . . . 0.496 ' HD1' ' HE1' ' F' ' 25' ' ' PHE . 59.7 m-85 -107.29 -3.32 19.82 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.88 0.371 . . . . 0.0 110.925 -179.245 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 20' ' ' CYS . . . . . . . . . . . . . 12.4 t -74.44 149.43 40.4 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.149 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 21' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 . . . . . 0 C--O 1.253 1.252 0 CA-C-O 118.617 -0.706 . . . . 0.0 110.086 -179.535 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' F' F ' 1' ' ' PHE . . . . . . . . . . . . . 7.7 p90 . . . . . 0 N--CA 1.486 1.325 0 N-CA-C 111.717 0.265 . . . . 0.0 111.717 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' F' F ' 2' ' ' VAL . . . . . 0.713 HG11 HD12 ' F' ' 6' ' ' LEU . 24.6 m 40.07 -136.9 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 124.287 1.035 . . . . 0.0 113.245 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 3' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -159.13 -172.98 3.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.791 0.329 . . . . 0.0 110.39 -178.332 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 4' ' ' GLN . . . . . 0.442 ' HG3' ' CG1' ' E' ' 3' ' ' VAL . 5.9 tt0 -49.41 -33.44 13.91 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 124.198 0.999 . . . . 0.0 111.538 178.75 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 5' ' ' HIS . . . . . 0.456 ' HE1' ' HA2' ' H' ' 20' ' ' GLY . 56.8 t60 -58.7 -15.6 12.67 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 115.292 -0.867 . . . . 0.0 112.901 -178.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 6' ' ' LEU . . . . . 0.775 HD21 ' H4 ' ' A' ' 22' ' ' IPH . 41.8 mt -127.03 -20.88 4.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.368 0.604 . . . . 0.0 110.936 179.083 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 7' ' ' CYS . . . . . 0.518 ' SG ' HG13 ' J' ' 2' ' ' VAL . 1.3 t -75.54 -33.75 60.71 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.539 179.567 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 8' ' ' GLY . . . . . 0.58 ' HA3' ' OH ' ' F' ' 26' ' ' TYR . . . -69.86 -22.42 76.97 Favored Glycine 0 N--CA 1.445 -0.733 0 CA-C-N 115.954 -0.567 . . . . 0.0 113.798 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 9' ' ' SER . . . . . 0.88 ' HB2' ' HG2' ' H' ' 13' ' ' GLU . 19.5 p -65.85 -16.15 63.57 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 121.196 0.522 . . . . 0.0 110.829 -179.605 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 10' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -106.26 -20.46 13.39 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.659 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 11' ' ' LEU . . . . . 0.592 HD11 ' HB2' ' E' ' 7' ' ' CYS . 72.7 mt -68.49 -37.15 79.85 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 177.262 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 12' ' ' VAL . . . . . 0.619 ' HA ' ' HB2' ' F' ' 15' ' ' LEU . 4.8 m -67.49 -33.43 62.25 Favored 'Isoleucine or valine' 0 C--O 1.232 0.171 0 CA-C-N 115.098 -0.955 . . . . 0.0 111.688 179.444 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 13' ' ' GLU . . . . . 0.877 ' HG2' ' HB2' ' H' ' 9' ' ' SER . 43.3 mt-10 -56.51 -42.08 77.79 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 121.331 0.586 . . . . 0.0 110.333 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 14' ' ' ALA . . . . . 0.486 ' O ' HG23 ' F' ' 18' ' ' VAL . . . -81.23 -33.29 32.94 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.679 178.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 15' ' ' LEU . . . . . 0.619 ' HB2' ' HA ' ' F' ' 12' ' ' VAL . 3.0 mt -55.9 -54.71 41.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.495 -179.703 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 16' ' ' TYR . . . . . 0.765 ' HB3' ' CE1' ' F' ' 24' ' ' PHE . 6.6 p90 -76.46 -15.15 59.98 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 119.752 -0.779 . . . . 0.0 111.08 -179.347 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 17' ' ' LEU . . . . . 0.542 HD23 HD23 ' L' ' 17' ' ' LEU . 32.6 tp -69.07 -35.0 76.06 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 177.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 18' ' ' VAL . . . . . 0.486 HG23 ' O ' ' F' ' 14' ' ' ALA . 94.0 t -67.77 -45.61 84.09 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.516 178.228 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 19' ' ' CYS . . . . . 0.668 ' HB3' ' HB2' ' F' ' 22' ' ' ARG . 87.8 m -67.62 -43.21 80.94 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.053 179.757 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 20' ' ' GLY . . . . . 0.421 ' HA2' ' HE1' ' H' ' 5' ' ' HIS . . . 68.41 -87.43 0.2 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 121.355 -0.45 . . . . 0.0 112.957 179.459 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 21' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -88.74 -5.36 58.14 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.019 0.438 . . . . 0.0 110.583 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 22' ' ' ARG . . . . . 0.668 ' HB2' ' HB3' ' F' ' 19' ' ' CYS . 18.9 mtt85 -105.41 172.27 6.88 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.937 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 23' ' ' GLY . . . . . 0.823 ' HA2' ' HD2' ' H' ' 28' ' ' PRO . . . -112.57 -159.29 14.23 Favored Glycine 0 C--O 1.226 -0.387 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 178.841 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 24' ' ' PHE . . . . . 0.765 ' CE1' ' HB3' ' F' ' 16' ' ' TYR . 8.9 p90 -173.79 158.65 3.3 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.052 0.453 . . . . 0.0 110.451 179.505 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 25' ' ' PHE . . . . . 0.496 ' HE1' ' HD1' ' E' ' 19' ' ' TYR . 3.8 p90 -104.75 124.33 49.21 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 178.658 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 26' ' ' TYR . . . . . 0.58 ' OH ' ' HA3' ' F' ' 8' ' ' GLY . 79.3 t80 -116.12 122.85 46.34 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.149 -178.656 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 27' ' ' THR . . . . . 0.471 HG22 ' HA3' ' H' ' 23' ' ' GLY . 3.2 p -125.67 97.46 36.14 Favored Pre-proline 0 C--N 1.314 -0.95 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.701 179.762 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 28' ' ' PRO . . . . . 0.851 ' HD2' ' HA2' ' H' ' 23' ' ' GLY . 61.0 Cg_endo -73.65 52.9 2.59 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.863 2.375 . . . . 0.0 111.396 179.578 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 29' ' ' LYS . . . . . . . . . . . . . 28.5 tttt -117.16 -34.92 4.2 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.88 -1.054 . . . . 0.0 108.964 -179.211 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 30' ' ' THR . . . . . . . . . . . . . 9.2 m . . . . . 0 C--O 1.245 0.848 0 CA-C-O 118.114 -0.946 . . . . 0.0 108.581 179.567 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' G' G ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.586 0 N-CA-C 111.762 -0.535 . . . . 0.0 111.762 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' G' G ' 2' ' ' ILE . . . . . 0.4 HG23 HG23 ' G' ' 3' ' ' VAL . 4.7 tt -150.46 -41.47 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.694 0.283 . . . . 0.0 111.413 179.717 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 3' ' ' VAL . . . . . 0.816 HG21 ' HA ' ' H' ' 28' ' ' PRO . 3.3 t -82.53 -38.86 15.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -178.807 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 4' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -60.06 -45.24 93.54 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.586 0.232 . . . . 0.0 111.381 -178.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 5' ' ' GLN . . . . . 0.463 ' HG3' ' SG ' ' G' ' 11' ' ' CYS . 3.2 pt20 -71.98 -22.26 61.46 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 -178.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 6' ' ' CYS . . . . . . . . . . . . . 91.1 m -100.64 -33.73 10.17 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 113.539 0.94 . . . . 0.0 113.539 -177.137 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 7' ' ' CYS . . . . . 0.59 ' HB2' HD11 ' H' ' 11' ' ' LEU . 47.7 t -75.73 -0.09 19.68 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -178.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 8' ' ' THR . . . . . 0.514 HG23 ' H ' ' G' ' 9' ' ' SER . 1.7 t -88.29 -65.18 1.04 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 121.923 -0.486 . . . . 0.0 110.806 179.311 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 9' ' ' SER . . . . . 0.514 ' H ' HG23 ' G' ' 8' ' ' THR . 19.9 m -140.71 29.97 1.9 Allowed 'General case' 0 C--N 1.328 -0.329 0 O-C-N 122.238 -0.289 . . . . 0.0 111.681 -179.487 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 10' ' ' ILE . . . . . 0.453 ' HB ' ' O ' ' G' ' 9' ' ' SER . 2.5 mp 71.58 144.26 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.663 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.247 179.529 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 11' ' ' CYS . . . . . 0.463 ' SG ' ' HG3' ' G' ' 5' ' ' GLN . 86.2 m -101.54 169.28 8.95 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.068 0.461 . . . . 0.0 111.766 -179.321 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 12' ' ' SER . . . . . 0.652 ' HB3' ' HG3' ' G' ' 15' ' ' GLN . 31.5 t -80.37 156.3 26.76 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.558 178.44 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 13' ' ' LEU . . . . . . . . . . . . . 21.5 tp -57.56 -45.25 85.38 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.08 0.466 . . . . 0.0 111.242 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -65.75 -25.5 67.3 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.91 -0.587 . . . . 0.0 112.103 -179.124 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 15' ' ' GLN . . . . . 0.652 ' HG3' ' HB3' ' G' ' 12' ' ' SER . 76.1 mt-30 -73.45 -39.62 64.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.797 0.332 . . . . 0.0 110.614 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 16' ' ' LEU . . . . . . . . . . . . . 82.8 mt -68.54 -34.46 75.9 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.845 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 17' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -58.1 -24.43 58.65 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.858 -0.61 . . . . 0.0 112.264 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 18' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -71.64 -15.89 62.25 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.825 0.345 . . . . 0.0 111.138 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 19' ' ' TYR . . . . . 0.5 ' HD1' ' HE1' ' H' ' 25' ' ' PHE . 59.5 m-85 -106.24 -2.47 22.36 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.876 0.369 . . . . 0.0 110.963 -179.128 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 20' ' ' CYS . . . . . . . . . . . . . 12.1 t -74.59 150.15 39.81 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.182 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 21' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.702 -0.666 . . . . 0.0 110.52 -179.248 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' H' H ' 1' ' ' PHE . . . . . . . . . . . . . 6.9 p90 . . . . . 0 N--CA 1.482 1.168 0 N-CA-C 111.642 0.238 . . . . 0.0 111.642 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' H' H ' 2' ' ' VAL . . . . . 0.714 HG11 HD12 ' H' ' 6' ' ' LEU . 27.5 m 39.4 -138.49 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 C-N-CA 124.149 0.98 . . . . 0.0 113.438 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 3' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -157.41 -171.89 3.77 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.686 0.279 . . . . 0.0 110.4 -178.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 4' ' ' GLN . . . . . 0.438 ' HG3' ' CG1' ' G' ' 3' ' ' VAL . 6.6 tt0 -49.92 -34.56 20.9 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 124.359 1.064 . . . . 0.0 111.397 178.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 5' ' ' HIS . . . . . 0.421 ' HE1' ' HA2' ' F' ' 20' ' ' GLY . 57.4 t60 -57.62 -15.75 8.43 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 115.175 -0.92 . . . . 0.0 113.068 -178.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 6' ' ' LEU . . . . . 0.77 HD21 ' H4 ' ' K' ' 22' ' ' IPH . 40.5 mt -126.99 -20.98 4.07 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.423 0.63 . . . . 0.0 110.611 179.32 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 7' ' ' CYS . . . . . 0.523 ' SG ' HG13 ' D' ' 2' ' ' VAL . 1.4 t -75.54 -33.83 60.7 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.612 179.591 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 8' ' ' GLY . . . . . 0.57 ' HA3' ' OH ' ' H' ' 26' ' ' TYR . . . -69.68 -22.56 76.79 Favored Glycine 0 N--CA 1.444 -0.783 0 CA-C-N 115.746 -0.661 . . . . 0.0 113.702 -179.665 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 9' ' ' SER . . . . . 0.877 ' HB2' ' HG2' ' F' ' 13' ' ' GLU . 19.6 p -66.01 -15.74 63.29 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 117.43 0.615 . . . . 0.0 110.795 -179.438 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 10' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -106.42 -20.94 13.23 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.682 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 11' ' ' LEU . . . . . 0.59 HD11 ' HB2' ' G' ' 7' ' ' CYS . 72.9 mt -68.01 -37.42 81.41 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 177.187 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 12' ' ' VAL . . . . . 0.604 ' HA ' ' HB2' ' H' ' 15' ' ' LEU . 4.6 m -67.14 -33.67 64.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.043 -0.98 . . . . 0.0 111.7 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 13' ' ' GLU . . . . . 0.88 ' HG2' ' HB2' ' F' ' 9' ' ' SER . 43.2 mt-10 -56.55 -41.92 77.66 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-O 121.27 0.557 . . . . 0.0 110.368 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 14' ' ' ALA . . . . . 0.466 ' O ' HG23 ' H' ' 18' ' ' VAL . . . -81.34 -33.58 32.35 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.627 179.008 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 15' ' ' LEU . . . . . 0.604 ' HB2' ' HA ' ' H' ' 12' ' ' VAL . 2.9 mt -55.68 -54.75 40.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.694 -0.684 . . . . 0.0 112.39 -179.705 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 16' ' ' TYR . . . . . 0.766 ' HB3' ' CE1' ' H' ' 24' ' ' PHE . 6.5 p90 -76.63 -14.74 59.96 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 119.724 -0.79 . . . . 0.0 111.092 -179.284 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 17' ' ' LEU . . . . . 0.54 HD23 HD23 ' B' ' 17' ' ' LEU . 31.7 tp -69.76 -33.77 72.88 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 108.388 -0.968 . . . . 0.0 108.388 177.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 18' ' ' VAL . . . . . 0.466 HG23 ' O ' ' H' ' 14' ' ' ALA . 92.1 t -68.84 -45.11 81.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.452 178.231 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 19' ' ' CYS . . . . . 0.706 ' HB3' ' HB2' ' H' ' 22' ' ' ARG . 88.9 m -68.41 -42.47 78.94 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.919 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 20' ' ' GLY . . . . . 0.456 ' HA2' ' HE1' ' F' ' 5' ' ' HIS . . . 68.13 -86.61 0.18 Allowed Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 121.415 -0.422 . . . . 0.0 112.932 179.474 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 21' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -88.88 -6.94 56.97 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.977 0.418 . . . . 0.0 110.619 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 22' ' ' ARG . . . . . 0.706 ' HB2' ' HB3' ' H' ' 19' ' ' CYS . 19.1 mtt85 -103.79 173.19 6.41 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.169 -179.619 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 23' ' ' GLY . . . . . 0.851 ' HA2' ' HD2' ' F' ' 28' ' ' PRO . . . -113.63 -159.6 13.43 Favored Glycine 0 N--CA 1.446 -0.659 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 178.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 24' ' ' PHE . . . . . 0.766 ' CE1' ' HB3' ' H' ' 16' ' ' TYR . 8.9 p90 -173.57 159.24 3.56 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 117.258 0.529 . . . . 0.0 110.392 179.446 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 25' ' ' PHE . . . . . 0.5 ' HE1' ' HD1' ' G' ' 19' ' ' TYR . 3.9 p90 -105.58 123.61 48.2 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 178.733 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 26' ' ' TYR . . . . . 0.57 ' OH ' ' HA3' ' H' ' 8' ' ' GLY . 76.5 t80 -115.66 123.1 47.51 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.978 -178.377 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 27' ' ' THR . . . . . 0.483 HG22 ' HA3' ' F' ' 23' ' ' GLY . 5.8 p -126.25 97.53 34.34 Favored Pre-proline 0 C--N 1.316 -0.857 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.768 179.587 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 28' ' ' PRO . . . . . 0.823 ' HD2' ' HA2' ' F' ' 23' ' ' GLY . 61.1 Cg_endo -73.3 52.28 2.31 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 123.06 2.506 . . . . 0.0 111.421 179.576 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 29' ' ' LYS . . . . . . . . . . . . . 29.6 tttt -117.75 -31.95 4.98 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 114.793 -1.094 . . . . 0.0 109.348 -178.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 30' ' ' THR . . . . . . . . . . . . . 8.3 m . . . . . 0 C--O 1.248 1.003 0 CA-C-O 117.936 -1.031 . . . . 0.0 108.382 179.388 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' I' I ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.378 0 N-CA-C 111.827 -0.509 . . . . 0.0 111.827 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' I' I ' 2' ' ' ILE . . . . . 0.4 HG23 HG23 ' I' ' 3' ' ' VAL . 4.4 tt -150.16 -41.05 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 120.851 0.358 . . . . 0.0 111.416 179.782 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 3' ' ' VAL . . . . . 0.822 HG21 ' HA ' ' J' ' 28' ' ' PRO . 3.5 t -83.05 -37.97 14.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -178.59 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 4' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -61.35 -44.57 96.95 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.597 0.237 . . . . 0.0 111.101 -178.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 5' ' ' GLN . . . . . 0.491 ' HG3' ' SG ' ' I' ' 11' ' ' CYS . 2.9 pt20 -72.59 -21.66 61.1 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -178.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 6' ' ' CYS . . . . . . . . . . . . . 92.1 m -100.89 -33.57 10.15 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 -177.347 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 7' ' ' CYS . . . . . 0.577 ' HB2' HD11 ' J' ' 11' ' ' LEU . 49.4 t -76.42 1.25 16.94 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -178.724 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 8' ' ' THR . . . . . 0.505 HG23 ' H ' ' I' ' 9' ' ' SER . 1.4 t -89.86 -64.07 1.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 121.909 -0.495 . . . . 0.0 110.815 179.323 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 9' ' ' SER . . . . . 0.505 ' H ' HG23 ' I' ' 8' ' ' THR . 16.6 m -140.9 28.91 1.9 Allowed 'General case' 0 C--N 1.328 -0.369 0 O-C-N 122.205 -0.31 . . . . 0.0 111.569 -179.425 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 10' ' ' ILE . . . . . 0.464 ' HB ' ' O ' ' I' ' 9' ' ' SER . 2.5 mp 71.88 144.35 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 CA-C-O 121.162 0.506 . . . . 0.0 111.256 179.781 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 11' ' ' CYS . . . . . 0.491 ' SG ' ' HG3' ' I' ' 5' ' ' GLN . 87.6 m -101.63 168.48 9.45 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.164 0.507 . . . . 0.0 111.576 -179.282 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 12' ' ' SER . . . . . 0.648 ' HB3' ' HG3' ' I' ' 15' ' ' GLN . 41.7 t -80.46 155.33 27.12 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.519 178.497 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 13' ' ' LEU . . . . . . . . . . . . . 21.8 tp -55.73 -45.7 77.92 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.415 -179.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -65.56 -26.08 67.71 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.992 -0.549 . . . . 0.0 112.25 -178.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 15' ' ' GLN . . . . . 0.648 ' HG3' ' HB3' ' I' ' 12' ' ' SER . 75.5 mt-30 -72.53 -41.02 66.29 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.715 0.293 . . . . 0.0 110.363 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 16' ' ' LEU . . . . . . . . . . . . . 82.8 mt -66.78 -35.1 79.29 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.914 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 17' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -57.07 -25.7 59.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.669 -0.696 . . . . 0.0 112.454 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 18' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -71.48 -15.26 62.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.839 0.352 . . . . 0.0 111.365 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 19' ' ' TYR . . . . . 0.508 ' HD1' ' HE1' ' J' ' 25' ' ' PHE . 60.8 m-85 -106.55 -3.63 20.58 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.949 0.404 . . . . 0.0 110.842 -179.056 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 20' ' ' CYS . . . . . . . . . . . . . 11.8 t -73.8 151.76 40.49 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.079 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 21' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.748 -0.644 . . . . 0.0 110.205 -179.514 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' J' J ' 1' ' ' PHE . . . . . . . . . . . . . 7.5 p90 . . . . . 0 N--CA 1.488 1.435 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' J' J ' 2' ' ' VAL . . . . . 0.72 HG11 HD12 ' J' ' 6' ' ' LEU . 27.4 m 39.47 -138.21 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 124.119 0.968 . . . . 0.0 113.26 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 3' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -158.21 -171.93 3.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.821 0.344 . . . . 0.0 110.449 -178.319 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 4' ' ' GLN . . . . . 0.44 ' HG3' ' CG1' ' I' ' 3' ' ' VAL . 6.0 tt0 -49.51 -34.58 17.59 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 124.375 1.07 . . . . 0.0 111.398 178.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 5' ' ' HIS . . . . . 0.418 ' HE1' ' HA2' ' L' ' 20' ' ' GLY . 56.4 t60 -57.83 -15.87 9.75 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 115.205 -0.907 . . . . 0.0 113.058 -178.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 6' ' ' LEU . . . . . 0.767 HD21 ' H4 ' ' E' ' 22' ' ' IPH . 43.7 mt -126.84 -20.73 4.18 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.385 0.612 . . . . 0.0 110.707 179.155 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 7' ' ' CYS . . . . . 0.523 ' SG ' HG13 ' B' ' 2' ' ' VAL . 1.3 t -75.84 -33.31 60.03 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.495 179.702 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 8' ' ' GLY . . . . . 0.571 ' HA3' ' OH ' ' J' ' 26' ' ' TYR . . . -70.58 -21.81 77.78 Favored Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.937 -0.649 . . . . 0.0 113.89 -179.659 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 9' ' ' SER . . . . . 0.869 ' HB2' ' HG2' ' L' ' 13' ' ' GLU . 19.5 p -66.3 -15.9 63.6 Favored 'General case' 0 C--O 1.225 -0.209 0 CA-C-N 117.294 0.547 . . . . 0.0 110.737 -179.529 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 10' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -106.3 -20.87 13.26 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.806 -179.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 11' ' ' LEU . . . . . 0.577 HD11 ' HB2' ' I' ' 7' ' ' CYS . 73.5 mt -68.07 -37.23 81.01 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 177.168 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 12' ' ' VAL . . . . . 0.628 ' HA ' ' HB2' ' J' ' 15' ' ' LEU . 5.0 m -67.36 -33.49 62.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 115.01 -0.996 . . . . 0.0 111.761 179.535 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 13' ' ' GLU . . . . . 0.874 ' HG2' ' HB2' ' L' ' 9' ' ' SER . 43.9 mt-10 -56.69 -42.09 78.5 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 121.249 0.547 . . . . 0.0 110.234 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 14' ' ' ALA . . . . . 0.455 ' O ' HG23 ' J' ' 18' ' ' VAL . . . -81.27 -33.37 32.76 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.515 179.003 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 15' ' ' LEU . . . . . 0.628 ' HB2' ' HA ' ' J' ' 12' ' ' VAL . 3.1 mt -55.66 -54.71 40.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.496 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 16' ' ' TYR . . . . . 0.75 ' HB3' ' CE1' ' J' ' 24' ' ' PHE . 6.7 p90 -76.64 -14.47 59.97 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 119.492 -0.883 . . . . 0.0 111.248 -179.289 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 17' ' ' LEU . . . . . 0.552 HD23 HD23 ' D' ' 17' ' ' LEU . 34.7 tp -69.54 -35.29 75.3 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 178.115 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 18' ' ' VAL . . . . . 0.455 HG23 ' O ' ' J' ' 14' ' ' ALA . 94.3 t -67.34 -45.38 86.01 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.124 0 CA-C-N 114.867 -1.06 . . . . 0.0 109.475 178.37 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 19' ' ' CYS . . . . . 0.687 ' HB3' ' HB2' ' J' ' 22' ' ' ARG . 85.7 m -67.72 -43.99 78.7 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.911 179.759 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 20' ' ' GLY . . . . . 0.469 ' HA2' ' HE1' ' L' ' 5' ' ' HIS . . . 69.77 -86.58 0.28 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 121.35 -0.453 . . . . 0.0 112.62 179.372 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 21' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -89.82 -5.89 56.44 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.112 0.482 . . . . 0.0 110.573 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 22' ' ' ARG . . . . . 0.687 ' HB2' ' HB3' ' J' ' 19' ' ' CYS . 19.3 mtt85 -104.48 173.06 6.46 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.903 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 23' ' ' GLY . . . . . 0.84 ' HA2' ' HD2' ' L' ' 28' ' ' PRO . . . -113.28 -159.33 13.56 Favored Glycine 0 N--CA 1.447 -0.587 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 178.79 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 24' ' ' PHE . . . . . 0.75 ' CE1' ' HB3' ' J' ' 16' ' ' TYR . 8.3 p90 -173.91 158.56 3.21 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 117.221 0.51 . . . . 0.0 110.401 179.545 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 25' ' ' PHE . . . . . 0.508 ' HE1' ' HD1' ' I' ' 19' ' ' TYR . 3.8 p90 -105.42 121.78 44.62 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.363 0.601 . . . . 0.0 109.815 178.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 26' ' ' TYR . . . . . 0.571 ' OH ' ' HA3' ' J' ' 8' ' ' GLY . 76.4 t80 -113.32 124.2 51.92 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.077 -178.633 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 27' ' ' THR . . . . . 0.501 HG22 ' HA3' ' L' ' 23' ' ' GLY . 3.2 p -127.38 97.43 31.25 Favored Pre-proline 0 C--N 1.318 -0.785 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.671 179.503 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 28' ' ' PRO . . . . . 0.822 ' HA ' HG21 ' I' ' 3' ' ' VAL . 60.3 Cg_endo -73.54 53.36 2.65 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 123.049 2.499 . . . . 0.0 111.329 179.649 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 29' ' ' LYS . . . . . . . . . . . . . 30.5 tttt -118.09 -33.11 4.53 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.607 -1.178 . . . . 0.0 109.177 -179.23 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 30' ' ' THR . . . . . . . . . . . . . 9.2 m . . . . . 0 C--O 1.245 0.846 0 CA-C-O 118.2 -0.905 . . . . 0.0 108.692 179.716 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.297 0 N-CA-C 111.824 -0.51 . . . . 0.0 111.824 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' K' K ' 2' ' ' ILE . . . . . . . . . . . . . 4.3 tt -150.94 -40.82 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 C-N-CA 121.014 -0.274 . . . . 0.0 111.546 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 3' ' ' VAL . . . . . 0.817 HG21 ' HA ' ' L' ' 28' ' ' PRO . 3.2 t -83.12 -38.34 14.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -178.762 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' K' K ' 4' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -60.48 -44.07 96.3 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.869 0.366 . . . . 0.0 111.334 -179.082 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 5' ' ' GLN . . . . . 0.484 ' HG3' ' SG ' ' K' ' 11' ' ' CYS . 3.2 pt20 -73.35 -22.7 60.24 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 -179.035 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' K' K ' 6' ' ' CYS . . . . . . . . . . . . . 93.7 m -100.3 -32.9 10.63 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 113.464 0.913 . . . . 0.0 113.464 -177.238 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 7' ' ' CYS . . . . . 0.582 ' HB2' HD11 ' L' ' 11' ' ' LEU . 49.5 t -76.88 1.79 16.5 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -178.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' K' K ' 8' ' ' THR . . . . . 0.52 HG23 ' H ' ' K' ' 9' ' ' SER . 1.7 t -90.15 -65.18 1.04 Allowed 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.355 -0.538 . . . . 0.0 110.578 179.266 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' K' K ' 9' ' ' SER . . . . . 0.52 ' H ' HG23 ' K' ' 8' ' ' THR . 24.3 m -140.19 30.7 1.97 Allowed 'General case' 0 C--N 1.328 -0.341 0 O-C-N 122.178 -0.326 . . . . 0.0 111.606 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' K' K ' 10' ' ' ILE . . . . . 0.444 HG23 ' C1 ' ' K' ' 22' ' ' IPH . 2.5 mp 70.97 144.47 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 CA-C-O 121.431 0.634 . . . . 0.0 111.474 179.441 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' K' K ' 11' ' ' CYS . . . . . 0.484 ' SG ' ' HG3' ' K' ' 5' ' ' GLN . 89.1 m -101.66 168.14 9.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.198 0.523 . . . . 0.0 111.793 -179.458 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' K' K ' 12' ' ' SER . . . . . 0.621 ' HB3' ' HG3' ' K' ' 15' ' ' GLN . 29.1 t -80.36 154.72 27.57 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.626 -0.716 . . . . 0.0 109.485 178.551 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' K' K ' 13' ' ' LEU . . . . . . . . . . . . . 21.2 tp -55.3 -45.82 76.26 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.419 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -65.47 -25.86 67.68 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.143 -178.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 15' ' ' GLN . . . . . 0.621 ' HG3' ' HB3' ' K' ' 12' ' ' SER . 76.4 mt-30 -73.14 -40.16 65.1 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.649 0.261 . . . . 0.0 110.377 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' K' K ' 16' ' ' LEU . . . . . . . . . . . . . 80.7 mt -67.67 -35.0 78.05 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.082 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 17' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -57.54 -24.44 56.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.699 -0.682 . . . . 0.0 112.239 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 18' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -71.65 -15.89 62.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.825 0.345 . . . . 0.0 111.152 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 19' ' ' TYR . . . . . 0.511 ' HD1' ' HE1' ' L' ' 25' ' ' PHE . 58.0 m-85 -106.31 -3.23 21.4 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.982 -179.071 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' K' K ' 20' ' ' CYS . . . . . . . . . . . . . 11.6 t -74.26 149.16 40.9 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.206 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 21' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 . . . . . 0 C--O 1.25 1.126 0 CA-C-O 118.679 -0.677 . . . . 0.0 110.105 -179.463 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' L' L ' 1' ' ' PHE . . . . . . . . . . . . . 6.6 p90 . . . . . 0 N--CA 1.485 1.289 0 N-CA-C 111.814 0.301 . . . . 0.0 111.814 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' L' L ' 2' ' ' VAL . . . . . 0.714 HG11 HD12 ' L' ' 6' ' ' LEU . 27.3 m 39.08 -137.17 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 124.274 1.029 . . . . 0.0 113.345 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 3' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -159.16 -172.34 3.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.741 0.305 . . . . 0.0 110.393 -178.416 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 4' ' ' GLN . . . . . 0.45 ' HG3' ' CG1' ' K' ' 3' ' ' VAL . 6.3 tt0 -49.43 -33.94 15.33 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 124.301 1.04 . . . . 0.0 111.49 179.041 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 5' ' ' HIS . . . . . 0.469 ' HE1' ' HA2' ' J' ' 20' ' ' GLY . 56.8 t60 -58.55 -15.52 11.66 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 115.342 -0.844 . . . . 0.0 112.998 -178.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 6' ' ' LEU . . . . . 0.761 HD21 ' H4 ' ' C' ' 22' ' ' IPH . 42.5 mt -126.8 -21.34 4.07 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.364 0.602 . . . . 0.0 110.818 179.18 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 7' ' ' CYS . . . . . 0.536 ' SG ' HG13 ' H' ' 2' ' ' VAL . 1.4 t -75.4 -33.43 60.98 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.585 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 8' ' ' GLY . . . . . 0.573 ' HA3' ' OH ' ' L' ' 26' ' ' TYR . . . -70.14 -22.77 77.43 Favored Glycine 0 N--CA 1.447 -0.584 0 CA-C-N 115.716 -0.675 . . . . 0.0 113.729 -179.709 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 9' ' ' SER . . . . . 0.874 ' HB2' ' HG2' ' J' ' 13' ' ' GLU . 19.9 p -65.79 -16.0 63.4 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 117.297 0.548 . . . . 0.0 110.752 -179.552 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 10' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -106.1 -20.96 13.25 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.752 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 11' ' ' LEU . . . . . 0.582 HD11 ' HB2' ' K' ' 7' ' ' CYS . 72.6 mt -68.06 -37.46 81.31 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 177.253 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 12' ' ' VAL . . . . . 0.642 ' HA ' ' HB2' ' L' ' 15' ' ' LEU . 4.8 m -67.21 -33.27 61.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 115.074 -0.966 . . . . 0.0 111.848 179.599 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 13' ' ' GLU . . . . . 0.869 ' HG2' ' HB2' ' J' ' 9' ' ' SER . 43.2 mt-10 -56.71 -42.07 78.5 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-O 121.315 0.579 . . . . 0.0 110.185 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 14' ' ' ALA . . . . . 0.462 ' O ' HG23 ' L' ' 18' ' ' VAL . . . -81.35 -33.49 32.38 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.61 178.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 15' ' ' LEU . . . . . 0.642 ' HB2' ' HA ' ' L' ' 12' ' ' VAL . 3.0 mt -55.39 -54.67 40.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.491 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 16' ' ' TYR . . . . . 0.759 ' HB3' ' CE1' ' L' ' 24' ' ' PHE . 6.6 p90 -76.96 -14.55 59.84 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 119.721 -0.792 . . . . 0.0 111.152 -179.311 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 17' ' ' LEU . . . . . 0.542 HD23 HD23 ' F' ' 17' ' ' LEU . 32.7 tp -69.65 -34.59 74.23 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 177.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 18' ' ' VAL . . . . . 0.462 HG23 ' O ' ' L' ' 14' ' ' ALA . 94.4 t -67.91 -45.2 84.39 Favored 'Isoleucine or valine' 0 C--O 1.231 0.12 0 CA-C-N 115.111 -0.95 . . . . 0.0 109.53 178.221 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 19' ' ' CYS . . . . . 0.682 ' HB3' ' HB2' ' L' ' 22' ' ' ARG . 89.3 m -68.38 -42.33 79.28 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.069 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 20' ' ' GLY . . . . . 0.418 ' HA2' ' HE1' ' J' ' 5' ' ' HIS . . . 67.72 -86.21 0.16 Allowed Glycine 0 N--CA 1.451 -0.314 0 CA-C-N 116.262 -0.426 . . . . 0.0 113.004 179.422 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 21' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -88.89 -7.46 56.06 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.638 0.256 . . . . 0.0 110.687 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 22' ' ' ARG . . . . . 0.682 ' HB2' ' HB3' ' L' ' 19' ' ' CYS . 19.6 mtt85 -103.55 173.72 6.18 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.167 -179.71 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 23' ' ' GLY . . . . . 0.822 ' HA2' ' HD2' ' J' ' 28' ' ' PRO . . . -113.83 -159.25 13.11 Favored Glycine 0 N--CA 1.449 -0.498 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 178.807 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 24' ' ' PHE . . . . . 0.759 ' CE1' ' HB3' ' L' ' 16' ' ' TYR . 8.9 p90 -173.68 158.78 3.4 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 117.145 0.472 . . . . 0.0 110.485 179.438 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 25' ' ' PHE . . . . . 0.511 ' HE1' ' HD1' ' K' ' 19' ' ' TYR . 3.8 p90 -104.99 123.9 48.59 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 178.777 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 26' ' ' TYR . . . . . 0.573 ' OH ' ' HA3' ' L' ' 8' ' ' GLY . 77.9 t80 -115.72 123.44 48.29 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.998 -178.511 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 27' ' ' THR . . . . . 0.468 HG22 ' HA3' ' J' ' 23' ' ' GLY . 5.5 p -126.59 97.41 33.62 Favored Pre-proline 0 C--N 1.317 -0.834 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.812 179.618 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 28' ' ' PRO . . . . . 0.84 ' HD2' ' HA2' ' J' ' 23' ' ' GLY . 61.6 Cg_endo -73.6 52.69 2.53 Favored 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 122.978 2.452 . . . . 0.0 111.435 179.629 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 29' ' ' LYS . . . . . . . . . . . . . 29.3 tttt -117.55 -32.7 4.81 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.621 -1.172 . . . . 0.0 109.265 -179.208 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 30' ' ' THR . . . . . . . . . . . . . 7.7 m . . . . . 0 C--O 1.245 0.843 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 179.476 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 22' ' ' IPH . . . . . 0.775 ' H4 ' HD21 ' F' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 22' ' ' IPH . . . . . 0.761 ' H4 ' HD21 ' L' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 22' ' ' IPH . . . . . 0.767 ' H4 ' HD21 ' J' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 22' ' ' IPH . . . . . 0.744 ' H4 ' HD21 ' D' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 22' ' ' IPH . . . . . 0.752 ' H4 ' HD21 ' B' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 22' ' ' IPH . . . . . 0.77 ' H4 ' HD21 ' H' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.23 0 N-CA-C 111.475 -0.65 . . . . 0.0 111.475 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.9 tt 177.61 -40.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.414 0.626 . . . . 0.0 110.524 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 97.3 t -59.92 -34.21 55.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.303 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.532 ' CD ' ' H ' ' A' ' 4' ' ' GLU . 2.5 mp0 -57.63 -22.99 48.76 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 113.072 0.768 . . . . 0.0 113.072 -179.041 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.448 ' HG3' ' SG ' ' A' ' 11' ' ' CYS . 14.5 pt20 -124.93 -38.23 2.37 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -178.721 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 78.7 m -78.89 -25.54 43.84 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.052 0.389 . . . . 0.0 112.052 -178.467 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.795 ' HB2' HD11 ' B' ' 11' ' ' LEU . 41.0 t -98.04 -6.47 31.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.955 0.407 . . . . 0.0 111.297 -179.698 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.7 p -90.97 -61.36 1.69 Allowed 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.117 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.486 ' O ' ' HB ' ' A' ' 10' ' ' ILE . 13.3 p -130.06 15.39 5.71 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -179.488 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.549 HD11 ' HB ' ' F' ' 2' ' ' VAL . 2.2 mp 73.5 136.03 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-O 121.46 0.647 . . . . 0.0 111.402 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.448 ' SG ' ' HG3' ' A' ' 5' ' ' GLN . 91.2 m -91.79 158.81 16.14 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.793 179.407 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 26.1 t -74.99 166.45 23.64 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.179 179.347 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.2 tt -57.98 -60.41 3.76 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.311 -179.246 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -65.38 -19.43 65.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.017 0.437 . . . . 0.0 110.978 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -75.31 -31.45 60.65 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.252 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 84.2 mt -71.74 -29.69 64.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.134 0.492 . . . . 0.0 110.045 178.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -63.76 -15.95 59.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.436 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -69.39 -18.5 63.77 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.196 0.522 . . . . 0.0 110.292 178.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 55.3 m-85 -104.44 -2.79 24.87 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.145 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.424 ' HA ' ' CB ' ' B' ' 24' ' ' PHE . 3.7 t -88.33 -176.33 5.32 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.613 179.642 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 48.0 m-20 . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.459 -0.781 . . . . 0.0 110.813 179.768 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 49.2 t80 . . . . . 0 N--CA 1.483 1.192 0 N-CA-C 110.549 -0.167 . . . . 0.0 110.549 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.522 ' HB ' HD11 ' I' ' 10' ' ' ILE . 11.5 m 47.97 -159.16 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 C-N-CA 124.587 1.155 . . . . 0.0 112.677 -179.352 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 3' ' ' ASN . . . . . 0.472 ' CG ' ' H ' ' B' ' 4' ' ' GLN . 43.3 t30 -150.33 -167.58 2.86 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.955 0.407 . . . . 0.0 111.079 -178.161 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 4' ' ' GLN . . . . . 0.472 ' H ' ' CG ' ' B' ' 3' ' ' ASN . 29.0 tt0 -49.1 -35.91 17.45 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 124.019 0.928 . . . . 0.0 112.297 179.612 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 5' ' ' HIS . . . . . 0.595 ' CE1' ' HG ' ' D' ' 17' ' ' LEU . 19.1 t-80 -59.0 -18.29 32.89 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -178.61 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.516 HD12 HG11 ' B' ' 2' ' ' VAL . 25.2 mt -120.07 -20.22 7.51 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.142 0.496 . . . . 0.0 110.802 179.072 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 7' ' ' CYS . . . . . 0.458 ' O ' ' HG ' ' B' ' 11' ' ' LEU . 36.6 t -75.88 -44.3 41.28 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.568 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 8' ' ' GLY . . . . . 0.585 ' O ' HG22 ' B' ' 12' ' ' VAL . . . -61.24 -27.24 67.2 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 121.168 -0.539 . . . . 0.0 112.798 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 9' ' ' SER . . . . . 0.428 ' O ' ' HG2' ' D' ' 13' ' ' GLU . 7.1 m -57.67 -27.23 62.68 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 122.96 0.504 . . . . 0.0 111.209 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 10' ' ' HIS . . . . . 0.624 ' HA ' ' HG3' ' B' ' 13' ' ' GLU . 95.1 m-70 -104.63 -12.08 16.59 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.454 -178.596 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.826 ' HA ' ' H5 ' ' A' ' 22' ' ' IPH . 47.3 mt -74.32 -38.18 63.37 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 177.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.585 HG22 ' O ' ' B' ' 8' ' ' GLY . 0.7 OUTLIER -67.78 -30.3 48.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.082 -0.963 . . . . 0.0 111.941 179.723 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.624 ' HG3' ' HA ' ' B' ' 10' ' ' HIS . 25.7 mt-10 -57.39 -54.99 40.57 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 121.079 0.466 . . . . 0.0 109.831 179.792 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.16 -32.9 72.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.905 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.564 ' HB2' ' HA ' ' B' ' 12' ' ' VAL . 2.5 mt -52.78 -62.68 1.49 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.047 -0.524 . . . . 0.0 112.013 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 16' ' ' TYR . . . . . 0.74 ' HB3' ' CE1' ' B' ' 24' ' ' PHE . 3.2 p90 -76.67 -16.37 59.55 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 119.813 -0.755 . . . . 0.0 111.166 -179.094 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.493 ' HB2' ' O ' ' B' ' 13' ' ' GLU . 7.9 tt -68.36 -40.29 81.54 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 178.815 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 52.2 t -67.67 -43.78 86.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.692 178.481 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' CYS . . . . . 0.994 ' HB3' ' HB3' ' B' ' 22' ' ' ARG . 73.6 m -67.66 -37.84 82.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.273 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.53 -108.03 2.59 Favored Glycine 0 N--CA 1.451 -0.336 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -179.488 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.522 ' O ' ' HD2' ' D' ' 29' ' ' LYS . 56.0 mt-10 -96.85 51.8 1.15 Allowed 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 178.134 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 22' ' ' ARG . . . . . 0.994 ' HB3' ' HB3' ' B' ' 19' ' ' CYS . 74.7 ttt180 -140.96 131.02 24.66 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.799 -1.091 . . . . 0.0 109.181 -178.576 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 23' ' ' GLY . . . . . 0.659 ' HA3' HG22 ' D' ' 27' ' ' THR . . . -83.36 170.86 49.34 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.673 -0.775 . . . . 0.0 113.477 -178.487 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 24' ' ' PHE . . . . . 0.74 ' CE1' ' HB3' ' B' ' 16' ' ' TYR . 11.2 p90 -154.43 170.72 20.71 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-O 121.124 0.488 . . . . 0.0 110.295 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -116.66 132.59 56.65 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -129.96 119.16 22.77 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.122 0.487 . . . . 0.0 110.997 -179.478 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' THR . . . . . 0.661 HG22 ' HA3' ' D' ' 23' ' ' GLY . 9.3 p -123.1 101.85 38.03 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.39 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 28' ' ' PRO . . . . . 0.588 ' HD2' ' HA2' ' D' ' 23' ' ' GLY . 90.4 Cg_endo -78.84 50.72 3.55 Favored 'Trans proline' 0 C--O 1.234 0.281 0 C-N-CA 122.527 2.151 . . . . 0.0 111.743 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.503 ' HD2' ' O ' ' D' ' 21' ' ' GLU . 63.2 tttm -153.01 92.55 1.64 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.388 -179.497 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 5.2 m . . . . . 0 C--O 1.25 1.117 0 CA-C-O 118.105 -0.95 . . . . 0.0 110.234 -178.848 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.656 0 N-CA-C 112.56 -0.216 . . . . 0.0 112.56 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 7.9 tt 179.82 -40.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 121.161 0.505 . . . . 0.0 110.174 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 96.5 t -59.76 -33.41 52.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.366 -179.626 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 4' ' ' GLU . . . . . 0.498 ' CD ' ' H ' ' C' ' 4' ' ' GLU . 2.3 mp0 -57.76 -24.83 58.99 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.772 -178.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 5' ' ' GLN . . . . . 0.454 ' HG3' ' SG ' ' C' ' 11' ' ' CYS . 14.2 pt20 -123.33 -38.04 2.61 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 -179.055 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 76.5 m -78.59 -25.29 45.21 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -178.372 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 7' ' ' CYS . . . . . 0.784 ' HB2' HD11 ' D' ' 11' ' ' LEU . 41.1 t -98.19 -6.18 31.86 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.199 -179.719 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 2.8 p -91.26 -61.15 1.72 Allowed 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.726 -0.39 . . . . 0.0 111.232 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 9' ' ' SER . . . . . 0.507 ' O ' ' HB ' ' C' ' 10' ' ' ILE . 15.3 p -130.39 16.02 5.5 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -179.495 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 10' ' ' ILE . . . . . 0.538 HD11 ' HB ' ' L' ' 2' ' ' VAL . 2.2 mp 73.15 136.71 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-O 121.413 0.625 . . . . 0.0 111.504 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 11' ' ' CYS . . . . . 0.454 ' SG ' ' HG3' ' C' ' 5' ' ' GLN . 95.3 m -92.42 158.5 16.02 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.693 179.286 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 25.1 t -74.92 166.98 22.78 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.128 179.276 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 10.3 tt -58.21 -60.15 4.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.337 -179.189 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -65.68 -19.72 66.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.195 0.521 . . . . 0.0 110.901 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -74.88 -32.02 61.75 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.245 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 79.9 mt -70.94 -29.55 65.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.174 178.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -63.88 -15.99 60.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.548 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -68.99 -19.03 64.14 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 121.143 0.497 . . . . 0.0 110.442 178.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -104.01 -2.44 26.03 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.072 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 20' ' ' CYS . . . . . 0.424 ' HA ' ' HB3' ' D' ' 24' ' ' PHE . 3.9 t -89.3 -178.5 5.64 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.157 -0.929 . . . . 0.0 109.663 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 65.4 m-20 . . . . . 0 C--O 1.251 1.165 0 CA-C-O 118.443 -0.789 . . . . 0.0 110.523 179.828 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 48.6 t80 . . . . . 0 N--CA 1.485 1.275 0 CA-C-O 120.572 0.225 . . . . 0.0 110.727 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 2' ' ' VAL . . . . . 0.543 ' HB ' HD11 ' G' ' 10' ' ' ILE . 11.9 m 47.0 -158.88 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 124.562 1.145 . . . . 0.0 112.723 -179.543 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 3' ' ' ASN . . . . . 0.456 ' CG ' ' H ' ' D' ' 4' ' ' GLN . 39.4 t30 -150.14 -167.64 2.88 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.902 0.382 . . . . 0.0 111.192 -178.279 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 4' ' ' GLN . . . . . 0.456 ' H ' ' CG ' ' D' ' 3' ' ' ASN . 30.0 tt0 -48.95 -36.68 17.99 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 123.983 0.913 . . . . 0.0 112.167 179.707 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 5' ' ' HIS . . . . . 0.451 ' CD2' HG21 ' G' ' 10' ' ' ILE . 57.5 t60 -58.27 -18.42 26.69 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 112.751 0.649 . . . . 0.0 112.751 -178.685 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 6' ' ' LEU . . . . . 0.519 HD12 HG11 ' D' ' 2' ' ' VAL . 25.1 mt -119.8 -20.41 7.61 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.368 0.604 . . . . 0.0 110.814 179.16 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 7' ' ' CYS . . . . . 0.463 ' O ' ' HG ' ' D' ' 11' ' ' LEU . 36.7 t -75.67 -44.41 42.47 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.59 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 8' ' ' GLY . . . . . 0.58 ' O ' HG22 ' D' ' 12' ' ' VAL . . . -61.46 -26.7 66.75 Favored Glycine 0 C--N 1.332 0.307 0 C-N-CA 121.277 -0.487 . . . . 0.0 112.697 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 9' ' ' SER . . . . . 0.449 ' O ' ' HG2' ' B' ' 13' ' ' GLU . 5.6 m -58.1 -27.07 63.37 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.08 0.467 . . . . 0.0 111.29 -179.753 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 10' ' ' HIS . . . . . 0.651 ' HA ' ' HG3' ' D' ' 13' ' ' GLU . 94.7 m-70 -104.83 -12.06 16.47 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.463 -178.535 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 11' ' ' LEU . . . . . 0.854 ' HA ' ' H5 ' ' C' ' 22' ' ' IPH . 48.2 mt -74.23 -38.45 63.52 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 177.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 12' ' ' VAL . . . . . 0.58 HG22 ' O ' ' D' ' 8' ' ' GLY . 0.7 OUTLIER -67.49 -30.26 48.3 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-N 115.124 -0.944 . . . . 0.0 112.025 179.643 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 13' ' ' GLU . . . . . 0.651 ' HG3' ' HA ' ' D' ' 10' ' ' HIS . 25.2 mt-10 -57.27 -55.14 38.66 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.2 -32.63 72.04 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.93 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 15' ' ' LEU . . . . . 0.565 ' HB2' ' HA ' ' D' ' 12' ' ' VAL . 2.6 mt -52.93 -63.25 1.21 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.9 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 16' ' ' TYR . . . . . 0.742 ' HB3' ' CE1' ' D' ' 24' ' ' PHE . 3.2 p90 -76.03 -16.26 59.98 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.026 -0.669 . . . . 0.0 111.153 -178.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 17' ' ' LEU . . . . . 0.595 ' HG ' ' CE1' ' B' ' 5' ' ' HIS . 8.1 tt -68.71 -40.87 79.78 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 178.79 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 52.8 t -66.94 -44.36 88.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.353 -0.839 . . . . 0.0 109.661 178.229 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 19' ' ' CYS . . . . . 0.992 ' HB3' ' HB3' ' D' ' 22' ' ' ARG . 75.1 m -67.32 -37.94 84.13 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.434 179.777 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.51 -107.75 2.53 Favored Glycine 0 N--CA 1.451 -0.364 0 N-CA-C 111.452 -0.659 . . . . 0.0 111.452 -179.325 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 21' ' ' GLU . . . . . 0.503 ' O ' ' HD2' ' B' ' 29' ' ' LYS . 52.4 mt-10 -96.94 51.43 1.13 Allowed 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 178.213 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 22' ' ' ARG . . . . . 0.992 ' HB3' ' HB3' ' D' ' 19' ' ' CYS . 74.5 ttt180 -140.41 132.66 28.19 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 114.825 -1.08 . . . . 0.0 109.006 -178.544 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 23' ' ' GLY . . . . . 0.661 ' HA3' HG22 ' B' ' 27' ' ' THR . . . -84.44 170.56 46.7 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.803 -0.713 . . . . 0.0 113.396 -178.662 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 24' ' ' PHE . . . . . 0.742 ' CE1' ' HB3' ' D' ' 16' ' ' TYR . 10.9 p90 -154.4 170.8 20.49 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-O 121.166 0.508 . . . . 0.0 110.505 179.728 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 25' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -116.7 132.19 56.75 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.292 179.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 26' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -129.51 119.31 23.5 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.211 0.529 . . . . 0.0 110.998 -179.47 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 27' ' ' THR . . . . . 0.659 HG22 ' HA3' ' B' ' 23' ' ' GLY . 6.7 p -123.53 101.78 36.74 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.344 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 28' ' ' PRO . . . . . 0.569 ' HD2' ' HA2' ' B' ' 23' ' ' GLY . 95.6 Cg_endo -79.47 51.58 3.94 Favored 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 122.76 2.307 . . . . 0.0 111.686 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 29' ' ' LYS . . . . . 0.522 ' HD2' ' O ' ' B' ' 21' ' ' GLU . 63.0 tttm -154.08 90.09 1.34 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.853 -179.364 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 16.0 m . . . . . 0 C--O 1.252 1.186 0 CA-C-O 118.167 -0.921 . . . . 0.0 110.162 -179.074 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.556 0 CA-C-O 121.104 0.28 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' E' E ' 2' ' ' ILE . . . . . . . . . . . . . 7.6 tt -178.1 -39.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.15 0.5 . . . . 0.0 110.246 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 91.7 t -59.84 -33.47 52.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.487 -0.778 . . . . 0.0 111.5 -179.484 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 4' ' ' GLU . . . . . 0.496 ' CD ' ' H ' ' E' ' 4' ' ' GLU . 2.4 mp0 -58.39 -23.15 56.25 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -178.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 5' ' ' GLN . . . . . 0.453 ' HG3' ' SG ' ' E' ' 11' ' ' CYS . 14.6 pt20 -124.28 -38.64 2.41 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -179.056 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 6' ' ' CYS . . . . . . . . . . . . . 79.4 m -78.63 -25.04 44.99 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -178.43 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 7' ' ' CYS . . . . . 0.773 ' HB2' HD11 ' F' ' 11' ' ' LEU . 41.5 t -98.02 -6.86 31.04 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.998 0.428 . . . . 0.0 111.375 -179.787 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 2.7 p -90.71 -62.33 1.48 Allowed 'General case' 0 C--N 1.323 -0.554 0 O-C-N 122.158 -0.339 . . . . 0.0 111.114 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 9' ' ' SER . . . . . 0.48 ' O ' ' HB ' ' E' ' 10' ' ' ILE . 17.5 p -129.37 16.85 6.01 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -179.534 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 10' ' ' ILE . . . . . 0.533 HD11 ' HB ' ' J' ' 2' ' ' VAL . 2.2 mp 72.46 138.22 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 CA-C-O 121.449 0.642 . . . . 0.0 111.485 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 11' ' ' CYS . . . . . 0.453 ' SG ' ' HG3' ' E' ' 5' ' ' GLN . 89.3 m -93.89 158.45 15.64 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.73 179.35 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 12' ' ' SER . . . . . . . . . . . . . 22.8 t -74.77 166.18 24.03 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.14 179.22 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 10.2 tt -57.29 -60.6 3.38 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.456 -179.077 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -65.02 -20.24 66.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.294 0.568 . . . . 0.0 110.88 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -74.42 -32.19 62.57 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.286 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 16' ' ' LEU . . . . . . . . . . . . . 82.7 mt -71.16 -29.75 65.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.165 178.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 17' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -63.67 -17.65 63.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.411 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 18' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -67.11 -20.56 65.8 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.125 0.488 . . . . 0.0 110.493 178.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 19' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -102.79 -0.67 31.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.409 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 20' ' ' CYS . . . . . 0.423 ' HA ' ' HB3' ' F' ' 24' ' ' PHE . 3.9 t -90.56 -177.12 4.96 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.544 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 21' ' ' ASN . . . . . . . . . . . . . 60.5 m-20 . . . . . 0 C--O 1.245 0.854 0 CA-C-O 118.67 -0.681 . . . . 0.0 110.397 179.603 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' F' F ' 1' ' ' PHE . . . . . . . . . . . . . 47.2 t80 . . . . . 0 N--CA 1.48 1.066 0 CA-C-O 120.46 0.171 . . . . 0.0 110.813 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' F' F ' 2' ' ' VAL . . . . . 0.549 ' HB ' HD11 ' A' ' 10' ' ' ILE . 10.9 m 47.88 -158.55 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 124.716 1.206 . . . . 0.0 112.679 -179.42 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 3' ' ' ASN . . . . . 0.432 ' CG ' ' H ' ' F' ' 4' ' ' GLN . 36.0 t30 -151.38 -167.9 2.93 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.848 0.356 . . . . 0.0 111.047 -178.092 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 4' ' ' GLN . . . . . 0.432 ' H ' ' CG ' ' F' ' 3' ' ' ASN . 29.4 tt0 -48.28 -37.21 15.75 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 124.07 0.948 . . . . 0.0 112.252 179.747 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 5' ' ' HIS . . . . . 0.624 ' CE1' ' HG ' ' H' ' 17' ' ' LEU . 17.7 t-80 -57.85 -18.98 25.73 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -178.648 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 6' ' ' LEU . . . . . 0.507 HD12 HG11 ' F' ' 2' ' ' VAL . 26.2 mt -119.43 -19.75 8.09 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.266 0.555 . . . . 0.0 110.964 179.131 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 7' ' ' CYS . . . . . 0.452 ' O ' ' HG ' ' F' ' 11' ' ' LEU . 35.7 t -76.12 -44.66 37.5 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.667 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 8' ' ' GLY . . . . . 0.574 ' O ' HG22 ' F' ' 12' ' ' VAL . . . -60.99 -26.88 66.21 Favored Glycine 0 N--CA 1.453 -0.216 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.676 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 9' ' ' SER . . . . . 0.435 ' O ' ' HG2' ' H' ' 13' ' ' GLU . 6.8 m -57.85 -27.45 63.24 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 123.047 0.539 . . . . 0.0 111.124 -179.644 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 10' ' ' HIS . . . . . 0.637 ' HA ' ' HG3' ' F' ' 13' ' ' GLU . 94.9 m-70 -104.53 -12.2 16.6 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.538 -178.598 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 11' ' ' LEU . . . . . 0.857 ' HA ' ' H5 ' ' E' ' 22' ' ' IPH . 46.2 mt -74.29 -38.16 63.45 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 177.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 12' ' ' VAL . . . . . 0.574 HG22 ' O ' ' F' ' 8' ' ' GLY . 0.8 OUTLIER -67.76 -30.24 47.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.257 -0.883 . . . . 0.0 112.14 179.694 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' F' F ' 13' ' ' GLU . . . . . 0.637 ' HG3' ' HA ' ' F' ' 10' ' ' HIS . 25.5 mt-10 -57.35 -55.26 37.11 Favored 'General case' 0 CA--C 1.519 -0.232 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.19 -32.39 71.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.1 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 15' ' ' LEU . . . . . 0.556 ' HB2' ' HA ' ' F' ' 12' ' ' VAL . 2.2 mt -52.93 -62.9 1.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.944 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 16' ' ' TYR . . . . . 0.739 ' HB3' ' CE1' ' F' ' 24' ' ' PHE . 3.2 p90 -76.18 -16.82 59.78 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.048 -0.661 . . . . 0.0 111.019 -179.235 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 17' ' ' LEU . . . . . 0.592 ' HG ' ' CE1' ' H' ' 5' ' ' HIS . 8.2 tt -68.42 -39.38 81.6 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 178.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 54.2 t -68.63 -42.87 83.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.496 -0.774 . . . . 0.0 109.755 178.274 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 19' ' ' CYS . . . . . 0.98 ' HB3' ' HB3' ' F' ' 22' ' ' ARG . 73.4 m -68.74 -36.86 78.94 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.578 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.81 -108.47 2.62 Favored Glycine 0 N--CA 1.45 -0.407 0 N-CA-C 111.383 -0.687 . . . . 0.0 111.383 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 21' ' ' GLU . . . . . 0.499 ' O ' ' HD2' ' H' ' 29' ' ' LYS . 55.8 mt-10 -96.24 51.37 1.21 Allowed 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 178.047 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 22' ' ' ARG . . . . . 0.98 ' HB3' ' HB3' ' F' ' 19' ' ' CYS . 74.2 ttt180 -140.27 131.44 26.47 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.892 -1.049 . . . . 0.0 109.13 -178.619 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 23' ' ' GLY . . . . . 0.684 ' HA3' HG22 ' H' ' 27' ' ' THR . . . -83.01 170.99 50.24 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.872 -0.68 . . . . 0.0 113.335 -178.721 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 24' ' ' PHE . . . . . 0.739 ' CE1' ' HB3' ' F' ' 16' ' ' TYR . 11.1 p90 -155.15 170.21 22.34 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-O 121.037 0.446 . . . . 0.0 110.183 179.715 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 25' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -116.33 132.03 56.78 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.208 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 26' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -129.0 119.85 24.99 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.183 0.516 . . . . 0.0 110.916 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 27' ' ' THR . . . . . 0.697 HG22 ' HA3' ' H' ' 23' ' ' GLY . 7.6 p -123.96 101.74 35.39 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.54 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 28' ' ' PRO . . . . . 0.582 ' HD2' ' HA2' ' H' ' 23' ' ' GLY . 88.5 Cg_endo -79.3 52.39 4.26 Favored 'Trans proline' 0 C--O 1.234 0.31 0 C-N-CA 122.785 2.323 . . . . 0.0 111.68 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 29' ' ' LYS . . . . . 0.529 ' HD2' ' O ' ' H' ' 21' ' ' GLU . 62.2 tttm -155.07 91.5 1.36 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.527 -179.485 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 30' ' ' THR . . . . . . . . . . . . . 5.5 m . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.165 -0.921 . . . . 0.0 110.264 -179.011 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' G' G ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.734 0 N-CA-C 112.615 -0.194 . . . . 0.0 112.615 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' G' G ' 2' ' ' ILE . . . . . . . . . . . . . 7.6 tt -179.94 -39.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.401 0.619 . . . . 0.0 110.276 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 3' ' ' VAL . . . . . 0.406 ' O ' ' HB3' ' G' ' 7' ' ' CYS . 98.6 t -60.11 -33.61 53.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.479 -179.782 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 4' ' ' GLU . . . . . 0.51 ' CD ' ' H ' ' G' ' 4' ' ' GLU . 2.3 mp0 -58.25 -23.21 55.24 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.97 0.73 . . . . 0.0 112.97 -178.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 5' ' ' GLN . . . . . 0.453 ' HG3' ' SG ' ' G' ' 11' ' ' CYS . 14.7 pt20 -124.38 -38.97 2.37 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -179.227 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 6' ' ' CYS . . . . . . . . . . . . . 82.5 m -78.17 -24.19 47.36 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -178.411 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 7' ' ' CYS . . . . . 0.795 ' HB2' HD11 ' H' ' 11' ' ' LEU . 41.6 t -99.36 -6.36 27.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.069 0.461 . . . . 0.0 111.309 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 8' ' ' THR . . . . . . . . . . . . . 2.0 p -90.65 -62.32 1.48 Allowed 'General case' 0 C--N 1.323 -0.564 0 O-C-N 122.09 -0.381 . . . . 0.0 110.996 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 9' ' ' SER . . . . . 0.507 ' O ' ' HB ' ' G' ' 10' ' ' ILE . 17.0 p -129.49 15.22 6.04 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -179.478 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 10' ' ' ILE . . . . . 0.543 HD11 ' HB ' ' D' ' 2' ' ' VAL . 2.2 mp 74.34 136.96 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 CA-C-O 121.483 0.658 . . . . 0.0 111.524 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 11' ' ' CYS . . . . . 0.453 ' SG ' ' HG3' ' G' ' 5' ' ' GLN . 92.1 m -92.43 159.81 15.37 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.647 179.343 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 12' ' ' SER . . . . . . . . . . . . . 22.8 t -76.12 167.84 21.13 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.286 -0.415 . . . . 0.0 109.966 179.305 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 13' ' ' LEU . . . . . . . . . . . . . 10.3 tt -58.98 -60.37 3.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.436 -179.113 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 3.4 p90 -64.8 -20.75 66.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.133 0.492 . . . . 0.0 110.769 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -73.77 -32.78 63.96 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.331 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 16' ' ' LEU . . . . . . . . . . . . . 82.4 mt -70.73 -29.72 66.05 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.211 178.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 17' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -63.61 -16.58 61.27 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.514 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 18' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -68.56 -18.35 64.32 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.083 0.468 . . . . 0.0 110.514 178.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 19' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -104.87 -1.19 26.3 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.979 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 20' ' ' CYS . . . . . 0.408 ' HA ' ' CB ' ' H' ' 24' ' ' PHE . 3.7 t -90.59 -178.79 5.39 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.475 179.674 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 21' ' ' ASN . . . . . . . . . . . . . 63.4 m-20 . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.577 -0.725 . . . . 0.0 110.548 179.824 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' H' H ' 1' ' ' PHE . . . . . . . . . . . . . 48.0 t80 . . . . . 0 N--CA 1.482 1.147 0 CA-C-O 120.561 0.219 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' H' H ' 2' ' ' VAL . . . . . 0.532 ' HB ' HD11 ' K' ' 10' ' ' ILE . 11.4 m 47.99 -159.09 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 124.548 1.139 . . . . 0.0 112.7 -179.461 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 3' ' ' ASN . . . . . 0.46 ' CG ' ' H ' ' H' ' 4' ' ' GLN . 37.3 t30 -150.51 -167.7 2.89 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.904 -0.318 . . . . 0.0 111.278 -178.204 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 4' ' ' GLN . . . . . 0.46 ' H ' ' CG ' ' H' ' 3' ' ' ASN . 28.7 tt0 -48.58 -36.77 16.3 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 124.0 0.92 . . . . 0.0 112.134 179.641 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 5' ' ' HIS . . . . . 0.592 ' CE1' ' HG ' ' F' ' 17' ' ' LEU . 18.3 t-80 -58.55 -18.14 27.2 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 -178.484 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 6' ' ' LEU . . . . . 0.527 HD12 HG11 ' H' ' 2' ' ' VAL . 24.2 mt -120.34 -20.04 7.41 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.217 0.532 . . . . 0.0 110.673 179.225 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 7' ' ' CYS . . . . . 0.45 ' O ' ' HG ' ' H' ' 11' ' ' LEU . 35.0 t -76.14 -44.17 39.52 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.65 179.685 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 8' ' ' GLY . . . . . 0.571 ' O ' HG22 ' H' ' 12' ' ' VAL . . . -61.31 -26.71 66.53 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 121.268 -0.491 . . . . 0.0 112.752 179.758 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 9' ' ' SER . . . . . 0.432 ' O ' ' HG2' ' F' ' 13' ' ' GLU . 5.7 m -57.98 -27.67 63.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.152 0.501 . . . . 0.0 111.167 -179.668 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 10' ' ' HIS . . . . . 0.639 ' HA ' ' HG3' ' H' ' 13' ' ' GLU . 94.4 m-70 -104.24 -11.98 16.91 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.396 -178.454 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 11' ' ' LEU . . . . . 0.833 ' HA ' ' H5 ' ' G' ' 22' ' ' IPH . 47.5 mt -74.09 -38.41 63.89 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 177.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 12' ' ' VAL . . . . . 0.571 HG22 ' O ' ' H' ' 8' ' ' GLY . 0.8 OUTLIER -67.52 -30.28 48.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.115 -0.948 . . . . 0.0 111.89 179.706 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' H' H ' 13' ' ' GLU . . . . . 0.639 ' HG3' ' HA ' ' H' ' 10' ' ' HIS . 24.9 mt-10 -57.26 -55.65 32.03 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-O 121.032 0.444 . . . . 0.0 109.819 179.724 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.48 -33.05 73.47 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.097 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 15' ' ' LEU . . . . . 0.549 ' HB2' ' HA ' ' H' ' 12' ' ' VAL . 2.3 mt -52.51 -62.88 1.36 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.015 -179.724 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 16' ' ' TYR . . . . . 0.74 ' HB3' ' CE1' ' H' ' 24' ' ' PHE . 3.3 p90 -76.43 -16.43 59.69 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 120.06 -0.656 . . . . 0.0 111.1 -179.248 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 17' ' ' LEU . . . . . 0.624 ' HG ' ' CE1' ' F' ' 5' ' ' HIS . 8.1 tt -68.82 -39.36 80.05 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 178.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 49.5 t -68.45 -44.38 83.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.523 178.245 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 19' ' ' CYS . . . . . 0.992 ' HB3' ' HB3' ' H' ' 22' ' ' ARG . 74.5 m -66.92 -37.4 84.28 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.595 179.739 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.64 -108.01 2.53 Favored Glycine 0 N--CA 1.451 -0.351 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 21' ' ' GLU . . . . . 0.529 ' O ' ' HD2' ' F' ' 29' ' ' LYS . 54.2 mt-10 -96.45 51.1 1.17 Allowed 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 178.282 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 22' ' ' ARG . . . . . 0.992 ' HB3' ' HB3' ' H' ' 19' ' ' CYS . 73.7 ttt180 -139.41 133.04 30.48 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.846 -1.07 . . . . 0.0 108.928 -178.708 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 23' ' ' GLY . . . . . 0.697 ' HA3' HG22 ' F' ' 27' ' ' THR . . . -84.62 170.9 46.73 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.644 -0.789 . . . . 0.0 113.159 -178.734 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 24' ' ' PHE . . . . . 0.74 ' CE1' ' HB3' ' H' ' 16' ' ' TYR . 11.7 p90 -155.07 169.92 23.0 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-O 121.104 0.478 . . . . 0.0 110.41 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 25' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -116.09 132.51 56.64 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.348 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 26' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -129.3 119.53 24.1 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.119 0.485 . . . . 0.0 111.013 -179.492 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 27' ' ' THR . . . . . 0.684 HG22 ' HA3' ' F' ' 23' ' ' GLY . 7.1 p -123.64 101.61 36.54 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.445 179.75 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 28' ' ' PRO . . . . . 0.58 ' HD2' ' HA2' ' F' ' 23' ' ' GLY . 82.7 Cg_endo -78.79 50.63 3.51 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.759 2.306 . . . . 0.0 111.825 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 29' ' ' LYS . . . . . 0.499 ' HD2' ' O ' ' F' ' 21' ' ' GLU . 62.7 tttm -153.45 90.43 1.41 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.88 -179.476 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 30' ' ' THR . . . . . . . . . . . . . 6.2 m . . . . . 0 C--O 1.252 1.21 0 CA-C-O 118.106 -0.949 . . . . 0.0 109.998 -178.878 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' I' I ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.691 0 N-CA-C 112.232 -0.347 . . . . 0.0 112.232 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' I' I ' 2' ' ' ILE . . . . . . . . . . . . . 7.5 tt -179.91 -40.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-O 121.203 0.525 . . . . 0.0 110.108 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 3' ' ' VAL . . . . . 0.4 ' O ' ' HB3' ' I' ' 7' ' ' CYS . 99.6 t -59.34 -34.53 54.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.499 -179.667 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 4' ' ' GLU . . . . . 0.504 ' CD ' ' H ' ' I' ' 4' ' ' GLU . 2.5 mp0 -57.34 -22.87 45.26 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 -178.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 5' ' ' GLN . . . . . 0.46 ' HG3' ' SG ' ' I' ' 11' ' ' CYS . 14.7 pt20 -124.77 -38.98 2.31 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -179.029 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 6' ' ' CYS . . . . . . . . . . . . . 70.8 m -78.12 -24.57 47.41 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 112.335 0.495 . . . . 0.0 112.335 -178.497 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 7' ' ' CYS . . . . . 0.773 ' HB2' HD11 ' J' ' 11' ' ' LEU . 41.3 t -98.92 -5.8 30.06 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.929 0.395 . . . . 0.0 111.162 -179.805 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 8' ' ' THR . . . . . . . . . . . . . 2.4 p -91.39 -62.1 1.51 Allowed 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.959 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 9' ' ' SER . . . . . 0.504 ' O ' ' HB ' ' I' ' 10' ' ' ILE . 20.5 p -129.65 16.04 5.9 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -179.554 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 10' ' ' ILE . . . . . 0.522 HD11 ' HB ' ' B' ' 2' ' ' VAL . 2.2 mp 73.28 136.4 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 CA-C-O 121.627 0.727 . . . . 0.0 111.51 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 11' ' ' CYS . . . . . 0.46 ' SG ' ' HG3' ' I' ' 5' ' ' GLN . 92.3 m -92.06 158.69 16.08 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.844 179.269 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 12' ' ' SER . . . . . . . . . . . . . 30.0 t -75.22 166.92 22.87 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.145 179.242 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 13' ' ' LEU . . . . . . . . . . . . . 10.0 tt -57.48 -61.48 2.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.248 -179.269 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -64.86 -19.06 65.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.027 0.441 . . . . 0.0 111.186 -179.497 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -75.47 -32.14 60.5 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.083 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 16' ' ' LEU . . . . . . . . . . . . . 83.9 mt -70.89 -29.98 66.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.018 0.437 . . . . 0.0 110.184 178.674 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 17' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -63.67 -16.09 60.1 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.518 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 18' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -69.15 -18.44 63.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.109 0.481 . . . . 0.0 110.497 178.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 19' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -104.35 -2.68 25.16 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.14 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 20' ' ' CYS . . . . . 0.43 ' HA ' ' HB3' ' J' ' 24' ' ' PHE . 3.6 t -88.4 -176.59 5.39 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.783 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 21' ' ' ASN . . . . . . . . . . . . . 63.9 m-20 . . . . . 0 C--O 1.244 0.812 0 CA-C-O 118.605 -0.712 . . . . 0.0 110.644 179.868 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' J' J ' 1' ' ' PHE . . . . . . . . . . . . . 49.1 t80 . . . . . 0 N--CA 1.481 1.102 0 CA-C-O 120.339 0.114 . . . . 0.0 110.764 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' J' J ' 2' ' ' VAL . . . . . 0.533 ' HB ' HD11 ' E' ' 10' ' ' ILE . 11.1 m 47.92 -159.56 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 124.655 1.182 . . . . 0.0 112.579 -179.61 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 3' ' ' ASN . . . . . 0.429 ' CG ' ' H ' ' J' ' 4' ' ' GLN . 34.0 t30 -150.35 -167.98 2.97 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 122.155 -0.341 . . . . 0.0 111.084 -178.124 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 4' ' ' GLN . . . . . 0.429 ' H ' ' CG ' ' J' ' 3' ' ' ASN . 29.6 tt0 -48.34 -36.65 14.84 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 124.061 0.944 . . . . 0.0 112.231 179.759 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 5' ' ' HIS . . . . . 0.462 ' CD2' HG21 ' E' ' 10' ' ' ILE . 56.0 t60 -58.65 -17.89 26.11 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -178.546 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 6' ' ' LEU . . . . . 0.526 HD12 HG11 ' J' ' 2' ' ' VAL . 24.4 mt -120.37 -19.9 7.44 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.297 0.57 . . . . 0.0 110.729 179.26 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 7' ' ' CYS . . . . . 0.45 ' O ' ' HG ' ' J' ' 11' ' ' LEU . 40.0 t -76.02 -45.09 36.25 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.578 179.77 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 8' ' ' GLY . . . . . 0.589 ' O ' HG22 ' J' ' 12' ' ' VAL . . . -60.42 -27.58 65.93 Favored Glycine 0 N--CA 1.449 -0.478 0 CA-C-N 115.927 -0.579 . . . . 0.0 112.728 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 9' ' ' SER . . . . . 0.428 ' O ' ' HG2' ' L' ' 13' ' ' GLU . 7.0 m -57.43 -27.35 62.33 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 122.961 0.504 . . . . 0.0 111.291 -179.717 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 10' ' ' HIS . . . . . 0.634 ' HA ' ' HG3' ' J' ' 13' ' ' GLU . 94.6 m-70 -104.68 -12.31 16.44 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.414 -178.553 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 11' ' ' LEU . . . . . 0.846 ' HA ' ' H5 ' ' I' ' 22' ' ' IPH . 46.8 mt -73.73 -38.77 64.67 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 177.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 12' ' ' VAL . . . . . 0.589 HG22 ' O ' ' J' ' 8' ' ' GLY . 0.7 OUTLIER -67.12 -30.48 49.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.056 -0.975 . . . . 0.0 112.011 179.794 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' J' J ' 13' ' ' GLU . . . . . 0.634 ' HG3' ' HA ' ' J' ' 10' ' ' HIS . 25.4 mt-10 -57.33 -55.04 39.86 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.32 -32.68 71.95 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.083 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 15' ' ' LEU . . . . . 0.554 ' HB2' ' HA ' ' J' ' 12' ' ' VAL . 2.5 mt -52.76 -62.86 1.37 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.949 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 16' ' ' TYR . . . . . 0.732 ' HB3' ' CE1' ' J' ' 24' ' ' PHE . 3.2 p90 -76.23 -16.45 59.82 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.153 -0.619 . . . . 0.0 111.009 -179.211 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 17' ' ' LEU . . . . . 0.487 ' HB2' ' O ' ' J' ' 13' ' ' GLU . 7.9 tt -68.81 -40.06 79.72 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 178.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 55.6 t -67.86 -43.62 85.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.549 178.24 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 19' ' ' CYS . . . . . 0.978 ' HB3' ' HB3' ' J' ' 22' ' ' ARG . 73.6 m -67.58 -38.62 84.32 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.304 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.09 -108.53 2.7 Favored Glycine 0 N--CA 1.451 -0.352 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 -179.48 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 21' ' ' GLU . . . . . 0.491 ' O ' ' HD2' ' L' ' 29' ' ' LYS . 53.8 mt-10 -95.94 52.24 1.3 Allowed 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 178.05 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 22' ' ' ARG . . . . . 0.978 ' HB3' ' HB3' ' J' ' 19' ' ' CYS . 73.7 ttt180 -141.13 132.92 27.39 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.975 -1.012 . . . . 0.0 109.103 -178.375 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 23' ' ' GLY . . . . . 0.715 ' HA3' HG22 ' L' ' 27' ' ' THR . . . -84.56 171.01 46.99 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.82 -0.705 . . . . 0.0 113.325 -178.632 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 24' ' ' PHE . . . . . 0.732 ' CE1' ' HB3' ' J' ' 16' ' ' TYR . 11.9 p90 -155.17 169.9 23.08 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-O 121.067 0.461 . . . . 0.0 110.502 179.622 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 25' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -116.12 132.68 56.59 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.381 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 26' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -129.87 119.27 23.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.215 0.531 . . . . 0.0 111.11 -179.413 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 27' ' ' THR . . . . . 0.678 HG22 ' HA3' ' L' ' 23' ' ' GLY . 7.8 p -123.33 101.35 37.85 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.548 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 28' ' ' PRO . . . . . 0.581 ' HD2' ' HA2' ' L' ' 23' ' ' GLY . 88.1 Cg_endo -78.85 51.51 3.86 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.804 2.336 . . . . 0.0 111.737 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 29' ' ' LYS . . . . . 0.436 ' HD2' ' O ' ' L' ' 21' ' ' GLU . 63.8 tttm -153.88 90.51 1.38 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.658 -179.472 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 30' ' ' THR . . . . . . . . . . . . . 7.3 m . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.428 -0.796 . . . . 0.0 109.882 -178.534 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.249 0 N-CA-C 112.178 -0.369 . . . . 0.0 112.178 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' K' K ' 2' ' ' ILE . . . . . . . . . . . . . 8.3 tt -179.45 -40.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 121.332 0.586 . . . . 0.0 110.373 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 3' ' ' VAL . . . . . 0.409 ' O ' ' HB3' ' K' ' 7' ' ' CYS . 92.3 t -59.85 -34.05 54.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.469 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' K' K ' 4' ' ' GLU . . . . . 0.502 ' CD ' ' H ' ' K' ' 4' ' ' GLU . 2.0 mp0 -57.95 -23.1 52.19 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.983 0.734 . . . . 0.0 112.983 -179.028 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' K' K ' 5' ' ' GLN . . . . . 0.467 ' HG3' ' SG ' ' K' ' 11' ' ' CYS . 14.5 pt20 -124.24 -38.91 2.39 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.762 0.652 . . . . 0.0 112.762 -179.018 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' K' K ' 6' ' ' CYS . . . . . . . . . . . . . 73.0 m -78.69 -24.15 45.22 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -178.314 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 7' ' ' CYS . . . . . 0.775 ' HB2' HD11 ' L' ' 11' ' ' LEU . 41.8 t -99.04 -6.67 28.08 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.957 0.408 . . . . 0.0 111.218 -179.636 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' K' K ' 8' ' ' THR . . . . . . . . . . . . . 2.7 p -90.69 -61.56 1.65 Allowed 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.741 -0.384 . . . . 0.0 111.015 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 9' ' ' SER . . . . . 0.528 ' O ' ' HB ' ' K' ' 10' ' ' ILE . 11.1 p -129.65 14.33 5.94 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -179.298 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' K' K ' 10' ' ' ILE . . . . . 0.532 HD11 ' HB ' ' H' ' 2' ' ' VAL . 2.2 mp 74.82 137.06 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 CA-C-O 121.376 0.608 . . . . 0.0 111.314 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' K' K ' 11' ' ' CYS . . . . . 0.467 ' SG ' ' HG3' ' K' ' 5' ' ' GLN . 91.1 m -92.76 159.07 15.58 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.539 179.206 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' K' K ' 12' ' ' SER . . . . . . . . . . . . . 22.5 t -76.3 165.75 24.42 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 179.376 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 13' ' ' LEU . . . . . . . . . . . . . 10.1 tt -56.3 -60.86 2.91 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.541 -179.156 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -64.72 -20.53 66.39 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.184 0.516 . . . . 0.0 111.016 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -74.09 -32.72 63.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.346 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 16' ' ' LEU . . . . . . . . . . . . . 84.5 mt -70.68 -30.41 66.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.298 178.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 17' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -63.33 -16.57 60.81 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.457 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 18' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 -68.36 -19.2 64.62 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 120.938 0.399 . . . . 0.0 110.33 178.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 19' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -104.36 -0.43 28.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.228 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 20' ' ' CYS . . . . . 0.417 ' HA ' ' CB ' ' L' ' 24' ' ' PHE . 3.6 t -90.09 -175.53 4.58 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.61 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' K' K ' 21' ' ' ASN . . . . . . . . . . . . . 53.4 m-20 . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.634 -0.698 . . . . 0.0 110.668 179.944 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' L' L ' 1' ' ' PHE . . . . . . . . . . . . . 48.9 t80 . . . . . 0 N--CA 1.483 1.182 0 CA-C-O 120.469 0.176 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' L' L ' 2' ' ' VAL . . . . . 0.538 ' HB ' HD11 ' C' ' 10' ' ' ILE . 11.6 m 47.0 -159.56 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 124.545 1.138 . . . . 0.0 112.72 -179.465 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' L' L ' 3' ' ' ASN . . . . . 0.429 ' CG ' ' H ' ' L' ' 4' ' ' GLN . 29.3 t30 -149.99 -167.77 2.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.867 0.365 . . . . 0.0 111.197 -178.146 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' L' L ' 4' ' ' GLN . . . . . 0.429 ' H ' ' CG ' ' L' ' 3' ' ' ASN . 29.7 tt0 -48.18 -37.83 16.71 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 123.936 0.895 . . . . 0.0 112.238 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' L' L ' 5' ' ' HIS . . . . . 0.454 ' CD2' HG21 ' C' ' 10' ' ' ILE . 54.7 t60 -57.16 -18.69 16.47 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 113.045 0.758 . . . . 0.0 113.045 -178.634 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' L' L ' 6' ' ' LEU . . . . . 0.523 HD12 HG11 ' L' ' 2' ' ' VAL . 24.1 mt -119.87 -20.47 7.54 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.197 0.523 . . . . 0.0 110.826 179.273 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' L' L ' 7' ' ' CYS . . . . . 0.471 ' O ' ' HG ' ' L' ' 11' ' ' LEU . 37.8 t -75.99 -44.04 41.59 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.548 179.745 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' L' L ' 8' ' ' GLY . . . . . 0.582 ' O ' HG22 ' L' ' 12' ' ' VAL . . . -61.61 -26.54 66.8 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 121.171 -0.538 . . . . 0.0 112.838 179.739 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' L' L ' 9' ' ' SER . . . . . 0.433 ' O ' ' HG2' ' J' ' 13' ' ' GLU . 6.6 m -58.23 -27.53 64.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.212 0.53 . . . . 0.0 111.304 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' L' L ' 10' ' ' HIS . . . . . 0.628 ' HA ' ' HG3' ' L' ' 13' ' ' GLU . 94.8 m-70 -104.17 -12.43 16.7 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.347 -178.566 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' L' L ' 11' ' ' LEU . . . . . 0.866 ' HA ' ' H5 ' ' K' ' 22' ' ' IPH . 47.5 mt -73.69 -38.15 64.98 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 178.045 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' L' L ' 12' ' ' VAL . . . . . 0.582 HG22 ' O ' ' L' ' 8' ' ' GLY . 0.7 OUTLIER -68.16 -30.05 46.61 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-N 115.002 -0.999 . . . . 0.0 111.967 179.846 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' L' L ' 13' ' ' GLU . . . . . 0.628 ' HG3' ' HA ' ' L' ' 10' ' ' HIS . 25.9 mt-10 -57.33 -55.07 39.53 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 179.721 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' L' L ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.05 -32.54 72.1 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.057 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 15' ' ' LEU . . . . . 0.558 ' HB2' ' HA ' ' L' ' 12' ' ' VAL . 2.4 mt -53.18 -62.54 1.58 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.105 -0.498 . . . . 0.0 112.077 -179.714 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' L' L ' 16' ' ' TYR . . . . . 0.742 ' HB3' ' CE1' ' L' ' 24' ' ' PHE . 3.3 p90 -76.57 -16.33 59.63 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 119.967 -0.693 . . . . 0.0 110.989 -179.207 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' L' L ' 17' ' ' LEU . . . . . 0.498 ' HB2' ' O ' ' L' ' 13' ' ' GLU . 8.1 tt -68.73 -40.11 80.06 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 178.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 50.0 t -67.97 -43.19 85.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.632 178.315 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 19' ' ' CYS . . . . . 0.991 ' HB3' ' HB3' ' L' ' 22' ' ' ARG . 73.3 m -68.36 -36.53 79.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.489 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' L' L ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.53 -109.58 2.82 Favored Glycine 0 N--CA 1.452 -0.297 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -179.189 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 21' ' ' GLU . . . . . 0.436 ' O ' ' HD2' ' J' ' 29' ' ' LYS . 56.0 mt-10 -95.55 54.49 1.58 Allowed 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 178.153 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' L' L ' 22' ' ' ARG . . . . . 0.991 ' HB3' ' HB3' ' L' ' 19' ' ' CYS . 74.6 ttt180 -143.13 131.31 21.93 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.877 -1.056 . . . . 0.0 108.963 -178.492 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' L' L ' 23' ' ' GLY . . . . . 0.678 ' HA3' HG22 ' J' ' 27' ' ' THR . . . -83.4 170.24 48.48 Favored Glycine 0 CA--C 1.511 -0.187 0 C-N-CA 120.64 -0.79 . . . . 0.0 113.168 -178.689 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' L' L ' 24' ' ' PHE . . . . . 0.742 ' CE1' ' HB3' ' L' ' 16' ' ' TYR . 11.1 p90 -154.51 169.95 22.59 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-O 121.013 0.435 . . . . 0.0 110.463 179.639 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' L' L ' 25' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -116.14 132.67 56.59 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.267 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 26' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -129.85 118.59 21.98 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.069 0.462 . . . . 0.0 111.182 -179.571 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 27' ' ' THR . . . . . 0.715 HG22 ' HA3' ' J' ' 23' ' ' GLY . 6.2 p -122.85 101.76 38.92 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.313 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' L' L ' 28' ' ' PRO . . . . . 0.602 ' HD2' ' HA2' ' J' ' 23' ' ' GLY . 89.4 Cg_endo -78.68 51.36 3.76 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 122.796 2.331 . . . . 0.0 111.73 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' L' L ' 29' ' ' LYS . . . . . 0.491 ' HD2' ' O ' ' J' ' 21' ' ' GLU . 62.6 tttm -153.97 90.53 1.38 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.694 -179.405 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' L' L ' 30' ' ' THR . . . . . . . . . . . . . 8.3 m . . . . . 0 C--O 1.25 1.126 0 O-C-N 123.997 0.81 . . . . 0.0 110.26 -178.937 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 22' ' ' IPH . . . . . 0.826 ' H5 ' ' HA ' ' B' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 22' ' ' IPH . . . . . 0.854 ' H5 ' ' HA ' ' D' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 22' ' ' IPH . . . . . 0.857 ' H5 ' ' HA ' ' F' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 22' ' ' IPH . . . . . 0.833 ' H5 ' ' HA ' ' H' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 22' ' ' IPH . . . . . 0.846 ' H5 ' ' HA ' ' J' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 22' ' ' IPH . . . . . 0.866 ' H5 ' ' HA ' ' L' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.681 0 N-CA-C 111.709 -0.556 . . . . 0.0 111.709 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.465 HD11 HD11 ' B' ' 15' ' ' LEU . 3.5 tt -60.57 -50.51 80.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.861 0.362 . . . . 0.0 111.726 -179.375 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.59 HG21 ' HA ' ' B' ' 28' ' ' PRO . 18.6 t -69.4 -19.5 23.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.405 0.621 . . . . 0.0 110.443 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -80.88 -60.3 2.35 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.97 179.415 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -58.87 -52.77 64.32 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.61 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 83.3 m -69.2 -2.04 9.45 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 113.65 0.982 . . . . 0.0 113.65 -178.002 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 25.1 t -117.64 -28.55 5.99 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.257 -0.577 . . . . 0.0 110.965 179.55 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.495 ' O ' HG21 ' F' ' 2' ' ' VAL . 26.8 p -82.94 -23.34 33.52 Favored 'General case' 0 C--N 1.328 -0.33 0 O-C-N 122.281 -0.262 . . . . 0.0 111.082 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.94 ' HA ' HG11 ' F' ' 2' ' ' VAL . 18.5 m -146.72 -5.62 0.54 Allowed 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.977 -0.289 . . . . 0.0 111.586 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.763 HD13 ' HB ' ' F' ' 2' ' ' VAL . 1.9 mp 67.36 135.23 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 CA-C-O 121.599 0.714 . . . . 0.0 111.313 179.483 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 57.6 m -97.37 154.09 17.67 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.397 -178.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.9 m -88.77 178.73 6.38 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.507 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.513 HD12 HG13 ' B' ' 18' ' ' VAL . 59.9 tp -51.17 -60.07 3.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.382 -179.164 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -64.75 -33.99 77.28 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -178.675 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -60.9 -45.36 94.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.134 179.533 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.835 HD11 ' H6 ' ' A' ' 22' ' ' IPH . 88.2 mt -66.14 -37.48 85.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.743 -179.513 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.569 ' HA ' ' SG ' ' A' ' 20' ' ' CYS . 37.2 tt0 -59.35 -21.4 59.76 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 120.932 0.396 . . . . 0.0 111.679 -179.099 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 31.2 m120 -70.25 -12.39 61.56 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.2 179.271 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.417 ' CE2' ' HB ' ' A' ' 2' ' ' ILE . 83.2 m-85 -107.07 6.44 28.94 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -178.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.569 ' SG ' ' HA ' ' A' ' 17' ' ' GLU . 63.8 m -71.29 140.81 50.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.007 0.432 . . . . 0.0 110.045 179.258 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 . . . . . 0 C--O 1.251 1.132 0 CA-C-O 118.429 -0.796 . . . . 0.0 110.097 -179.745 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.482 1.16 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.91 HG11 ' HA ' ' I' ' 9' ' ' SER . 20.7 m -91.69 88.88 2.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 121.852 0.834 . . . . 0.0 110.537 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -171.32 -43.09 0.02 OUTLIER 'General case' 0 C--O 1.219 -0.548 0 CA-C-N 115.029 -0.987 . . . . 0.0 108.559 -179.401 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' GLN . . . . . 0.492 ' HA ' ' HB3' ' B' ' 7' ' ' CYS . 52.6 tt0 -55.61 -36.1 66.58 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.653 179.072 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -64.91 -20.85 66.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.505 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 33.9 mt -105.75 -23.77 12.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.655 0.741 . . . . 0.0 110.106 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' CYS . . . . . 0.544 ' SG ' HD21 ' B' ' 11' ' ' LEU . 0.0 OUTLIER -79.5 -44.93 20.3 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 114.805 -1.089 . . . . 0.0 111.102 -178.891 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 8' ' ' GLY . . . . . 0.607 ' HA2' ' HG ' ' B' ' 11' ' ' LEU . . . -58.1 -28.28 61.02 Favored Glycine 0 N--CA 1.452 -0.265 0 CA-C-N 115.988 -0.551 . . . . 0.0 114.125 -179.318 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 9' ' ' SER . . . . . 0.523 ' HB2' ' HG2' ' D' ' 13' ' ' GLU . 13.9 p -67.42 -12.88 61.34 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 117.005 0.402 . . . . 0.0 111.426 -179.559 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -109.77 -18.14 13.51 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.829 -0.348 . . . . 0.0 111.413 -179.278 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.607 ' HG ' ' HA2' ' B' ' 8' ' ' GLY . 3.0 mt -72.55 -32.91 66.44 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 178.101 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.507 ' HA ' HD12 ' B' ' 15' ' ' LEU . 2.6 m -65.41 -37.22 79.54 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.098 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.567 179.277 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.586 ' HA ' ' CE2' ' B' ' 16' ' ' TYR . 21.6 mt-10 -61.92 -41.12 97.56 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 179.612 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.07 -33.36 65.6 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.639 178.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.507 HD12 ' HA ' ' B' ' 12' ' ' VAL . 16.3 mt -57.79 -57.7 11.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.212 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 16' ' ' TYR . . . . . 0.701 ' HB2' ' HG3' ' D' ' 28' ' ' PRO . 3.8 p90 -63.47 -26.03 68.54 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.673 -179.155 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.478 HD23 HD23 ' H' ' 17' ' ' LEU . 49.0 tp -72.91 -45.67 56.85 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.175 179.474 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.513 HG13 HD12 ' A' ' 13' ' ' LEU . 42.4 t -65.07 -42.89 95.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.013 179.111 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 19' ' ' CYS . . . . . 0.763 ' HB3' ' HB2' ' B' ' 22' ' ' ARG . 79.8 m -67.62 -20.71 65.38 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.282 179.083 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.66 63.93 3.61 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.347 179.265 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 72.65 -2.56 2.62 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 123.454 0.702 . . . . 0.0 111.751 -179.254 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' ARG . . . . . 0.763 ' HB2' ' HB3' ' B' ' 19' ' ' CYS . 75.9 mtm180 -79.32 147.46 32.44 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 177.239 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 23' ' ' GLY . . . . . 0.784 ' HA2' ' HD2' ' D' ' 28' ' ' PRO . . . -75.13 -178.84 42.68 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.338 -0.934 . . . . 0.0 112.742 -179.402 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 24' ' ' PHE . . . . . 0.551 ' HE2' ' HB3' ' B' ' 16' ' ' TYR . 23.3 p90 -167.35 166.48 14.54 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 179.688 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 11.1 p90 -107.92 126.8 53.12 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 178.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.553 ' CE1' HG22 ' A' ' 3' ' ' VAL . 83.6 t80 -119.63 110.07 16.42 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.937 0.399 . . . . 0.0 110.819 -179.21 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 27' ' ' THR . . . . . 0.654 HG22 ' HA3' ' D' ' 23' ' ' GLY . 5.3 p -118.63 96.17 49.69 Favored Pre-proline 0 C--N 1.316 -0.851 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.677 179.309 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 28' ' ' PRO . . . . . 0.78 ' HD2' ' HA2' ' D' ' 23' ' ' GLY . 42.2 Cg_endo -68.72 59.14 1.14 Allowed 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 123.215 2.61 . . . . 0.0 112.92 -179.023 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.557 ' HG2' ' H ' ' B' ' 30' ' ' THR . 66.8 tttt -158.73 -162.63 1.12 Allowed 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 30' ' ' THR . . . . . 0.557 ' H ' ' HG2' ' B' ' 29' ' ' LYS . 13.2 t . . . . . 0 C--O 1.252 1.187 0 CA-C-O 117.838 -1.077 . . . . 0.0 108.683 178.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.013 0 N-CA-C 112.04 -0.424 . . . . 0.0 112.04 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 2' ' ' ILE . . . . . 0.446 HD11 HD11 ' D' ' 15' ' ' LEU . 3.6 tt -60.4 -50.22 81.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 3' ' ' VAL . . . . . 0.601 HG21 ' HA ' ' D' ' 28' ' ' PRO . 19.9 t -69.36 -20.2 23.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.621 0.724 . . . . 0.0 110.704 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -80.51 -60.72 2.21 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.084 179.492 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -58.62 -52.88 63.78 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.706 -0.679 . . . . 0.0 112.434 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 78.8 m -68.62 -2.05 8.18 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.661 0.985 . . . . 0.0 113.661 -178.005 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 7' ' ' CYS . . . . . . . . . . . . . 26.4 t -117.71 -28.82 5.89 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.108 -0.637 . . . . 0.0 111.029 179.391 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 8' ' ' THR . . . . . 0.478 ' O ' HG21 ' L' ' 2' ' ' VAL . 28.6 p -82.49 -22.52 35.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.74 0.305 . . . . 0.0 111.314 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 9' ' ' SER . . . . . 0.951 ' HA ' HG11 ' L' ' 2' ' ' VAL . 30.6 m -147.9 -6.09 0.45 Allowed 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.608 -179.776 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 10' ' ' ILE . . . . . 0.792 HD13 ' HB ' ' L' ' 2' ' ' VAL . 1.9 mp 67.92 135.03 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 CA-C-O 121.554 0.692 . . . . 0.0 111.367 179.071 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 56.8 m -96.79 154.53 17.23 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.383 -178.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 40.9 m -89.14 179.29 6.17 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.477 179.439 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 13' ' ' LEU . . . . . 0.503 HD12 HG13 ' D' ' 18' ' ' VAL . 59.9 tp -51.72 -59.38 4.36 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 112.513 0.561 . . . . 0.0 112.513 -179.158 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -65.58 -32.7 74.42 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 111.887 0.328 . . . . 0.0 111.887 -178.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -62.11 -44.91 95.62 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.777 0.323 . . . . 0.0 111.166 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 16' ' ' LEU . . . . . 0.823 HD11 ' H6 ' ' C' ' 22' ' ' IPH . 88.9 mt -66.75 -36.5 82.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.857 -179.309 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 17' ' ' GLU . . . . . 0.549 ' HA ' ' SG ' ' C' ' 20' ' ' CYS . 36.0 tt0 -59.98 -21.51 61.35 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.547 -179.256 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 32.2 m120 -70.68 -11.47 60.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.156 179.331 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -107.91 7.22 27.92 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -179.119 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 20' ' ' CYS . . . . . 0.549 ' SG ' ' HA ' ' C' ' 17' ' ' GLU . 64.9 m -71.79 142.59 49.69 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.805 -0.442 . . . . 0.0 109.805 179.074 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.311 -0.852 . . . . 0.0 110.011 -179.868 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.479 0.989 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 2' ' ' VAL . . . . . 0.916 HG11 ' HA ' ' G' ' 9' ' ' SER . 22.8 m -91.94 88.24 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.89 0.852 . . . . 0.0 110.759 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 3' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -170.86 -43.45 0.02 OUTLIER 'General case' 0 C--O 1.219 -0.523 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 4' ' ' GLN . . . . . 0.495 ' HA ' ' HB3' ' D' ' 7' ' ' CYS . 51.3 tt0 -55.12 -35.77 65.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.722 179.014 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 5' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -65.33 -19.96 66.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.448 179.225 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 35.9 mt -106.35 -24.47 12.25 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.637 0.732 . . . . 0.0 109.919 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 7' ' ' CYS . . . . . 0.545 ' SG ' HD21 ' D' ' 11' ' ' LEU . 0.0 OUTLIER -78.63 -44.24 24.36 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 114.86 -1.063 . . . . 0.0 111.297 -179.042 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 8' ' ' GLY . . . . . 0.582 ' HA2' ' HG ' ' D' ' 11' ' ' LEU . . . -58.68 -28.54 62.94 Favored Glycine 0 N--CA 1.451 -0.305 0 CA-C-N 115.911 -0.586 . . . . 0.0 114.076 -179.264 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 9' ' ' SER . . . . . 0.531 ' HB3' ' OH ' ' B' ' 16' ' ' TYR . 13.0 p -67.32 -12.58 60.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.003 0.43 . . . . 0.0 111.625 -179.59 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 10' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -109.82 -18.72 13.36 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.784 -0.366 . . . . 0.0 111.389 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 11' ' ' LEU . . . . . 0.593 HD22 ' H2 ' ' C' ' 22' ' ' IPH . 3.1 mt -72.26 -32.68 66.88 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.315 -0.995 . . . . 0.0 108.315 178.089 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 12' ' ' VAL . . . . . 0.524 ' HA ' HD12 ' D' ' 15' ' ' LEU . 2.4 m -65.66 -37.26 79.56 Favored 'Isoleucine or valine' 0 C--O 1.231 0.091 0 CA-C-N 115.351 -0.841 . . . . 0.0 111.574 179.289 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 13' ' ' GLU . . . . . 0.596 ' HA ' ' CE2' ' D' ' 16' ' ' TYR . 21.5 mt-10 -61.85 -40.86 96.79 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 121.506 0.669 . . . . 0.0 109.239 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.13 -33.28 65.43 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.364 -0.834 . . . . 0.0 110.707 178.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 15' ' ' LEU . . . . . 0.524 HD12 ' HA ' ' D' ' 12' ' ' VAL . 16.6 mt -58.18 -57.81 11.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.015 -0.538 . . . . 0.0 112.208 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 16' ' ' TYR . . . . . 0.675 ' HB2' ' HG3' ' B' ' 28' ' ' PRO . 4.2 p90 -63.45 -25.12 68.12 Favored 'General case' 0 C--O 1.235 0.294 0 C-N-CA 120.325 -0.55 . . . . 0.0 110.708 -178.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 17' ' ' LEU . . . . . 0.495 HD23 HD23 ' J' ' 17' ' ' LEU . 49.2 tp -73.45 -46.36 48.82 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.033 179.557 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 18' ' ' VAL . . . . . 0.503 HG13 HD12 ' C' ' 13' ' ' LEU . 43.0 t -64.44 -43.66 96.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.062 179.039 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 19' ' ' CYS . . . . . 0.775 ' HB3' ' HB2' ' D' ' 22' ' ' ARG . 79.0 m -66.82 -20.53 65.95 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.393 178.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.26 63.62 3.85 Favored Glycine 0 C--N 1.331 0.297 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.364 179.318 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 73.29 -3.74 2.38 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 123.475 0.71 . . . . 0.0 111.806 -179.191 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 22' ' ' ARG . . . . . 0.775 ' HB2' ' HB3' ' D' ' 19' ' ' CYS . 77.1 mtm180 -78.0 147.84 34.66 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 177.041 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 23' ' ' GLY . . . . . 0.78 ' HA2' ' HD2' ' B' ' 28' ' ' PRO . . . -75.73 -179.02 44.6 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.436 -0.888 . . . . 0.0 112.614 -179.183 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 24' ' ' PHE . . . . . 0.541 ' HE2' ' HB3' ' D' ' 16' ' ' TYR . 24.8 p90 -167.15 166.46 14.98 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 179.606 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 25' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -107.82 126.73 53.0 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 178.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 26' ' ' TYR . . . . . 0.557 ' CE1' HG22 ' C' ' 3' ' ' VAL . 83.3 t80 -119.54 110.36 16.8 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.113 0.482 . . . . 0.0 110.793 -179.274 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 27' ' ' THR . . . . . 0.664 HG22 ' HA3' ' B' ' 23' ' ' GLY . 5.7 p -118.92 96.4 50.1 Favored Pre-proline 0 C--N 1.316 -0.854 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.521 179.312 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 28' ' ' PRO . . . . . 0.784 ' HD2' ' HA2' ' B' ' 23' ' ' GLY . 41.1 Cg_endo -68.66 58.34 1.08 Allowed 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 123.188 2.592 . . . . 0.0 112.871 -178.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 29' ' ' LYS . . . . . 0.558 ' HG2' ' H ' ' D' ' 30' ' ' THR . 68.2 tttt -159.4 -165.64 1.61 Allowed 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 107.71 -1.218 . . . . 0.0 107.71 -179.657 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 30' ' ' THR . . . . . 0.558 ' H ' ' HG2' ' D' ' 29' ' ' LYS . 14.6 t . . . . . 0 C--O 1.253 1.266 0 CA-C-O 118.043 -0.979 . . . . 0.0 108.706 178.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.632 0 N-CA-C 112.231 -0.348 . . . . 0.0 112.231 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' E' E ' 2' ' ' ILE . . . . . 0.471 HD11 HD11 ' F' ' 15' ' ' LEU . 3.3 tt -58.83 -49.69 82.05 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -179.049 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 3' ' ' VAL . . . . . 0.594 HG21 ' HA ' ' F' ' 28' ' ' PRO . 19.8 t -70.05 -19.93 22.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.201 0.524 . . . . 0.0 110.524 -179.524 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 4' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -81.49 -59.5 2.6 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.094 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -59.19 -53.15 61.56 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.808 -0.633 . . . . 0.0 112.319 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 6' ' ' CYS . . . . . 0.408 ' O ' ' HA ' ' E' ' 10' ' ' ILE . 81.0 m -68.39 -3.3 10.72 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 113.501 0.926 . . . . 0.0 113.501 -177.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 7' ' ' CYS . . . . . . . . . . . . . 25.4 t -116.63 -27.78 6.59 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.204 -0.598 . . . . 0.0 111.124 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 8' ' ' THR . . . . . 0.498 ' O ' HG21 ' J' ' 2' ' ' VAL . 30.7 p -83.62 -22.91 32.07 Favored 'General case' 0 C--N 1.331 -0.228 0 O-C-N 122.183 -0.323 . . . . 0.0 111.186 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 9' ' ' SER . . . . . 0.962 ' HA ' HG11 ' J' ' 2' ' ' VAL . 19.7 m -147.09 -6.05 0.5 Allowed 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 111.772 0.286 . . . . 0.0 111.772 -179.653 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 10' ' ' ILE . . . . . 0.79 HD13 ' HB ' ' J' ' 2' ' ' VAL . 1.9 mp 67.86 135.97 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.468 0 O-C-N 123.628 0.58 . . . . 0.0 111.291 179.237 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 11' ' ' CYS . . . . . . . . . . . . . 56.7 m -98.32 153.71 18.34 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.018 0.437 . . . . 0.0 111.442 -178.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 12' ' ' SER . . . . . . . . . . . . . 25.5 m -88.22 179.28 6.4 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.546 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 13' ' ' LEU . . . . . 0.528 HD12 HG13 ' F' ' 18' ' ' VAL . 59.8 tp -51.64 -59.56 4.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.87 -0.605 . . . . 0.0 112.469 -179.314 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -65.82 -31.96 73.21 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -178.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -62.89 -44.5 95.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.76 0.314 . . . . 0.0 110.932 179.469 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 16' ' ' LEU . . . . . 0.803 HD11 ' H6 ' ' E' ' 22' ' ' IPH . 89.9 mt -66.81 -36.95 83.56 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.888 -179.596 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 17' ' ' GLU . . . . . 0.544 ' HA ' ' SG ' ' E' ' 20' ' ' CYS . 38.0 tt0 -59.53 -22.01 61.06 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 120.888 0.375 . . . . 0.0 111.561 -179.008 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 18' ' ' ASN . . . . . . . . . . . . . 32.0 m120 -69.45 -13.52 62.4 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.643 0.259 . . . . 0.0 111.12 179.418 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 19' ' ' TYR . . . . . 0.424 ' CE2' ' HB ' ' E' ' 2' ' ' ILE . 82.1 m-85 -105.67 5.68 31.32 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -178.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 20' ' ' CYS . . . . . 0.544 ' SG ' ' HA ' ' E' ' 17' ' ' GLU . 64.1 m -70.34 142.11 52.2 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 178.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 21' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.494 -0.765 . . . . 0.0 110.15 -179.747 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' F' F ' 1' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.48 1.052 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 2' ' ' VAL . . . . . 0.94 HG11 ' HA ' ' A' ' 9' ' ' SER . 22.7 m -90.38 86.99 2.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.917 0.865 . . . . 0.0 110.86 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 3' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 -169.55 -43.44 0.02 OUTLIER 'General case' 0 C--O 1.218 -0.586 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -179.656 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 4' ' ' GLN . . . . . 0.488 ' HA ' ' HB3' ' F' ' 7' ' ' CYS . 51.6 tt0 -55.41 -35.57 65.5 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.908 179.222 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 5' ' ' HIS . . . . . . . . . . . . . 75.5 t60 -65.27 -20.36 66.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.419 179.19 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 6' ' ' LEU . . . . . . . . . . . . . 35.5 mt -105.91 -24.89 12.34 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.634 0.73 . . . . 0.0 109.993 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 7' ' ' CYS . . . . . 0.545 ' SG ' HD21 ' F' ' 11' ' ' LEU . 0.0 OUTLIER -78.37 -44.66 24.46 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 114.742 -1.117 . . . . 0.0 111.276 -178.935 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' F' F ' 8' ' ' GLY . . . . . 0.583 ' HA2' ' HG ' ' F' ' 11' ' ' LEU . . . -58.25 -28.23 61.35 Favored Glycine 0 N--CA 1.45 -0.409 0 CA-C-N 115.967 -0.561 . . . . 0.0 114.069 -179.313 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 9' ' ' SER . . . . . 0.528 ' HB3' ' OH ' ' H' ' 16' ' ' TYR . 14.2 p -67.72 -12.39 60.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.022 0.439 . . . . 0.0 111.552 -179.471 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 10' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -109.75 -18.79 13.36 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.285 -179.284 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 11' ' ' LEU . . . . . 0.595 HD22 ' H2 ' ' E' ' 22' ' ' IPH . 3.0 mt -72.42 -32.58 66.46 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 178.286 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 12' ' ' VAL . . . . . 0.522 ' HA ' HD12 ' F' ' 15' ' ' LEU . 2.6 m -65.54 -37.26 79.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.499 179.154 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 13' ' ' GLU . . . . . 0.588 ' HA ' ' CE2' ' F' ' 16' ' ' TYR . 21.3 mt-10 -61.94 -40.73 96.54 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 121.506 0.669 . . . . 0.0 109.388 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.53 -33.07 64.55 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.492 178.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 15' ' ' LEU . . . . . 0.522 HD12 ' HA ' ' F' ' 12' ' ' VAL . 16.0 mt -58.38 -57.47 12.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.072 -0.513 . . . . 0.0 112.154 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 16' ' ' TYR . . . . . 0.702 ' HB2' ' HG3' ' H' ' 28' ' ' PRO . 3.9 p90 -63.91 -24.97 67.94 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 120.437 -0.505 . . . . 0.0 110.761 -178.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 17' ' ' LEU . . . . . 0.475 HD23 HD23 ' L' ' 17' ' ' LEU . 50.8 tp -73.76 -46.16 47.47 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.874 179.561 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 18' ' ' VAL . . . . . 0.528 HG13 HD12 ' E' ' 13' ' ' LEU . 43.3 t -64.24 -44.34 97.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.903 179.041 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 19' ' ' CYS . . . . . 0.768 ' HB3' ' HB2' ' F' ' 22' ' ' ARG . 84.1 m -66.27 -20.53 66.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.393 179.046 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 20' ' ' GLY . . . . . 0.403 ' O ' ' HB2' ' F' ' 21' ' ' GLU . . . 66.58 62.14 4.8 Favored Glycine 0 C--N 1.33 0.205 0 C-N-CA 121.014 -0.612 . . . . 0.0 112.563 179.108 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 21' ' ' GLU . . . . . 0.403 ' HB2' ' O ' ' F' ' 20' ' ' GLY . 68.9 mt-10 75.17 -4.39 2.39 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.68 0.792 . . . . 0.0 111.583 -179.419 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 22' ' ' ARG . . . . . 0.768 ' HB2' ' HB3' ' F' ' 19' ' ' CYS . 76.5 mtm180 -77.41 147.97 35.74 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 177.233 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 23' ' ' GLY . . . . . 0.772 ' HA2' ' HD2' ' H' ' 28' ' ' PRO . . . -76.46 179.93 48.01 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.424 -0.893 . . . . 0.0 112.517 -179.132 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 24' ' ' PHE . . . . . 0.558 ' HE2' ' HB3' ' F' ' 16' ' ' TYR . 24.6 p90 -165.91 167.58 16.59 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 179.48 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 25' ' ' PHE . . . . . . . . . . . . . 11.1 p90 -108.92 126.62 53.27 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 178.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 26' ' ' TYR . . . . . 0.548 ' CE1' HG22 ' E' ' 3' ' ' VAL . 83.7 t80 -119.36 110.5 17.03 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.889 0.376 . . . . 0.0 110.816 -179.094 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 27' ' ' THR . . . . . 0.674 HG22 ' HA3' ' H' ' 23' ' ' GLY . 6.2 p -119.09 96.27 49.98 Favored Pre-proline 0 C--N 1.316 -0.883 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 179.165 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 28' ' ' PRO . . . . . 0.76 ' HD2' ' HA2' ' H' ' 23' ' ' GLY . 42.0 Cg_endo -68.48 58.46 1.03 Allowed 'Trans proline' 0 C--N 1.352 0.743 0 C-N-CA 123.346 2.698 . . . . 0.0 112.783 -178.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 29' ' ' LYS . . . . . 0.557 ' HG2' ' H ' ' F' ' 30' ' ' THR . 66.5 tttt -158.62 -163.66 1.3 Allowed 'General case' 0 N--CA 1.444 -0.756 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 -179.743 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 30' ' ' THR . . . . . 0.557 ' H ' ' HG2' ' F' ' 29' ' ' LYS . 13.3 t . . . . . 0 C--O 1.25 1.129 0 CA-C-O 118.141 -0.933 . . . . 0.0 109.185 179.147 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.232 0 N-CA-C 111.735 -0.546 . . . . 0.0 111.735 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' G' G ' 2' ' ' ILE . . . . . 0.45 HD11 HD11 ' H' ' 15' ' ' LEU . 3.7 tt -58.96 -50.6 79.07 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 3' ' ' VAL . . . . . 0.59 HG21 ' HA ' ' H' ' 28' ' ' PRO . 18.7 t -69.43 -20.21 23.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.463 0.649 . . . . 0.0 110.835 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 4' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -80.3 -61.08 2.09 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.008 179.261 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 5' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -57.87 -53.32 59.6 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.636 -0.711 . . . . 0.0 112.606 -179.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 6' ' ' CYS . . . . . . . . . . . . . 82.8 m -68.55 -2.72 9.49 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 -178.125 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 7' ' ' CYS . . . . . . . . . . . . . 24.8 t -116.88 -28.3 6.34 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.26 -0.576 . . . . 0.0 110.994 179.52 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 8' ' ' THR . . . . . 0.495 ' O ' HG21 ' D' ' 2' ' ' VAL . 31.2 p -82.82 -23.32 33.84 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.935 -0.306 . . . . 0.0 111.218 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 9' ' ' SER . . . . . 0.916 ' HA ' HG11 ' D' ' 2' ' ' VAL . 20.2 m -146.82 -7.03 0.5 Allowed 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.676 -179.626 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 10' ' ' ILE . . . . . 0.799 HD13 ' HB ' ' D' ' 2' ' ' VAL . 1.9 mp 68.44 133.94 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 CA-C-O 121.575 0.702 . . . . 0.0 111.443 179.277 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 11' ' ' CYS . . . . . . . . . . . . . 54.0 m -96.29 153.6 17.72 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.621 -178.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 12' ' ' SER . . . . . . . . . . . . . 19.9 m -89.0 178.09 6.49 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.447 179.496 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 13' ' ' LEU . . . . . 0.499 HD12 HG13 ' H' ' 18' ' ' VAL . 57.7 tp -50.2 -60.13 3.27 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 123.15 0.58 . . . . 0.0 112.542 -179.276 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -64.93 -32.29 73.93 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 -178.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -63.22 -44.53 95.03 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.77 0.319 . . . . 0.0 111.09 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 16' ' ' LEU . . . . . 0.825 HD11 ' H6 ' ' G' ' 22' ' ' IPH . 89.1 mt -66.86 -35.95 81.21 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.882 -179.509 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 17' ' ' GLU . . . . . 0.555 ' HA ' ' SG ' ' G' ' 20' ' ' CYS . 37.1 tt0 -60.56 -21.19 62.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.966 0.412 . . . . 0.0 111.618 -179.136 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 18' ' ' ASN . . . . . . . . . . . . . 31.2 m120 -71.11 -11.94 61.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.746 0.308 . . . . 0.0 111.244 179.46 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 19' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -106.99 7.31 29.8 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 -179.188 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 20' ' ' CYS . . . . . 0.555 ' SG ' ' HA ' ' G' ' 17' ' ' GLU . 67.1 m -71.61 143.61 49.75 Favored 'General case' 0 C--O 1.236 0.384 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 178.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 21' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.494 -0.765 . . . . 0.0 110.339 -179.52 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' H' H ' 1' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.478 0.966 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 2' ' ' VAL . . . . . 0.957 HG11 ' HA ' ' K' ' 9' ' ' SER . 21.0 m -90.61 88.33 2.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.69 0.757 . . . . 0.0 110.593 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 3' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -170.44 -43.98 0.02 OUTLIER 'General case' 0 C--O 1.218 -0.554 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 -179.398 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 4' ' ' GLN . . . . . 0.494 ' HA ' ' HB3' ' H' ' 7' ' ' CYS . 51.7 tt0 -55.11 -35.91 65.15 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.676 178.785 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 5' ' ' HIS . . . . . . . . . . . . . 76.4 t60 -65.48 -19.72 66.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.475 179.35 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 6' ' ' LEU . . . . . . . . . . . . . 35.5 mt -106.67 -23.75 12.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.602 0.715 . . . . 0.0 109.981 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 7' ' ' CYS . . . . . 0.548 ' SG ' HD21 ' H' ' 11' ' ' LEU . 0.0 OUTLIER -79.45 -44.6 21.02 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 114.87 -1.059 . . . . 0.0 111.229 -178.796 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' H' H ' 8' ' ' GLY . . . . . 0.573 ' HA2' ' HG ' ' H' ' 11' ' ' LEU . . . -58.32 -28.48 61.88 Favored Glycine 0 N--CA 1.451 -0.327 0 CA-C-N 116.049 -0.523 . . . . 0.0 114.141 -179.399 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 9' ' ' SER . . . . . 0.533 ' HB3' ' OH ' ' F' ' 16' ' ' TYR . 13.3 p -67.33 -12.45 60.2 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.945 0.402 . . . . 0.0 111.46 -179.382 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 10' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -109.89 -18.59 13.36 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.705 0.288 . . . . 0.0 111.454 -179.226 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 11' ' ' LEU . . . . . 0.593 HD22 ' H2 ' ' G' ' 22' ' ' IPH . 3.2 mt -72.64 -32.9 66.24 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 178.229 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 12' ' ' VAL . . . . . 0.53 ' HA ' HD12 ' H' ' 15' ' ' LEU . 2.4 m -65.24 -37.42 80.12 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.498 179.297 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 13' ' ' GLU . . . . . 0.59 ' HA ' ' CE2' ' H' ' 16' ' ' TYR . 20.9 mt-10 -61.74 -41.08 97.19 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.507 0.67 . . . . 0.0 109.376 179.567 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.08 -33.56 65.7 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.545 178.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 15' ' ' LEU . . . . . 0.53 HD12 ' HA ' ' H' ' 12' ' ' VAL . 16.7 mt -57.95 -57.68 11.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.209 -179.63 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 16' ' ' TYR . . . . . 0.705 ' HB2' ' HG3' ' F' ' 28' ' ' PRO . 4.0 p90 -63.63 -25.46 68.23 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 120.467 -0.493 . . . . 0.0 110.527 -179.074 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 17' ' ' LEU . . . . . 0.478 HD23 HD23 ' B' ' 17' ' ' LEU . 50.4 tp -73.2 -45.98 53.15 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.894 -0.593 . . . . 0.0 109.918 179.554 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 18' ' ' VAL . . . . . 0.499 HG13 HD12 ' G' ' 13' ' ' LEU . 42.5 t -65.02 -42.97 96.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.043 179.119 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 19' ' ' CYS . . . . . 0.732 ' HB3' ' HB2' ' H' ' 22' ' ' ARG . 81.2 m -68.13 -18.36 64.61 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.277 179.131 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.48 63.65 4.14 Favored Glycine 0 C--N 1.331 0.261 0 C-N-CA 120.969 -0.634 . . . . 0.0 112.445 179.119 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 21' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 73.18 -2.99 2.56 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 123.424 0.69 . . . . 0.0 111.819 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 22' ' ' ARG . . . . . 0.732 ' HB2' ' HB3' ' H' ' 19' ' ' CYS . 76.6 mtm180 -78.85 148.24 32.89 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 107.842 -1.169 . . . . 0.0 107.842 177.057 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 23' ' ' GLY . . . . . 0.76 ' HA2' ' HD2' ' F' ' 28' ' ' PRO . . . -75.94 -178.67 44.58 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.227 -0.987 . . . . 0.0 112.804 -179.155 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 24' ' ' PHE . . . . . 0.547 ' HE2' ' HB3' ' H' ' 16' ' ' TYR . 24.6 p90 -167.28 167.37 14.13 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 179.512 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 25' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -109.07 126.65 53.39 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 178.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 26' ' ' TYR . . . . . 0.553 ' CE1' HG22 ' G' ' 3' ' ' VAL . 83.0 t80 -119.45 110.87 17.42 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.962 0.41 . . . . 0.0 110.821 -179.171 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 27' ' ' THR . . . . . 0.669 HG22 ' HA3' ' F' ' 23' ' ' GLY . 3.3 p -119.54 95.83 49.43 Favored Pre-proline 0 C--N 1.316 -0.89 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.514 179.426 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 28' ' ' PRO . . . . . 0.772 ' HD2' ' HA2' ' F' ' 23' ' ' GLY . 38.5 Cg_endo -68.21 57.95 0.92 Allowed 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 123.354 2.703 . . . . 0.0 112.974 -178.705 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 29' ' ' LYS . . . . . 0.545 ' HG2' ' H ' ' H' ' 30' ' ' THR . 65.4 tttt -157.96 -163.58 1.35 Allowed 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.653 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 30' ' ' THR . . . . . 0.545 ' H ' ' HG2' ' H' ' 29' ' ' LYS . 13.2 t . . . . . 0 C--O 1.254 1.311 0 CA-C-O 118.077 -0.963 . . . . 0.0 108.852 178.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.753 0 N-CA-C 111.79 -0.524 . . . . 0.0 111.79 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' I' I ' 2' ' ' ILE . . . . . 0.462 HD11 HD11 ' J' ' 15' ' ' LEU . 3.8 tt -57.35 -50.8 75.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -179.48 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 3' ' ' VAL . . . . . 0.59 HG21 ' HA ' ' J' ' 28' ' ' PRO . 18.9 t -69.24 -19.95 23.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.463 0.649 . . . . 0.0 110.715 -179.646 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 4' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -80.75 -60.01 2.46 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.124 179.318 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 5' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -58.77 -53.41 58.63 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.649 -0.705 . . . . 0.0 112.577 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 6' ' ' CYS . . . . . 0.408 ' O ' ' HA ' ' I' ' 10' ' ' ILE . 79.7 m -68.13 -3.22 9.72 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 113.596 0.961 . . . . 0.0 113.596 -177.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 7' ' ' CYS . . . . . . . . . . . . . 25.5 t -116.57 -29.23 6.19 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.241 -0.584 . . . . 0.0 110.961 179.466 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 8' ' ' THR . . . . . 0.481 ' O ' HG21 ' B' ' 2' ' ' VAL . 27.7 p -82.32 -23.0 35.37 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.913 -0.315 . . . . 0.0 111.399 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 9' ' ' SER . . . . . 0.91 ' HA ' HG11 ' B' ' 2' ' ' VAL . 27.8 m -146.87 -6.64 0.5 Allowed 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.987 -0.285 . . . . 0.0 111.694 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 10' ' ' ILE . . . . . 0.786 HD13 ' HB ' ' B' ' 2' ' ' VAL . 1.9 mp 68.33 136.13 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 CA-C-O 121.501 0.667 . . . . 0.0 111.322 179.358 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 11' ' ' CYS . . . . . . . . . . . . . 57.8 m -97.8 154.84 17.35 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.43 -178.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 12' ' ' SER . . . . . . . . . . . . . 24.8 m -89.46 -179.71 5.88 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.295 179.413 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 13' ' ' LEU . . . . . 0.488 HD12 HG13 ' J' ' 18' ' ' VAL . 60.0 tp -52.83 -58.82 5.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.041 -0.527 . . . . 0.0 112.28 -178.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -65.65 -33.48 75.99 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -178.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -61.19 -44.96 96.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.72 0.295 . . . . 0.0 111.032 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 16' ' ' LEU . . . . . 0.806 HD11 ' H6 ' ' I' ' 22' ' ' IPH . 89.8 mt -66.79 -37.02 83.74 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.983 -179.511 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 17' ' ' GLU . . . . . 0.566 ' HA ' ' SG ' ' I' ' 20' ' ' CYS . 37.8 tt0 -59.93 -20.67 58.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.927 0.394 . . . . 0.0 111.647 -179.14 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 18' ' ' ASN . . . . . . . . . . . . . 32.0 m120 -70.81 -13.11 61.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.989 179.229 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 19' ' ' TYR . . . . . 0.412 ' CE2' ' HB ' ' I' ' 2' ' ' ILE . 81.9 m-85 -106.19 6.21 30.63 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.038 0.384 . . . . 0.0 112.038 -179.028 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 20' ' ' CYS . . . . . 0.566 ' SG ' ' HA ' ' I' ' 17' ' ' GLU . 65.0 m -70.72 142.89 51.44 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 179.217 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 21' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 . . . . . 0 C--O 1.246 0.9 0 CA-C-O 118.211 -0.9 . . . . 0.0 109.911 -179.883 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' J' J ' 1' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.48 1.063 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 2' ' ' VAL . . . . . 0.962 HG11 ' HA ' ' E' ' 9' ' ' SER . 19.7 m -92.08 86.02 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.913 0.863 . . . . 0.0 110.882 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 3' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -168.14 -43.57 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 -179.351 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 4' ' ' GLN . . . . . 0.509 ' HA ' ' HB3' ' J' ' 7' ' ' CYS . 52.2 tt0 -54.96 -36.42 65.3 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.677 179.038 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 5' ' ' HIS . . . . . . . . . . . . . 75.2 t60 -64.67 -20.19 66.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.552 179.367 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 6' ' ' LEU . . . . . . . . . . . . . 35.1 mt -106.3 -24.25 12.33 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.734 0.778 . . . . 0.0 109.974 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 7' ' ' CYS . . . . . 0.539 ' SG ' HD21 ' J' ' 11' ' ' LEU . 0.0 OUTLIER -78.96 -44.35 22.65 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.711 -1.131 . . . . 0.0 111.271 -178.925 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' J' J ' 8' ' ' GLY . . . . . 0.564 ' HA2' ' HG ' ' J' ' 11' ' ' LEU . . . -58.68 -28.55 62.96 Favored Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.919 -0.582 . . . . 0.0 113.922 -179.138 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 9' ' ' SER . . . . . 0.523 ' HB3' ' OH ' ' L' ' 16' ' ' TYR . 15.8 p -67.38 -12.82 61.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 117.063 0.431 . . . . 0.0 111.4 -179.279 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 10' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -109.69 -18.11 13.54 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.926 -0.309 . . . . 0.0 111.425 -179.405 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 11' ' ' LEU . . . . . 0.586 HD22 ' H2 ' ' I' ' 22' ' ' IPH . 3.3 mt -72.94 -32.56 65.35 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 178.2 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 12' ' ' VAL . . . . . 0.541 ' HA ' HD12 ' J' ' 15' ' ' LEU . 2.5 m -65.7 -37.12 79.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.444 179.127 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 13' ' ' GLU . . . . . 0.58 ' HA ' ' CE2' ' J' ' 16' ' ' TYR . 22.1 mt-10 -61.76 -41.21 97.39 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-O 121.464 0.649 . . . . 0.0 109.406 179.634 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.11 -33.1 65.36 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.7 178.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 15' ' ' LEU . . . . . 0.541 HD12 ' HA ' ' J' ' 12' ' ' VAL . 16.6 mt -58.15 -57.5 12.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.023 -0.535 . . . . 0.0 112.055 -179.65 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 16' ' ' TYR . . . . . 0.698 ' HB2' ' HG3' ' L' ' 28' ' ' PRO . 3.8 p90 -63.69 -25.51 68.24 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-O 121.18 0.514 . . . . 0.0 110.643 -179.112 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 17' ' ' LEU . . . . . 0.495 HD23 HD23 ' D' ' 17' ' ' LEU . 49.6 tp -73.33 -46.46 49.27 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.924 179.463 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 18' ' ' VAL . . . . . 0.492 HG21 HD12 ' I' ' 16' ' ' LEU . 42.9 t -64.03 -44.15 97.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.021 179.067 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 19' ' ' CYS . . . . . 0.761 ' HB3' ' HB2' ' J' ' 22' ' ' ARG . 80.8 m -66.81 -19.1 65.68 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.48 179.004 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.83 64.05 3.8 Favored Glycine 0 C--N 1.33 0.206 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.481 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 21' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 72.95 -3.57 2.38 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.205 0.602 . . . . 0.0 111.854 -179.374 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 22' ' ' ARG . . . . . 0.761 ' HB2' ' HB3' ' J' ' 19' ' ' CYS . 77.2 mtm180 -78.42 147.95 33.81 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 177.294 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 23' ' ' GLY . . . . . 0.796 ' HA2' ' HD2' ' L' ' 28' ' ' PRO . . . -75.76 -178.88 44.45 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.206 -0.997 . . . . 0.0 112.719 -179.191 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 24' ' ' PHE . . . . . 0.54 ' HE2' ' HB3' ' J' ' 16' ' ' TYR . 24.8 p90 -167.04 166.77 15.04 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 25' ' ' PHE . . . . . . . . . . . . . 11.0 p90 -108.38 126.24 52.65 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.387 -0.598 . . . . 0.0 109.387 178.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 26' ' ' TYR . . . . . 0.537 ' CE1' HG22 ' I' ' 3' ' ' VAL . 83.4 t80 -118.99 110.57 17.28 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.882 0.372 . . . . 0.0 110.81 -179.232 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 27' ' ' THR . . . . . 0.677 HG22 ' HA3' ' L' ' 23' ' ' GLY . 4.5 p -119.21 96.0 49.7 Favored Pre-proline 0 C--N 1.316 -0.884 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 179.521 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 28' ' ' PRO . . . . . 0.795 ' HD2' ' HA2' ' L' ' 23' ' ' GLY . 39.3 Cg_endo -68.27 58.2 0.95 Allowed 'Trans proline' 0 C--N 1.353 0.797 0 C-N-CA 123.284 2.656 . . . . 0.0 112.85 -178.789 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 29' ' ' LYS . . . . . 0.532 ' HG2' ' H ' ' J' ' 30' ' ' THR . 63.6 tttt -157.82 -161.51 1.04 Allowed 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 30' ' ' THR . . . . . 0.532 ' H ' ' HG2' ' J' ' 29' ' ' LYS . 12.0 t . . . . . 0 C--O 1.254 1.328 0 CA-C-O 117.616 -1.183 . . . . 0.0 108.34 179.13 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.325 0 N-CA-C 111.76 -0.536 . . . . 0.0 111.76 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' K' K ' 2' ' ' ILE . . . . . 0.474 HD11 HD11 ' L' ' 15' ' ' LEU . 3.5 tt -61.03 -50.89 78.71 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 CA-C-N 116.97 0.385 . . . . 0.0 111.751 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' K' K ' 3' ' ' VAL . . . . . 0.591 HG21 ' HA ' ' L' ' 28' ' ' PRO . 19.1 t -68.93 -19.73 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.498 0.666 . . . . 0.0 110.753 -179.658 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' K' K ' 4' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -80.79 -60.46 2.3 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.064 179.428 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 5' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -58.54 -53.3 59.84 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.672 -0.695 . . . . 0.0 112.454 -179.553 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 6' ' ' CYS . . . . . . . . . . . . . 84.0 m -68.47 -2.98 9.85 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -178.066 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 7' ' ' CYS . . . . . . . . . . . . . 24.6 t -116.55 -29.19 6.21 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.14 -0.624 . . . . 0.0 111.019 179.429 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 8' ' ' THR . . . . . 0.475 ' O ' HG21 ' H' ' 2' ' ' VAL . 30.5 p -82.53 -22.34 35.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.748 0.308 . . . . 0.0 111.236 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' K' K ' 9' ' ' SER . . . . . 0.957 ' HA ' HG11 ' H' ' 2' ' ' VAL . 38.1 m -147.82 -5.36 0.47 Allowed 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.672 -0.411 . . . . 0.0 111.705 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' K' K ' 10' ' ' ILE . . . . . 0.787 HD13 ' HB ' ' H' ' 2' ' ' VAL . 1.9 mp 66.91 133.29 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 CA-C-O 121.58 0.705 . . . . 0.0 111.658 179.149 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' K' K ' 11' ' ' CYS . . . . . . . . . . . . . 55.9 m -95.36 153.87 17.47 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.615 -179.083 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 12' ' ' SER . . . . . . . . . . . . . 26.1 m -89.75 177.54 6.49 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.51 179.414 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 13' ' ' LEU . . . . . 0.49 HD12 HG13 ' L' ' 18' ' ' VAL . 59.0 tp -49.21 -60.94 2.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.899 -0.591 . . . . 0.0 112.587 -178.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -64.65 -32.18 73.73 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -178.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -63.1 -44.83 94.57 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.664 0.268 . . . . 0.0 111.084 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 16' ' ' LEU . . . . . 0.811 HD11 ' H6 ' ' K' ' 22' ' ' IPH . 89.3 mt -66.15 -36.89 84.31 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.861 -179.547 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' K' K ' 17' ' ' GLU . . . . . 0.56 ' HA ' ' SG ' ' K' ' 20' ' ' CYS . 36.4 tt0 -59.83 -21.23 60.63 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.602 -179.086 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' K' K ' 18' ' ' ASN . . . . . . . . . . . . . 32.4 m120 -70.66 -11.4 60.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.176 179.32 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 19' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -107.51 6.01 27.67 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -178.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 20' ' ' CYS . . . . . 0.56 ' SG ' ' HA ' ' K' ' 17' ' ' GLU . 65.1 m -70.72 142.23 51.48 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 179.261 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' K' K ' 21' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 . . . . . 0 C--O 1.246 0.898 0 CA-C-O 118.234 -0.888 . . . . 0.0 109.745 -179.902 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' L' L ' 1' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.481 1.095 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 2' ' ' VAL . . . . . 0.951 HG11 ' HA ' ' C' ' 9' ' ' SER . 20.9 m -90.88 87.07 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.797 0.808 . . . . 0.0 110.87 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 3' ' ' ASN . . . . . . . . . . . . . 30.3 t-20 -169.48 -43.49 0.02 OUTLIER 'General case' 0 CA--C 1.512 -0.487 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -179.52 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 4' ' ' GLN . . . . . 0.5 ' HA ' ' HB3' ' L' ' 7' ' ' CYS . 51.3 tt0 -55.71 -35.6 66.26 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.718 179.298 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 5' ' ' HIS . . . . . . . . . . . . . 75.2 t60 -65.1 -20.52 66.51 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.518 179.308 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 6' ' ' LEU . . . . . . . . . . . . . 36.0 mt -105.61 -24.92 12.46 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.696 0.76 . . . . 0.0 109.911 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 7' ' ' CYS . . . . . 0.539 ' SG ' HD21 ' L' ' 11' ' ' LEU . 0.0 OUTLIER -78.32 -44.64 24.69 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 114.725 -1.125 . . . . 0.0 111.297 -178.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' L' L ' 8' ' ' GLY . . . . . 0.589 ' HA2' ' HG ' ' L' ' 11' ' ' LEU . . . -58.15 -28.68 61.66 Favored Glycine 0 N--CA 1.45 -0.404 0 CA-C-N 116.036 -0.529 . . . . 0.0 114.121 -179.441 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 9' ' ' SER . . . . . 0.533 ' HB3' ' OH ' ' J' ' 16' ' ' TYR . 13.2 p -67.26 -12.63 60.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.923 0.392 . . . . 0.0 111.543 -179.43 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 10' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -109.68 -18.89 13.36 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.349 -179.309 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 11' ' ' LEU . . . . . 0.589 ' HG ' ' HA2' ' L' ' 8' ' ' GLY . 3.0 mt -72.31 -32.65 66.74 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 178.409 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 12' ' ' VAL . . . . . 0.513 ' HA ' HD12 ' L' ' 15' ' ' LEU . 2.5 m -65.59 -37.13 79.28 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-N 115.293 -0.867 . . . . 0.0 111.523 179.227 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 13' ' ' GLU . . . . . 0.592 ' HA ' ' CE2' ' L' ' 16' ' ' TYR . 21.9 mt-10 -61.95 -41.07 97.56 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 121.471 0.653 . . . . 0.0 109.292 179.607 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.2 -33.2 65.24 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.586 178.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 15' ' ' LEU . . . . . 0.513 HD12 ' HA ' ' L' ' 12' ' ' VAL . 16.4 mt -58.16 -57.5 12.57 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.237 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 16' ' ' TYR . . . . . 0.68 ' HB2' ' HG3' ' J' ' 28' ' ' PRO . 4.2 p90 -63.59 -25.6 68.31 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 120.422 -0.511 . . . . 0.0 110.641 -179.034 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 17' ' ' LEU . . . . . 0.475 HD23 HD23 ' F' ' 17' ' ' LEU . 49.4 tp -72.97 -46.89 49.8 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.948 179.495 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 18' ' ' VAL . . . . . 0.491 HG21 HD12 ' K' ' 16' ' ' LEU . 42.6 t -63.81 -42.62 96.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.392 178.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 19' ' ' CYS . . . . . 0.763 ' HB3' ' HB2' ' L' ' 22' ' ' ARG . 80.7 m -68.52 -18.83 64.45 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.312 179.183 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 20' ' ' GLY . . . . . 0.419 ' O ' ' HB2' ' L' ' 21' ' ' GLU . . . 65.1 62.65 4.75 Favored Glycine 0 C--N 1.33 0.234 0 C-N-CA 121.041 -0.6 . . . . 0.0 112.536 179.129 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 21' ' ' GLU . . . . . 0.419 ' HB2' ' O ' ' L' ' 20' ' ' GLY . 81.3 mt-10 74.34 -3.87 2.45 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.576 0.751 . . . . 0.0 111.755 -179.359 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 22' ' ' ARG . . . . . 0.763 ' HB2' ' HB3' ' L' ' 19' ' ' CYS . 77.4 mtm180 -77.78 147.65 35.19 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 177.09 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 23' ' ' GLY . . . . . 0.795 ' HA2' ' HD2' ' J' ' 28' ' ' PRO . . . -76.02 -178.79 44.99 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.126 -1.035 . . . . 0.0 112.835 -179.113 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 24' ' ' PHE . . . . . 0.538 ' HE2' ' HB3' ' L' ' 16' ' ' TYR . 25.0 p90 -166.95 167.32 14.83 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 179.683 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 25' ' ' PHE . . . . . . . . . . . . . 11.1 p90 -108.82 126.03 52.6 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 178.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 26' ' ' TYR . . . . . 0.541 ' CE1' HG22 ' K' ' 3' ' ' VAL . 83.2 t80 -119.0 110.65 17.36 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.986 0.422 . . . . 0.0 110.845 -179.14 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 27' ' ' THR . . . . . 0.672 HG22 ' HA3' ' J' ' 23' ' ' GLY . 5.1 p -118.96 95.82 49.64 Favored Pre-proline 0 C--N 1.315 -0.894 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.607 179.449 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 28' ' ' PRO . . . . . 0.796 ' HD2' ' HA2' ' J' ' 23' ' ' GLY . 41.6 Cg_endo -68.3 58.24 0.96 Allowed 'Trans proline' 0 C--N 1.353 0.781 0 C-N-CA 123.222 2.615 . . . . 0.0 113.027 -178.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 29' ' ' LYS . . . . . 0.544 ' HG2' ' H ' ' L' ' 30' ' ' THR . 66.6 tttt -159.56 -166.61 1.81 Allowed 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 -179.539 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 30' ' ' THR . . . . . 0.544 ' H ' ' HG2' ' L' ' 29' ' ' LYS . 14.5 t . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.324 -0.846 . . . . 0.0 109.309 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' IPH . . . . . 0.835 ' H6 ' HD11 ' A' ' 16' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 22' ' ' IPH . . . . . 0.823 ' H6 ' HD11 ' C' ' 16' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 22' ' ' IPH . . . . . 0.803 ' H6 ' HD11 ' E' ' 16' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 22' ' ' IPH . . . . . 0.825 ' H6 ' HD11 ' G' ' 16' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 22' ' ' IPH . . . . . 0.806 ' H6 ' HD11 ' I' ' 16' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 22' ' ' IPH . . . . . 0.811 ' H6 ' HD11 ' K' ' 16' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.469 ' O ' ' HG2' ' A' ' 5' ' ' GLN . . . . . . . . 0 N--CA 1.482 1.734 0 N-CA-C 112.144 -0.383 . . . . 0.0 112.144 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.454 ' CD1' HD11 ' B' ' 15' ' ' LEU . 10.5 tt -64.48 -41.75 93.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 120.704 0.288 . . . . 0.0 111.482 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.445 HG21 ' OG1' ' B' ' 30' ' ' THR . 33.0 m -71.33 -16.14 19.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.307 0.575 . . . . 0.0 111.095 179.746 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -84.56 -30.35 25.13 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.1 -0.954 . . . . 0.0 112.232 -179.057 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.61 ' HG3' ' SG ' ' A' ' 11' ' ' CYS . 5.0 pt20 -112.99 -32.35 6.39 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 113.172 0.805 . . . . 0.0 113.172 -178.269 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.407 ' HB3' ' H6 ' ' A' ' 22' ' ' IPH . 61.0 m -88.67 -36.58 16.14 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -178.029 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.755 ' HB2' HD11 ' B' ' 11' ' ' LEU . 43.3 t -83.29 -6.1 59.36 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.021 0.439 . . . . 0.0 111.41 -178.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.1 p -88.46 -56.48 3.29 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.3 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.429 ' O ' ' HB ' ' A' ' 10' ' ' ILE . 33.5 p -144.9 24.56 1.49 Allowed 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.461 -179.404 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.48 HD13 ' HB3' ' F' ' 3' ' ' ASN . 2.1 mp 71.53 138.38 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 CA-C-O 121.492 0.663 . . . . 0.0 111.439 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.61 ' SG ' ' HG3' ' A' ' 5' ' ' GLN . 91.5 m -94.32 156.0 16.73 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.611 179.23 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.4 m -71.92 163.27 28.14 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 178.65 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 23.9 tp -51.73 -51.33 56.95 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.215 0.531 . . . . 0.0 111.326 -179.614 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -62.43 -30.35 71.16 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.299 -0.864 . . . . 0.0 112.136 -178.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.4 ' HB2' ' HB3' ' A' ' 11' ' ' CYS . 32.8 mt-30 -70.74 -33.24 70.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.707 0.289 . . . . 0.0 111.276 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 94.6 mt -69.07 -29.19 67.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.929 0.395 . . . . 0.0 110.45 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -66.64 -17.54 64.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.093 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -68.3 -18.27 64.47 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.555 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -102.52 6.34 39.88 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.42 -178.161 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 2.3 m -72.08 155.34 40.4 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.464 0.65 . . . . 0.0 112.483 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 . . . . . 0 C--O 1.251 1.166 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.277 178.962 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 8.5 t80 . . . . . 0 N--CA 1.481 1.084 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 33.6 m 42.36 -146.15 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 C-N-CA 124.271 1.028 . . . . 0.0 113.252 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' ASN . . . . . 0.519 ' HB3' HD13 ' I' ' 10' ' ' ILE . 24.4 t-20 -157.6 176.27 12.84 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 -177.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 4' ' ' GLN . . . . . 0.788 ' HA ' ' HB3' ' B' ' 7' ' ' CYS . 0.1 OUTLIER -51.34 -27.88 10.85 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 123.445 0.698 . . . . 0.0 110.535 178.815 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 5' ' ' HIS . . . . . 0.408 ' CD2' HG21 ' I' ' 10' ' ' ILE . 59.2 t60 -59.91 -14.99 18.08 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.29 179.308 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.789 HD21 ' H4 ' ' I' ' 22' ' ' IPH . 14.6 mt -124.46 -13.84 7.01 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.244 0.545 . . . . 0.0 110.098 178.167 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 7' ' ' CYS . . . . . 0.788 ' HB3' ' HA ' ' B' ' 4' ' ' GLN . 1.7 t -85.44 -42.27 14.64 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.38 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 8' ' ' GLY . . . . . 0.467 ' HA3' ' OH ' ' B' ' 26' ' ' TYR . . . -64.26 -25.58 69.88 Favored Glycine 0 N--CA 1.451 -0.338 0 CA-C-N 115.944 -0.571 . . . . 0.0 114.079 -178.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 9' ' ' SER . . . . . 0.682 ' HB2' ' HG2' ' D' ' 13' ' ' GLU . 78.4 p -64.18 -17.88 63.95 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.064 0.459 . . . . 0.0 111.321 -179.193 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 10' ' ' HIS . . . . . 0.712 ' HA ' ' HG3' ' B' ' 13' ' ' GLU . 92.5 m-70 -105.58 -19.57 13.73 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.383 -179.713 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.755 HD11 ' HB2' ' A' ' 7' ' ' CYS . 54.9 mt -68.89 -38.94 79.96 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 177.551 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.648 ' HA ' ' HB2' ' B' ' 15' ' ' LEU . 15.3 m -68.9 -27.68 36.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 CA-C-N 114.683 -1.144 . . . . 0.0 112.385 -179.736 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.712 ' HG3' ' HA ' ' B' ' 10' ' ' HIS . 24.4 mt-10 -59.25 -49.57 77.33 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.447 0.641 . . . . 0.0 109.558 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.2 -30.0 63.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.548 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.648 ' HB2' ' HA ' ' B' ' 12' ' ' VAL . 4.5 mt -55.22 -61.5 2.28 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.202 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 16' ' ' TYR . . . . . 0.918 ' HB2' ' HG3' ' D' ' 28' ' ' PRO . 3.3 p90 -72.13 -19.91 61.71 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.179 -0.609 . . . . 0.0 111.32 -178.691 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.482 HD11 ' H3 ' ' G' ' 22' ' ' IPH . 9.5 tt -66.77 -45.43 78.53 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 178.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 69.3 t -73.87 -40.48 53.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.467 178.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 2.3 t -64.97 -32.27 73.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.185 -179.316 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.81 -154.24 23.74 Favored Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.495 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -81.77 60.15 4.55 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.249 0.547 . . . . 0.0 111.03 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 66.0 mtt180 -121.11 -103.49 0.4 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.7 0.762 . . . . 0.0 110.36 179.501 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' GLY . . . . . 0.742 ' HA2' ' HD2' ' D' ' 28' ' ' PRO . . . 168.64 171.76 34.78 Favored Glycine 0 N--CA 1.439 -1.136 0 N-CA-C 109.67 -1.372 . . . . 0.0 109.67 -179.677 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 24' ' ' PHE . . . . . 0.771 ' CE1' ' HB3' ' B' ' 16' ' ' TYR . 11.4 p90 -160.12 160.6 33.18 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 117.435 0.617 . . . . 0.0 111.163 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 25' ' ' PHE . . . . . 0.534 ' HD1' ' HD1' ' D' ' 25' ' ' PHE . 15.8 m-85 -104.26 104.28 14.16 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.985 -1.007 . . . . 0.0 108.625 179.583 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.467 ' OH ' ' HA3' ' B' ' 8' ' ' GLY . 78.0 t80 -101.41 132.37 47.02 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.724 -179.483 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 27' ' ' THR . . . . . 0.4 ' C ' ' H ' ' B' ' 29' ' ' LYS . 6.5 p -123.44 96.97 43.09 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.225 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 28' ' ' PRO . . . . . 0.913 ' HG3' ' HB2' ' D' ' 16' ' ' TYR . 96.2 Cg_endo -77.8 34.99 0.49 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.715 2.276 . . . . 0.0 111.645 179.259 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.4 ' H ' ' C ' ' B' ' 27' ' ' THR . 87.2 tttt -105.89 133.18 51.02 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.538 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 30' ' ' THR . . . . . 0.445 ' OG1' HG21 ' A' ' 3' ' ' VAL . 23.7 m . . . . . 0 C--O 1.246 0.899 0 CA-C-O 118.527 -0.749 . . . . 0.0 109.56 -179.48 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 1' ' ' GLY . . . . . 0.477 ' O ' ' HG2' ' C' ' 5' ' ' GLN . . . . . . . . 0 N--CA 1.479 1.546 0 N-CA-C 111.553 -0.619 . . . . 0.0 111.553 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 2' ' ' ILE . . . . . 0.452 ' CD1' HD11 ' D' ' 15' ' ' LEU . 10.2 tt -66.06 -41.46 89.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 117.007 0.404 . . . . 0.0 111.342 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 3' ' ' VAL . . . . . 0.419 ' O ' ' HB3' ' C' ' 7' ' ' CYS . 33.5 m -70.44 -18.63 21.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.243 0.545 . . . . 0.0 110.814 179.641 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -81.68 -31.44 32.21 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.215 -0.902 . . . . 0.0 112.414 -179.086 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 5' ' ' GLN . . . . . 0.588 ' HG3' ' SG ' ' C' ' 11' ' ' CYS . 4.8 pt20 -112.64 -30.19 7.19 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 113.464 0.912 . . . . 0.0 113.464 -178.09 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 6' ' ' CYS . . . . . 0.405 ' HB3' ' H6 ' ' C' ' 22' ' ' IPH . 61.0 m -90.86 -35.85 14.54 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -178.018 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 7' ' ' CYS . . . . . 0.713 ' HB2' HD11 ' D' ' 11' ' ' LEU . 43.9 t -83.18 -7.2 59.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.951 0.405 . . . . 0.0 111.176 -179.241 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 1.2 p -87.27 -57.16 3.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 122.325 -0.234 . . . . 0.0 111.522 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 9' ' ' SER . . . . . 0.44 ' O ' ' HB ' ' C' ' 10' ' ' ILE . 25.5 p -144.13 24.7 1.61 Allowed 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 -179.401 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 10' ' ' ILE . . . . . 0.514 HD13 ' HB3' ' L' ' 3' ' ' ASN . 2.0 mp 71.53 138.03 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 CA-C-O 121.451 0.643 . . . . 0.0 111.422 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 11' ' ' CYS . . . . . 0.588 ' SG ' ' HG3' ' C' ' 5' ' ' GLN . 96.0 m -93.54 158.55 15.65 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.349 179.322 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 15.8 m -74.9 163.29 27.81 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 178.489 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 23.0 tp -51.43 -50.42 59.76 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.25 0.548 . . . . 0.0 111.514 -179.528 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -64.06 -28.48 69.81 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.318 -0.856 . . . . 0.0 112.223 -178.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 15' ' ' GLN . . . . . 0.418 ' HB2' ' HB3' ' C' ' 11' ' ' CYS . 33.4 mt-30 -72.58 -31.86 65.55 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.724 0.297 . . . . 0.0 111.199 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 91.5 mt -70.0 -30.17 67.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.836 0.351 . . . . 0.0 110.319 179.56 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -65.87 -16.97 64.32 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.21 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -69.47 -18.03 63.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.504 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -102.33 6.12 40.24 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.483 -178.467 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 2.9 m -73.1 152.46 41.2 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 . . . . . 0 C--O 1.251 1.169 0 CA-C-N 115.135 -0.938 . . . . 0.0 109.295 178.659 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 9.4 t80 . . . . . 0 N--CA 1.48 1.042 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 2' ' ' VAL . . . . . . . . . . . . . 33.4 m 42.93 -146.42 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 C-N-CA 124.423 1.089 . . . . 0.0 113.203 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 3' ' ' ASN . . . . . 0.524 ' HB3' HD13 ' G' ' 10' ' ' ILE . 24.7 t-20 -156.99 177.32 11.65 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 110.094 -0.335 . . . . 0.0 110.094 -177.825 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 4' ' ' GLN . . . . . 0.806 ' HA ' ' HB3' ' D' ' 7' ' ' CYS . 0.1 OUTLIER -52.52 -27.56 16.97 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 123.25 0.62 . . . . 0.0 110.493 178.628 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 5' ' ' HIS . . . . . . . . . . . . . 60.0 t60 -59.85 -15.24 19.59 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.292 179.296 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 6' ' ' LEU . . . . . 0.798 HD21 ' H4 ' ' G' ' 22' ' ' IPH . 14.8 mt -123.97 -14.54 7.1 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.327 0.584 . . . . 0.0 110.103 178.133 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 7' ' ' CYS . . . . . 0.806 ' HB3' ' HA ' ' D' ' 4' ' ' GLN . 1.7 t -84.62 -42.33 15.49 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.59 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 8' ' ' GLY . . . . . 0.464 ' HA3' ' OH ' ' D' ' 26' ' ' TYR . . . -64.13 -25.03 69.26 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 121.312 -0.47 . . . . 0.0 114.271 -178.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 9' ' ' SER . . . . . 0.701 ' HB2' ' HG2' ' B' ' 13' ' ' GLU . 77.4 p -64.85 -18.12 64.87 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.953 0.406 . . . . 0.0 111.451 -178.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 10' ' ' HIS . . . . . 0.719 ' HA ' ' HG3' ' D' ' 13' ' ' GLU . 92.4 m-70 -104.99 -19.75 13.74 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.359 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 11' ' ' LEU . . . . . 0.749 ' HA ' ' H5 ' ' C' ' 22' ' ' IPH . 58.8 mt -68.86 -38.81 80.01 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 177.757 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 12' ' ' VAL . . . . . 0.64 ' HA ' ' HB2' ' D' ' 15' ' ' LEU . 15.4 m -69.12 -27.97 37.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 114.728 -1.124 . . . . 0.0 112.218 -179.698 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 13' ' ' GLU . . . . . 0.719 ' HG3' ' HA ' ' D' ' 10' ' ' HIS . 23.8 mt-10 -59.07 -49.28 78.47 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 121.359 0.599 . . . . 0.0 109.475 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.34 -30.2 63.18 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.377 -0.828 . . . . 0.0 110.709 179.178 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 15' ' ' LEU . . . . . 0.64 ' HB2' ' HA ' ' D' ' 12' ' ' VAL . 4.6 mt -55.24 -62.1 1.89 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.996 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 16' ' ' TYR . . . . . 0.913 ' HB2' ' HG3' ' B' ' 28' ' ' PRO . 3.3 p90 -71.22 -20.48 62.25 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 120.321 -0.552 . . . . 0.0 111.277 -178.62 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 17' ' ' LEU . . . . . 0.501 HD11 ' H3 ' ' I' ' 22' ' ' IPH . 9.4 tt -66.71 -44.94 80.32 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 178.76 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 69.8 t -74.3 -40.76 50.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.109 178.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 19' ' ' CYS . . . . . . . . . . . . . 2.0 t -64.41 -32.2 73.72 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.19 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.16 -152.93 22.52 Favored Glycine 0 N--CA 1.444 -0.821 0 C-N-CA 120.527 -0.844 . . . . 0.0 112.42 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -83.15 58.92 4.68 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.173 0.511 . . . . 0.0 110.972 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 22' ' ' ARG . . . . . . . . . . . . . 69.6 mtt180 -120.23 -103.1 0.41 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.81 0.814 . . . . 0.0 110.461 179.366 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 23' ' ' GLY . . . . . 0.693 ' HA2' ' HD2' ' B' ' 28' ' ' PRO . . . 168.48 171.42 34.3 Favored Glycine 0 N--CA 1.437 -1.261 0 CA-C-N 114.281 -1.327 . . . . 0.0 109.866 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 24' ' ' PHE . . . . . 0.772 ' CE1' ' HB3' ' D' ' 16' ' ' TYR . 10.9 p90 -159.8 160.25 33.62 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.473 0.654 . . . . 0.0 111.536 -179.708 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 25' ' ' PHE . . . . . 0.534 ' HD1' ' HD1' ' B' ' 25' ' ' PHE . 15.2 m-85 -103.76 104.01 13.97 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.933 -1.03 . . . . 0.0 108.985 179.534 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 26' ' ' TYR . . . . . 0.464 ' OH ' ' HA3' ' D' ' 8' ' ' GLY . 76.7 t80 -101.06 131.98 46.71 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.458 -0.497 . . . . 0.0 110.723 -179.459 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 27' ' ' THR . . . . . 0.4 ' C ' ' H ' ' D' ' 29' ' ' LYS . 4.9 p -123.54 95.99 44.24 Favored Pre-proline 0 C--N 1.32 -0.711 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.289 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 28' ' ' PRO . . . . . 0.918 ' HG3' ' HB2' ' B' ' 16' ' ' TYR . 98.1 Cg_endo -77.14 35.58 0.5 Allowed 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 123.083 2.522 . . . . 0.0 111.627 179.247 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 29' ' ' LYS . . . . . 0.4 ' H ' ' C ' ' D' ' 27' ' ' THR . 87.5 tttt -106.41 132.63 52.22 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.342 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 30' ' ' THR . . . . . 0.409 ' OG1' HG21 ' C' ' 3' ' ' VAL . 26.8 m . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.553 -0.737 . . . . 0.0 109.788 -179.332 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 1' ' ' GLY . . . . . 0.514 ' O ' ' HG2' ' E' ' 5' ' ' GLN . . . . . . . . 0 N--CA 1.487 2.096 0 N-CA-C 111.869 -0.493 . . . . 0.0 111.869 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 2' ' ' ILE . . . . . 0.466 ' CD1' HD11 ' F' ' 15' ' ' LEU . 10.6 tt -67.27 -41.89 87.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.771 0.32 . . . . 0.0 111.147 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 33.9 m -70.84 -17.2 20.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.221 0.534 . . . . 0.0 110.957 179.656 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 4' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -82.72 -31.34 28.54 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.208 -0.905 . . . . 0.0 112.356 -179.184 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 5' ' ' GLN . . . . . 0.592 ' HG3' ' SG ' ' E' ' 11' ' ' CYS . 4.8 pt20 -112.43 -31.43 6.81 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 113.234 0.828 . . . . 0.0 113.234 -177.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 6' ' ' CYS . . . . . 0.403 ' HB3' ' H6 ' ' E' ' 22' ' ' IPH . 60.6 m -89.63 -35.99 15.53 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -178.075 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 7' ' ' CYS . . . . . 0.72 ' HB2' HD11 ' F' ' 11' ' ' LEU . 43.2 t -83.26 -7.08 59.65 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.046 0.45 . . . . 0.0 111.409 -179.242 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 1.2 p -87.28 -56.96 3.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 122.206 -0.309 . . . . 0.0 111.438 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 9' ' ' SER . . . . . 0.428 ' O ' ' HB ' ' E' ' 10' ' ' ILE . 12.2 p -144.76 25.56 1.45 Allowed 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.748 0.277 . . . . 0.0 111.748 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 10' ' ' ILE . . . . . 0.508 HD13 ' HB3' ' J' ' 3' ' ' ASN . 2.0 mp 71.04 137.53 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 CA-C-O 121.494 0.664 . . . . 0.0 111.834 179.672 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 11' ' ' CYS . . . . . 0.592 ' SG ' ' HG3' ' E' ' 5' ' ' GLN . 91.8 m -93.27 155.94 17.11 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.764 179.216 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 12' ' ' SER . . . . . . . . . . . . . 9.5 m -72.06 162.87 28.84 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 178.453 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 23.4 tp -51.4 -50.39 59.71 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.214 0.53 . . . . 0.0 111.605 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -64.15 -28.12 69.55 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.409 -0.814 . . . . 0.0 112.258 -178.608 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 15' ' ' GLN . . . . . 0.407 ' HB2' ' HB3' ' E' ' 11' ' ' CYS . 33.7 mt-30 -72.63 -32.45 65.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.767 0.318 . . . . 0.0 110.968 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 16' ' ' LEU . . . . . . . . . . . . . 91.9 mt -69.41 -30.01 67.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.898 0.38 . . . . 0.0 110.501 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 17' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -66.53 -16.37 64.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.155 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 18' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -69.6 -17.74 63.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.462 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 19' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -102.76 6.39 39.34 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.529 -178.573 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 20' ' ' CYS . . . . . . . . . . . . . 2.3 m -72.31 154.05 41.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.296 0.569 . . . . 0.0 112.446 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 21' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 . . . . . 0 C--O 1.252 1.201 0 CA-C-N 115.133 -0.939 . . . . 0.0 109.626 179.184 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' F' F ' 1' ' ' PHE . . . . . . . . . . . . . 9.3 t80 . . . . . 0 N--CA 1.48 1.037 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' F' F ' 2' ' ' VAL . . . . . . . . . . . . . 33.9 m 42.05 -146.18 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 124.313 1.045 . . . . 0.0 113.261 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 3' ' ' ASN . . . . . 0.48 ' HB3' HD13 ' A' ' 10' ' ' ILE . 24.3 t-20 -157.36 176.68 12.36 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.521 -0.308 . . . . 0.0 110.208 -178.069 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 4' ' ' GLN . . . . . 0.802 ' HA ' ' HB3' ' F' ' 7' ' ' CYS . 0.1 OUTLIER -51.93 -27.5 13.28 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 123.516 0.726 . . . . 0.0 110.519 178.759 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' F' F ' 5' ' ' HIS . . . . . 0.432 ' CD2' HG21 ' A' ' 10' ' ' ILE . 62.1 t60 -60.46 -14.51 19.71 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.144 179.279 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 6' ' ' LEU . . . . . 0.785 HD21 ' H4 ' ' A' ' 22' ' ' IPH . 14.7 mt -124.34 -15.03 6.81 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.35 0.595 . . . . 0.0 110.047 178.175 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 7' ' ' CYS . . . . . 0.802 ' HB3' ' HA ' ' F' ' 4' ' ' GLN . 1.8 t -84.22 -43.17 15.17 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.346 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 8' ' ' GLY . . . . . 0.458 ' HA3' ' OH ' ' F' ' 26' ' ' TYR . . . -63.22 -25.38 68.24 Favored Glycine 0 N--CA 1.449 -0.47 0 N-CA-C 114.266 0.466 . . . . 0.0 114.266 -179.048 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 9' ' ' SER . . . . . 0.698 ' HB2' ' HG2' ' H' ' 13' ' ' GLU . 79.2 p -64.82 -17.73 64.5 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.049 0.452 . . . . 0.0 111.426 -179.047 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 10' ' ' HIS . . . . . 0.716 ' HA ' ' HG3' ' F' ' 13' ' ' GLU . 92.9 m-70 -105.54 -19.27 13.83 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.397 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 11' ' ' LEU . . . . . 0.736 ' HA ' ' H5 ' ' E' ' 22' ' ' IPH . 57.2 mt -69.15 -38.89 79.0 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 177.49 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 12' ' ' VAL . . . . . 0.659 ' HA ' ' HB2' ' F' ' 15' ' ' LEU . 15.3 m -68.95 -27.59 36.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 114.695 -1.139 . . . . 0.0 112.304 -179.685 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 13' ' ' GLU . . . . . 0.716 ' HG3' ' HA ' ' F' ' 10' ' ' HIS . 23.6 mt-10 -59.25 -49.56 77.37 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 121.342 0.591 . . . . 0.0 109.583 179.669 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.21 -30.46 63.52 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.71 179.235 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 15' ' ' LEU . . . . . 0.659 ' HB2' ' HA ' ' F' ' 12' ' ' VAL . 4.5 mt -55.03 -61.59 2.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.903 -0.589 . . . . 0.0 112.189 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 16' ' ' TYR . . . . . 0.916 ' HB2' ' HG3' ' H' ' 28' ' ' PRO . 3.6 p90 -71.98 -20.21 61.76 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 120.169 -0.612 . . . . 0.0 111.182 -178.676 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 17' ' ' LEU . . . . . 0.495 HD11 ' H3 ' ' K' ' 22' ' ' IPH . 9.3 tt -66.52 -45.35 79.8 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.771 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 70.7 t -73.75 -41.24 54.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.317 178.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 19' ' ' CYS . . . . . . . . . . . . . 2.0 t -64.03 -32.51 74.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.047 -179.505 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.53 -154.02 23.78 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.159 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 21' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -81.53 60.59 4.6 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.353 0.597 . . . . 0.0 110.927 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 22' ' ' ARG . . . . . . . . . . . . . 63.2 mtt180 -121.92 -103.56 0.39 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.788 0.804 . . . . 0.0 110.225 179.387 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 23' ' ' GLY . . . . . 0.701 ' HA2' ' HD2' ' H' ' 28' ' ' PRO . . . 168.46 171.1 33.95 Favored Glycine 0 N--CA 1.44 -1.094 0 N-CA-C 109.803 -1.319 . . . . 0.0 109.803 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 24' ' ' PHE . . . . . 0.785 ' CE1' ' HB3' ' F' ' 16' ' ' TYR . 11.3 p90 -159.45 160.3 34.61 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.375 0.607 . . . . 0.0 111.363 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 25' ' ' PHE . . . . . 0.52 ' HD1' ' HD1' ' H' ' 25' ' ' PHE . 15.5 m-85 -103.77 104.85 14.92 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.916 -1.038 . . . . 0.0 108.664 179.379 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 26' ' ' TYR . . . . . 0.458 ' OH ' ' HA3' ' F' ' 8' ' ' GLY . 77.7 t80 -101.98 131.97 48.08 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.353 -0.539 . . . . 0.0 110.66 -179.587 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 27' ' ' THR . . . . . . . . . . . . . 5.9 p -123.38 97.38 42.68 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.063 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 28' ' ' PRO . . . . . 0.897 ' HG3' ' HB2' ' H' ' 16' ' ' TYR . 98.6 Cg_endo -77.89 34.7 0.49 Allowed 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 123.042 2.495 . . . . 0.0 111.587 179.386 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 29' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -104.76 135.65 45.74 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.111 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 30' ' ' THR . . . . . . . . . . . . . 24.6 m . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.744 -0.646 . . . . 0.0 109.68 -179.622 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' G' G ' 1' ' ' GLY . . . . . 0.5 ' O ' ' HG2' ' G' ' 5' ' ' GLN . . . . . . . . 0 N--CA 1.491 2.344 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 2' ' ' ILE . . . . . 0.441 ' CD1' HD11 ' H' ' 15' ' ' LEU . 9.8 tt -67.64 -41.26 85.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.892 0.377 . . . . 0.0 111.035 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 3' ' ' VAL . . . . . 0.432 HG21 ' OG1' ' H' ' 30' ' ' THR . 33.8 m -70.97 -16.47 19.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.257 0.551 . . . . 0.0 111.082 179.596 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 4' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -84.61 -29.99 25.32 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.234 -0.894 . . . . 0.0 112.079 -178.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 5' ' ' GLN . . . . . 0.583 ' HG3' ' SG ' ' G' ' 11' ' ' CYS . 4.9 pt20 -113.48 -30.56 6.82 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 -178.093 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 6' ' ' CYS . . . . . 0.415 ' HB3' ' H6 ' ' G' ' 22' ' ' IPH . 61.1 m -90.95 -35.4 14.72 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -178.06 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 7' ' ' CYS . . . . . 0.735 ' HB2' HD11 ' H' ' 11' ' ' LEU . 46.0 t -83.96 -6.09 59.35 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.039 0.447 . . . . 0.0 111.322 -179.173 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -88.19 -56.54 3.28 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.376 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 9' ' ' SER . . . . . 0.431 ' O ' ' HB ' ' G' ' 10' ' ' ILE . 29.1 p -145.33 25.04 1.39 Allowed 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 121.038 -0.265 . . . . 0.0 111.597 -179.592 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 10' ' ' ILE . . . . . 0.524 HD13 ' HB3' ' D' ' 3' ' ' ASN . 2.1 mp 71.72 139.22 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 CA-C-O 121.525 0.679 . . . . 0.0 111.647 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 11' ' ' CYS . . . . . 0.583 ' SG ' ' HG3' ' G' ' 5' ' ' GLN . 94.0 m -94.87 156.5 16.32 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.459 179.42 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 12' ' ' SER . . . . . . . . . . . . . 5.9 m -72.62 163.45 28.04 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 178.498 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 13' ' ' LEU . . . . . . . . . . . . . 23.2 tp -51.59 -50.97 59.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.248 0.547 . . . . 0.0 111.638 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -62.99 -30.13 71.36 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.96 -178.676 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 15' ' ' GLN . . . . . 0.402 ' HB2' ' HB3' ' G' ' 11' ' ' CYS . 33.5 mt-30 -70.77 -32.57 69.74 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.736 0.303 . . . . 0.0 111.266 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 16' ' ' LEU . . . . . . . . . . . . . 93.5 mt -69.76 -28.53 65.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.986 0.422 . . . . 0.0 110.629 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 17' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -68.08 -16.0 63.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.225 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 18' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -69.42 -20.06 63.79 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.322 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 19' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -100.26 6.1 44.65 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.795 -178.439 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 20' ' ' CYS . . . . . . . . . . . . . 2.9 m -73.0 153.77 40.78 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -179.592 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 21' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 . . . . . 0 C--O 1.251 1.146 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.413 178.911 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' H' H ' 1' ' ' PHE . . . . . . . . . . . . . 9.7 t80 . . . . . 0 N--CA 1.482 1.126 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' H' H ' 2' ' ' VAL . . . . . . . . . . . . . 33.8 m 42.66 -146.17 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 C-N-CA 124.181 0.992 . . . . 0.0 113.207 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 3' ' ' ASN . . . . . 0.491 ' HB3' HD13 ' K' ' 10' ' ' ILE . 24.4 t-20 -157.4 176.84 12.15 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 -177.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 4' ' ' GLN . . . . . 0.787 ' HA ' ' HB3' ' H' ' 7' ' ' CYS . 0.1 OUTLIER -51.85 -28.34 15.58 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 123.413 0.685 . . . . 0.0 110.394 178.623 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' H' H ' 5' ' ' HIS . . . . . 0.424 ' CD2' HG21 ' K' ' 10' ' ' ILE . 61.1 t60 -59.59 -15.12 16.41 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.269 179.361 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 6' ' ' LEU . . . . . 0.773 HD21 ' H4 ' ' K' ' 22' ' ' IPH . 14.7 mt -124.08 -14.09 7.15 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.335 0.588 . . . . 0.0 110.02 178.151 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 7' ' ' CYS . . . . . 0.787 ' HB3' ' HA ' ' H' ' 4' ' ' GLN . 1.7 t -85.05 -42.51 14.78 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.368 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 8' ' ' GLY . . . . . 0.468 ' HA3' ' OH ' ' H' ' 26' ' ' TYR . . . -64.17 -25.27 69.52 Favored Glycine 0 N--CA 1.452 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 113.961 -178.802 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 9' ' ' SER . . . . . 0.678 ' HB2' ' HG2' ' F' ' 13' ' ' GLU . 77.3 p -64.66 -17.42 64.04 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.0 0.429 . . . . 0.0 111.419 -179.025 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 10' ' ' HIS . . . . . 0.709 ' HA ' ' HG3' ' H' ' 13' ' ' GLU . 92.9 m-70 -105.71 -19.89 13.62 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.447 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 11' ' ' LEU . . . . . 0.735 HD11 ' HB2' ' G' ' 7' ' ' CYS . 55.6 mt -68.57 -38.78 81.0 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 177.599 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 12' ' ' VAL . . . . . 0.636 ' HA ' ' HB2' ' H' ' 15' ' ' LEU . 15.5 m -68.99 -27.75 36.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 114.778 -1.101 . . . . 0.0 112.229 -179.638 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 13' ' ' GLU . . . . . 0.709 ' HG3' ' HA ' ' H' ' 10' ' ' HIS . 24.1 mt-10 -59.1 -49.54 77.48 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-O 121.387 0.613 . . . . 0.0 109.465 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.39 -29.9 62.92 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.788 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 15' ' ' LEU . . . . . 0.636 ' HB2' ' HA ' ' H' ' 12' ' ' VAL . 4.5 mt -55.34 -61.9 2.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.89 -0.595 . . . . 0.0 112.128 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 16' ' ' TYR . . . . . 0.897 ' HB2' ' HG3' ' F' ' 28' ' ' PRO . 3.6 p90 -71.62 -20.07 62.03 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.128 -0.629 . . . . 0.0 111.064 -178.62 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 17' ' ' LEU . . . . . 0.482 HD11 ' H3 ' ' A' ' 22' ' ' IPH . 9.4 tt -66.86 -44.73 80.23 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 178.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 69.7 t -74.86 -39.26 45.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.319 178.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 19' ' ' CYS . . . . . . . . . . . . . 2.3 t -66.05 -31.45 72.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.162 -179.35 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.52 -152.49 22.61 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.577 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 21' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -83.34 58.76 4.67 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.352 0.596 . . . . 0.0 110.848 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 22' ' ' ARG . . . . . . . . . . . . . 69.9 mtt180 -119.82 -104.03 0.4 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.565 0.698 . . . . 0.0 110.381 179.272 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 23' ' ' GLY . . . . . 0.716 ' HA2' ' HD2' ' F' ' 28' ' ' PRO . . . 169.59 171.63 35.38 Favored Glycine 0 N--CA 1.437 -1.236 0 N-CA-C 109.652 -1.379 . . . . 0.0 109.652 -179.645 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 24' ' ' PHE . . . . . 0.777 ' CE1' ' HB3' ' H' ' 16' ' ' TYR . 11.0 p90 -160.07 159.99 32.59 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 117.506 0.653 . . . . 0.0 111.282 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 25' ' ' PHE . . . . . 0.52 ' HD1' ' HD1' ' F' ' 25' ' ' PHE . 15.1 m-85 -103.72 103.45 13.35 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.011 179.508 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 26' ' ' TYR . . . . . 0.468 ' OH ' ' HA3' ' H' ' 8' ' ' GLY . 77.0 t80 -100.09 133.29 44.69 Favored 'General case' 0 C--N 1.318 -0.793 0 C-N-CA 120.354 -0.539 . . . . 0.0 110.782 -179.627 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 27' ' ' THR . . . . . . . . . . . . . 4.5 p -124.61 96.56 40.76 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.066 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 28' ' ' PRO . . . . . 0.916 ' HG3' ' HB2' ' F' ' 16' ' ' TYR . 99.0 Cg_endo -77.89 35.61 0.53 Allowed 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.983 2.455 . . . . 0.0 111.717 179.505 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 29' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -106.12 133.55 50.65 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.332 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 30' ' ' THR . . . . . 0.432 ' OG1' HG21 ' G' ' 3' ' ' VAL . 26.0 m . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.92 -0.562 . . . . 0.0 109.811 -179.481 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 1' ' ' GLY . . . . . 0.476 ' O ' ' HG2' ' I' ' 5' ' ' GLN . . . . . . . . 0 N--CA 1.492 2.375 0 N-CA-C 111.837 -0.505 . . . . 0.0 111.837 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 2' ' ' ILE . . . . . 0.453 ' CD1' HD11 ' J' ' 15' ' ' LEU . 10.5 tt -64.89 -42.12 93.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 117.074 0.437 . . . . 0.0 111.425 -179.58 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 3' ' ' VAL . . . . . 0.446 HG21 ' OG1' ' J' ' 30' ' ' THR . 33.3 m -70.28 -17.94 21.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 121.364 0.602 . . . . 0.0 111.076 179.733 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 4' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -82.74 -30.04 29.31 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.216 -0.902 . . . . 0.0 112.227 -179.02 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 5' ' ' GLN . . . . . 0.57 ' HG3' ' SG ' ' I' ' 11' ' ' CYS . 5.0 pt20 -113.76 -31.15 6.54 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 -178.296 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 6' ' ' CYS . . . . . 0.406 ' HB3' ' H6 ' ' I' ' 22' ' ' IPH . 60.6 m -89.92 -36.08 15.22 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -178.069 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 7' ' ' CYS . . . . . 0.738 ' HB2' HD11 ' J' ' 11' ' ' LEU . 45.3 t -83.6 -5.78 59.27 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.96 0.41 . . . . 0.0 111.331 -179.06 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -88.32 -57.45 2.92 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.235 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 9' ' ' SER . . . . . 0.423 ' O ' ' HB ' ' I' ' 10' ' ' ILE . 14.5 p -144.76 26.07 1.42 Allowed 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.681 0.252 . . . . 0.0 111.681 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 10' ' ' ILE . . . . . 0.519 HD13 ' HB3' ' B' ' 3' ' ' ASN . 2.1 mp 71.13 137.46 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 CA-C-O 121.586 0.707 . . . . 0.0 111.886 179.58 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 11' ' ' CYS . . . . . 0.57 ' SG ' ' HG3' ' I' ' 5' ' ' GLN . 92.1 m -93.39 155.78 17.17 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.617 179.302 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 12' ' ' SER . . . . . . . . . . . . . 11.0 m -72.38 163.05 28.63 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 178.684 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 13' ' ' LEU . . . . . . . . . . . . . 24.0 tp -50.86 -51.0 55.66 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.4 0.619 . . . . 0.0 111.749 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -63.46 -28.21 69.81 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.259 -0.882 . . . . 0.0 112.41 -178.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -73.01 -32.14 64.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.746 0.308 . . . . 0.0 111.012 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 16' ' ' LEU . . . . . . . . . . . . . 93.3 mt -69.7 -29.53 66.96 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.951 0.405 . . . . 0.0 110.469 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 17' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -67.03 -16.16 64.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.318 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 18' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -68.97 -20.0 64.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.989 0.423 . . . . 0.0 111.174 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 19' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -100.4 6.2 44.42 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.709 -178.369 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 20' ' ' CYS . . . . . . . . . . . . . 2.2 m -72.67 153.0 41.41 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.347 0.594 . . . . 0.0 112.477 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 21' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 . . . . . 0 C--O 1.251 1.181 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.037 178.742 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' J' J ' 1' ' ' PHE . . . . . . . . . . . . . 10.2 t80 . . . . . 0 N--CA 1.483 1.184 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' J' J ' 2' ' ' VAL . . . . . . . . . . . . . 34.0 m 42.4 -145.91 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 C-N-CA 124.416 1.087 . . . . 0.0 113.219 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 3' ' ' ASN . . . . . 0.508 ' HB3' HD13 ' E' ' 10' ' ' ILE . 24.5 t-20 -157.93 176.16 12.9 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 -177.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 4' ' ' GLN . . . . . 0.813 ' HA ' ' HB3' ' J' ' 7' ' ' CYS . 0.1 OUTLIER -51.23 -28.17 10.86 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 123.423 0.689 . . . . 0.0 110.492 178.691 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' J' J ' 5' ' ' HIS . . . . . 0.426 ' CD2' HG21 ' E' ' 10' ' ' ILE . 59.5 t60 -59.56 -15.36 17.81 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.352 179.199 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 6' ' ' LEU . . . . . 0.785 HD21 ' H4 ' ' E' ' 22' ' ' IPH . 14.9 mt -124.02 -13.94 7.21 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.39 0.614 . . . . 0.0 110.141 178.055 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 7' ' ' CYS . . . . . 0.813 ' HB3' ' HA ' ' J' ' 4' ' ' GLN . 1.6 t -85.44 -41.93 14.95 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.373 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 8' ' ' GLY . . . . . 0.461 ' HA3' ' OH ' ' J' ' 26' ' ' TYR . . . -64.37 -25.72 70.14 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 121.322 -0.466 . . . . 0.0 114.156 -178.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 9' ' ' SER . . . . . 0.675 ' HB2' ' HG2' ' L' ' 13' ' ' GLU . 78.5 p -64.11 -18.21 64.19 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.869 0.366 . . . . 0.0 111.317 -179.066 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 10' ' ' HIS . . . . . 0.705 ' HA ' ' HG3' ' J' ' 13' ' ' GLU . 92.9 m-70 -105.25 -19.06 13.92 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.967 0.413 . . . . 0.0 110.431 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 11' ' ' LEU . . . . . 0.738 HD11 ' HB2' ' I' ' 7' ' ' CYS . 57.8 mt -69.22 -38.87 78.78 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 177.596 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 12' ' ' VAL . . . . . 0.651 ' HA ' ' HB2' ' J' ' 15' ' ' LEU . 15.5 m -69.13 -27.73 36.27 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 CA-C-N 114.613 -1.176 . . . . 0.0 112.303 -179.608 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 13' ' ' GLU . . . . . 0.705 ' HG3' ' HA ' ' J' ' 10' ' ' HIS . 24.3 mt-10 -59.17 -49.38 78.07 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.296 0.57 . . . . 0.0 109.554 179.711 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.26 -30.41 63.42 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.606 179.193 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 15' ' ' LEU . . . . . 0.651 ' HB2' ' HA ' ' J' ' 12' ' ' VAL . 4.5 mt -54.91 -61.49 2.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.891 -0.595 . . . . 0.0 112.109 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 16' ' ' TYR . . . . . 0.925 ' HB2' ' HG3' ' L' ' 28' ' ' PRO . 3.8 p90 -72.26 -20.33 61.55 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.17 -0.612 . . . . 0.0 111.092 -178.51 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 17' ' ' LEU . . . . . 0.491 HD11 ' H3 ' ' C' ' 22' ' ' IPH . 9.4 tt -66.4 -44.95 81.61 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 178.733 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 70.1 t -74.45 -41.26 49.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.15 179.039 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 19' ' ' CYS . . . . . . . . . . . . . 2.0 t -63.57 -33.31 75.32 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.157 -179.613 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.47 -154.68 23.57 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.212 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 21' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -81.04 60.99 4.44 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.087 0.47 . . . . 0.0 110.865 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 22' ' ' ARG . . . . . . . . . . . . . 68.3 mtt180 -122.02 -102.53 0.4 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.809 0.814 . . . . 0.0 110.343 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 23' ' ' GLY . . . . . 0.7 ' HA2' ' HD2' ' L' ' 28' ' ' PRO . . . 167.4 170.38 32.15 Favored Glycine 0 N--CA 1.44 -1.099 0 N-CA-C 109.698 -1.361 . . . . 0.0 109.698 -179.494 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 24' ' ' PHE . . . . . 0.783 ' CE1' ' HB3' ' J' ' 16' ' ' TYR . 11.0 p90 -159.36 160.37 34.93 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 117.394 0.597 . . . . 0.0 111.437 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 25' ' ' PHE . . . . . 0.542 ' HD1' ' HD1' ' L' ' 25' ' ' PHE . 14.6 m-85 -103.44 104.51 14.6 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.03 -0.986 . . . . 0.0 108.893 179.585 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 26' ' ' TYR . . . . . 0.461 ' OH ' ' HA3' ' J' ' 8' ' ' GLY . 76.8 t80 -101.39 133.08 46.55 Favored 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 120.377 -0.529 . . . . 0.0 110.562 -179.588 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 27' ' ' THR . . . . . 0.403 ' C ' ' H ' ' J' ' 29' ' ' LYS . 4.8 p -124.52 96.23 41.59 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.134 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 28' ' ' PRO . . . . . 0.933 ' HG3' ' HB2' ' L' ' 16' ' ' TYR . 88.5 Cg_endo -77.2 34.96 0.47 Allowed 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 123.062 2.508 . . . . 0.0 111.708 179.305 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 29' ' ' LYS . . . . . 0.403 ' H ' ' C ' ' J' ' 27' ' ' THR . 86.7 tttt -105.54 134.0 49.38 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.419 -0.809 . . . . 0.0 109.509 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 30' ' ' THR . . . . . 0.446 ' OG1' HG21 ' I' ' 3' ' ' VAL . 25.8 m . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.725 -0.655 . . . . 0.0 109.865 -179.542 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 1' ' ' GLY . . . . . 0.483 ' O ' ' HG2' ' K' ' 5' ' ' GLN . . . . . . . . 0 N--CA 1.486 1.971 0 N-CA-C 112.209 -0.356 . . . . 0.0 112.209 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 2' ' ' ILE . . . . . 0.45 ' CD1' HD11 ' L' ' 15' ' ' LEU . 10.3 tt -64.74 -42.29 94.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.842 0.354 . . . . 0.0 111.484 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' K' K ' 3' ' ' VAL . . . . . . . . . . . . . 33.5 m -69.68 -18.92 22.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 121.323 0.582 . . . . 0.0 111.193 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 4' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -81.68 -31.32 32.29 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.203 -0.908 . . . . 0.0 112.303 -179.005 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 5' ' ' GLN . . . . . 0.593 ' HG3' ' SG ' ' K' ' 11' ' ' CYS . 4.9 pt20 -112.35 -30.82 7.03 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 -178.02 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' K' K ' 6' ' ' CYS . . . . . 0.403 ' HB3' ' H6 ' ' K' ' 22' ' ' IPH . 60.3 m -90.52 -35.81 14.86 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -178.033 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' K' K ' 7' ' ' CYS . . . . . 0.733 ' HB2' HD11 ' L' ' 11' ' ' LEU . 44.8 t -83.41 -6.79 59.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.961 0.41 . . . . 0.0 111.213 -179.232 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' K' K ' 8' ' ' THR . . . . . . . . . . . . . 1.2 p -87.53 -56.06 3.52 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.535 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 9' ' ' SER . . . . . 0.432 ' O ' ' HB ' ' K' ' 10' ' ' ILE . 22.7 p -145.36 24.25 1.43 Allowed 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -179.077 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' K' K ' 10' ' ' ILE . . . . . 0.491 HD13 ' HB3' ' H' ' 3' ' ' ASN . 2.0 mp 71.6 137.42 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 CA-C-O 121.618 0.723 . . . . 0.0 111.673 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' K' K ' 11' ' ' CYS . . . . . 0.593 ' SG ' ' HG3' ' K' ' 5' ' ' GLN . 92.5 m -93.34 156.26 16.9 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.617 179.211 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' K' K ' 12' ' ' SER . . . . . . . . . . . . . 8.3 m -72.32 164.45 26.28 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 178.652 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 13' ' ' LEU . . . . . . . . . . . . . 22.6 tp -52.77 -50.88 62.65 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.262 0.554 . . . . 0.0 111.583 -179.506 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -63.2 -29.2 70.59 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.291 -0.868 . . . . 0.0 112.086 -178.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -71.72 -32.04 67.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.712 0.292 . . . . 0.0 111.135 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 16' ' ' LEU . . . . . . . . . . . . . 94.2 mt -70.31 -29.43 66.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.907 0.384 . . . . 0.0 110.41 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 17' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -66.58 -16.98 64.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.216 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 18' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -68.65 -19.16 64.39 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.482 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 19' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 -101.76 6.6 41.81 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.495 -178.289 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 20' ' ' CYS . . . . . . . . . . . . . 2.1 m -73.3 153.05 40.71 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 21' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 . . . . . 0 C--O 1.252 1.189 0 CA-C-N 115.1 -0.955 . . . . 0.0 109.184 178.83 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' L' L ' 1' ' ' PHE . . . . . . . . . . . . . 9.3 t80 . . . . . 0 N--CA 1.482 1.16 0 N-CA-C 110.132 -0.322 . . . . 0.0 110.132 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' L' L ' 2' ' ' VAL . . . . . . . . . . . . . 34.0 m 41.59 -146.35 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 C-N-CA 124.284 1.034 . . . . 0.0 113.274 -179.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 3' ' ' ASN . . . . . 0.514 ' HB3' HD13 ' C' ' 10' ' ' ILE . 24.4 t-20 -157.32 175.64 13.74 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 -178.043 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' L' L ' 4' ' ' GLN . . . . . 0.793 ' HA ' ' HB3' ' L' ' 7' ' ' CYS . 0.1 OUTLIER -50.38 -28.44 8.08 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 123.603 0.761 . . . . 0.0 110.609 178.713 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' L' L ' 5' ' ' HIS . . . . . . . . . . . . . 57.9 t60 -59.58 -14.8 14.73 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.392 179.095 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 6' ' ' LEU . . . . . 0.785 HD21 ' H4 ' ' C' ' 22' ' ' IPH . 14.6 mt -124.6 -14.12 6.88 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.403 0.62 . . . . 0.0 109.919 178.263 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' L' L ' 7' ' ' CYS . . . . . 0.793 ' HB3' ' HA ' ' L' ' 4' ' ' GLN . 1.7 t -85.01 -42.65 14.67 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.429 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' L' L ' 8' ' ' GLY . . . . . 0.469 ' HA3' ' OH ' ' L' ' 26' ' ' TYR . . . -63.96 -25.85 69.69 Favored Glycine 0 N--CA 1.452 -0.294 0 CA-C-N 116.033 -0.53 . . . . 0.0 114.131 -178.837 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' L' L ' 9' ' ' SER . . . . . 0.689 ' HB2' ' HG2' ' J' ' 13' ' ' GLU . 73.8 p -64.11 -17.99 63.98 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.945 0.402 . . . . 0.0 111.45 -179.224 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' L' L ' 10' ' ' HIS . . . . . 0.719 ' HA ' ' HG3' ' L' ' 13' ' ' GLU . 93.1 m-70 -105.19 -19.71 13.73 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.067 0.46 . . . . 0.0 110.38 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' L' L ' 11' ' ' LEU . . . . . 0.754 ' HA ' ' H5 ' ' K' ' 22' ' ' IPH . 58.0 mt -68.6 -39.22 81.0 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 177.517 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' L' L ' 12' ' ' VAL . . . . . 0.631 ' HA ' ' HB2' ' L' ' 15' ' ' LEU . 15.3 m -68.68 -28.04 38.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 114.662 -1.154 . . . . 0.0 112.175 -179.718 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' L' L ' 13' ' ' GLU . . . . . 0.719 ' HG3' ' HA ' ' L' ' 10' ' ' HIS . 24.0 mt-10 -59.01 -49.32 78.34 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.339 0.59 . . . . 0.0 109.517 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' L' L ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.55 -29.86 62.7 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.619 179.314 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 15' ' ' LEU . . . . . 0.631 ' HB2' ' HA ' ' L' ' 12' ' ' VAL . 4.5 mt -55.42 -61.52 2.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.824 -0.626 . . . . 0.0 112.094 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' L' L ' 16' ' ' TYR . . . . . 0.933 ' HB2' ' HG3' ' J' ' 28' ' ' PRO . 3.8 p90 -72.11 -20.01 61.7 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 120.107 -0.637 . . . . 0.0 111.197 -178.587 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' L' L ' 17' ' ' LEU . . . . . 0.479 HD11 ' H3 ' ' E' ' 22' ' ' IPH . 9.4 tt -66.37 -45.82 78.82 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 178.812 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 68.9 t -73.72 -41.21 54.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.265 178.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 19' ' ' CYS . . . . . . . . . . . . . 2.3 t -64.23 -31.46 72.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.202 -179.467 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.05 -153.37 23.58 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.502 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 21' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -82.33 59.32 4.48 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.173 0.511 . . . . 0.0 111.091 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 22' ' ' ARG . . . . . . . . . . . . . 66.2 mtt180 -120.6 -103.66 0.4 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.719 0.771 . . . . 0.0 110.435 179.368 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 23' ' ' GLY . . . . . 0.721 ' HA2' ' HD2' ' J' ' 28' ' ' PRO . . . 169.08 170.99 34.35 Favored Glycine 0 N--CA 1.44 -1.067 0 N-CA-C 109.682 -1.367 . . . . 0.0 109.682 -179.642 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' L' L ' 24' ' ' PHE . . . . . 0.779 ' CE1' ' HB3' ' L' ' 16' ' ' TYR . 10.5 p90 -159.68 159.74 33.33 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 117.497 0.649 . . . . 0.0 111.361 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' L' L ' 25' ' ' PHE . . . . . 0.542 ' HD1' ' HD1' ' J' ' 25' ' ' PHE . 15.5 m-85 -103.1 104.79 14.99 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.11 -0.95 . . . . 0.0 108.828 179.541 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' L' L ' 26' ' ' TYR . . . . . 0.469 ' OH ' ' HA3' ' L' ' 8' ' ' GLY . 78.1 t80 -102.05 131.08 48.72 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 120.238 -0.585 . . . . 0.0 110.921 -179.362 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' L' L ' 27' ' ' THR . . . . . . . . . . . . . 8.0 p -122.18 96.91 46.01 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.255 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 28' ' ' PRO . . . . . 0.925 ' HG3' ' HB2' ' J' ' 16' ' ' TYR . 98.6 Cg_endo -77.2 33.95 0.45 Allowed 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 123.136 2.557 . . . . 0.0 111.543 179.035 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' L' L ' 29' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -104.5 134.95 46.83 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.27 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 30' ' ' THR . . . . . . . . . . . . . 25.4 m . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.392 -0.813 . . . . 0.0 109.764 -179.6 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 22' ' ' IPH . . . . . 0.785 ' H4 ' HD21 ' F' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 22' ' ' IPH . . . . . 0.785 ' H4 ' HD21 ' L' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 22' ' ' IPH . . . . . 0.785 ' H4 ' HD21 ' J' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 22' ' ' IPH . . . . . 0.798 ' H4 ' HD21 ' D' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 22' ' ' IPH . . . . . 0.789 ' H4 ' HD21 ' B' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 22' ' ' IPH . . . . . 0.773 ' H4 ' HD21 ' H' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.711 ' O ' ' HB3' ' A' ' 5' ' ' GLN . . . . . . . . 0 N--CA 1.476 1.364 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.402 HD11 ' CD1' ' B' ' 15' ' ' LEU . 13.2 tt -91.67 -10.96 9.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 121.231 0.539 . . . . 0.0 111.406 -178.571 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.407 ' CG2' ' HA ' ' B' ' 28' ' ' PRO . 20.0 t -96.87 -86.06 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -179.211 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -60.21 -41.13 92.36 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 -177.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.711 ' HB3' ' O ' ' A' ' 1' ' ' GLY . 23.1 tt0 -62.11 -30.56 71.1 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.663 0.268 . . . . 0.0 110.89 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 90.6 m -105.64 10.28 32.97 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -179.292 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 17.4 t -133.4 39.75 3.21 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.573 0.702 . . . . 0.0 110.497 179.209 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -125.26 -46.12 1.8 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.615 178.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.458 ' O ' ' HB ' ' A' ' 10' ' ' ILE . 15.3 t -150.06 19.87 0.87 Allowed 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 179.462 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.504 ' HA ' ' O1 ' ' A' ' 22' ' ' IPH . 2.8 mp 74.97 125.31 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.225 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.1 m -75.98 162.61 27.93 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.48 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 41.4 p -89.7 162.76 15.41 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.392 178.214 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.948 HD11 HD11 ' G' ' 13' ' ' LEU . 3.0 tt -57.74 -41.79 82.56 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.968 -179.33 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -64.38 -34.96 79.37 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.07 -0.514 . . . . 0.0 112.24 -178.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -69.37 -39.74 77.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.043 0.449 . . . . 0.0 110.876 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.4 ' HB3' HD23 ' B' ' 15' ' ' LEU . 86.5 mt -73.85 -23.42 59.61 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.561 -179.325 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -59.34 -33.05 70.67 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -178.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 21.3 p30 -91.69 12.53 20.9 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.878 0.371 . . . . 0.0 111.898 -179.165 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 15.8 m-30 -107.8 17.6 22.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.353 0.597 . . . . 0.0 110.434 179.335 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 59.1 m -93.22 175.21 6.86 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.59 179.597 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.559 ' HB2' ' HB3' ' B' ' 22' ' ' ARG . 4.2 m120 . . . . . 0 C--O 1.242 0.673 0 CA-C-O 118.525 -0.75 . . . . 0.0 110.03 178.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 36.5 t80 . . . . . 0 N--CA 1.48 1.034 0 CA-C-O 120.729 0.299 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 12.3 p -83.73 62.56 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 CA-C-O 122.518 1.151 . . . . 0.0 111.411 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -152.78 -50.46 0.1 Allowed 'General case' 0 C--O 1.216 -0.703 0 CA-C-N 115.047 -0.979 . . . . 0.0 108.656 178.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -49.96 -52.17 35.73 Favored 'General case' 0 N--CA 1.464 0.273 0 O-C-N 123.811 0.694 . . . . 0.0 111.827 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' HIS . . . . . 0.431 ' CE1' HD22 ' D' ' 17' ' ' LEU . 67.4 t60 -59.7 -39.17 83.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.786 0.327 . . . . 0.0 111.043 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 mt -78.95 -23.49 44.54 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.588 0.709 . . . . 0.0 110.1 -179.008 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 41.3 t -75.65 -47.05 28.02 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.454 -1.248 . . . . 0.0 110.511 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' GLY . . . . . 0.521 ' HA2' ' HG ' ' B' ' 11' ' ' LEU . . . -56.97 -32.62 62.67 Favored Glycine 0 N--CA 1.451 -0.317 0 CA-C-N 115.785 -0.643 . . . . 0.0 113.725 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 9' ' ' SER . . . . . 0.497 ' HB2' ' HE1' ' J' ' 10' ' ' HIS . 0.7 OUTLIER -65.89 -1.68 3.18 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.849 0.356 . . . . 0.0 111.772 -179.703 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 10' ' ' HIS . . . . . 0.496 ' HE1' ' HB2' ' F' ' 9' ' ' SER . 92.0 m-70 -109.92 -35.86 6.04 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 178.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.521 ' HG ' ' HA2' ' B' ' 8' ' ' GLY . 0.7 OUTLIER -66.5 -28.51 68.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.715 179.546 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.68 ' O ' ' HB2' ' B' ' 16' ' ' TYR . 16.3 m -56.24 -48.65 79.16 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.605 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.969 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -56.5 -51.08 69.84 Favored 'General case' 0 N--CA 1.464 0.231 0 O-C-N 123.219 0.324 . . . . 0.0 111.086 179.507 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.619 ' CB ' ' H5 ' ' A' ' 22' ' ' IPH . . . -52.17 -52.03 54.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.247 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.402 ' CD1' HD11 ' A' ' 2' ' ' ILE . 76.2 mt -69.24 -33.71 73.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.331 0.586 . . . . 0.0 110.722 179.451 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 16' ' ' TYR . . . . . 0.68 ' HB2' ' O ' ' B' ' 12' ' ' VAL . 0.6 OUTLIER -67.05 -20.56 65.85 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.177 -179.188 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.476 HD13 ' HA ' ' B' ' 17' ' ' LEU . 0.5 OUTLIER -89.05 -47.96 7.75 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 178.559 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 62.0 t -69.12 -46.88 77.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.898 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 1.6 m -101.26 32.49 3.25 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.367 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.92 -38.34 93.97 Favored Glycine 0 N--CA 1.451 -0.362 0 CA-C-N 116.148 -0.478 . . . . 0.0 114.285 -178.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -90.21 6.72 41.54 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 117.242 0.521 . . . . 0.0 112.122 -178.592 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' ARG . . . . . 0.559 ' HB3' ' HB2' ' A' ' 21' ' ' ASN . 93.8 mtt180 -125.84 -79.18 0.6 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.745 0.783 . . . . 0.0 110.147 178.776 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 23' ' ' GLY . . . . . 0.424 ' HA3' ' HA ' ' D' ' 27' ' ' THR . . . 148.32 175.78 21.22 Favored Glycine 0 N--CA 1.439 -1.16 0 CA-C-N 114.373 -1.285 . . . . 0.0 109.983 -179.115 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 20.3 p90 -140.4 143.05 35.45 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.341 0.591 . . . . 0.0 110.876 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' PHE . . . . . 0.404 ' H ' ' HD1' ' B' ' 25' ' ' PHE . 2.3 p90 -97.29 106.0 18.25 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 179.201 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.458 ' CE2' ' HG3' ' B' ' 28' ' ' PRO . 38.3 t80 -97.65 96.71 8.46 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.973 -178.419 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 27' ' ' THR . . . . . 0.428 ' HA ' ' HA3' ' D' ' 23' ' ' GLY . 38.5 m -115.54 97.57 48.93 Favored Pre-proline 0 C--N 1.318 -0.782 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.23 179.617 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 28' ' ' PRO . . . . . 0.458 ' HG3' ' CE2' ' B' ' 26' ' ' TYR . 16.7 Cg_exo -67.52 -20.47 47.58 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 123.07 2.513 . . . . 0.0 111.816 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.22 112.67 5.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.396 179.733 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 1.8 p . . . . . 0 C--O 1.247 0.97 0 CA-C-O 119.207 -0.425 . . . . 0.0 110.418 179.725 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 1' ' ' GLY . . . . . 0.698 ' O ' ' HB3' ' C' ' 5' ' ' GLN . . . . . . . . 0 N--CA 1.478 1.486 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 2' ' ' ILE . . . . . 0.415 HD11 ' CD1' ' D' ' 15' ' ' LEU . 13.6 tt -90.85 -10.63 10.0 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-O 121.412 0.625 . . . . 0.0 111.447 -178.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 3' ' ' VAL . . . . . 0.407 ' CG2' ' HA ' ' D' ' 28' ' ' PRO . 19.1 t -96.88 -86.49 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -178.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -60.4 -40.66 91.76 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.678 0.621 . . . . 0.0 112.678 -178.167 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 5' ' ' GLN . . . . . 0.698 ' HB3' ' O ' ' C' ' 1' ' ' GLY . 21.3 tt0 -62.23 -31.38 71.92 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 121.159 -0.216 . . . . 0.0 110.788 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 91.5 m -104.83 9.67 34.74 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -179.225 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 7' ' ' CYS . . . . . . . . . . . . . 16.8 t -132.59 40.48 3.27 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.58 0.705 . . . . 0.0 110.469 179.168 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -125.75 -47.21 1.69 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.281 178.736 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 9' ' ' SER . . . . . 0.429 ' O ' ' HB ' ' C' ' 10' ' ' ILE . 18.6 t -149.16 21.48 0.96 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.315 179.322 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 10' ' ' ILE . . . . . 0.496 ' HA ' ' O1 ' ' C' ' 22' ' ' IPH . 2.9 mp 73.64 125.23 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.36 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 2.8 m -76.02 164.17 26.42 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.482 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 35.9 p -91.13 162.66 14.58 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 178.322 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 13' ' ' LEU . . . . . 0.973 HD11 HD11 ' I' ' 13' ' ' LEU . 3.0 tt -57.78 -41.78 82.78 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.044 0.45 . . . . 0.0 111.024 -179.205 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -63.97 -35.66 81.42 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.931 -0.577 . . . . 0.0 112.257 -179.037 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -68.88 -39.64 79.67 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.018 0.437 . . . . 0.0 110.884 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 16' ' ' LEU . . . . . 0.407 ' HB3' HD23 ' D' ' 15' ' ' LEU . 84.6 mt -73.95 -22.73 59.54 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.562 -179.501 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -60.55 -31.83 70.92 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -178.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 22.0 p30 -93.08 14.66 17.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.015 0.436 . . . . 0.0 111.467 -179.206 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 15.8 m-30 -110.33 19.38 18.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.303 0.573 . . . . 0.0 110.369 179.243 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 58.3 m -94.96 175.67 6.55 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.514 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 21' ' ' ASN . . . . . 0.575 ' HB2' ' HB3' ' D' ' 22' ' ' ARG . 4.3 m120 . . . . . 0 C--O 1.247 0.929 0 CA-C-O 118.29 -0.862 . . . . 0.0 110.185 178.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 35.8 t80 . . . . . 0 N--CA 1.484 1.232 0 CA-C-O 120.735 0.302 . . . . 0.0 111.306 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 2' ' ' VAL . . . . . 0.411 HG13 ' O ' ' D' ' 2' ' ' VAL . 10.7 p -83.16 63.8 0.37 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 CA-C-O 122.492 1.139 . . . . 0.0 111.077 179.494 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 3' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -154.59 -50.66 0.09 Allowed 'General case' 0 C--O 1.214 -0.783 0 CA-C-N 115.097 -0.956 . . . . 0.0 108.494 178.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -49.76 -52.56 30.91 Favored 'General case' 0 N--CA 1.465 0.3 0 O-C-N 123.751 0.657 . . . . 0.0 111.658 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 5' ' ' HIS . . . . . 0.411 ' CE1' HD22 ' B' ' 17' ' ' LEU . 63.8 t60 -58.91 -40.25 83.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.793 0.33 . . . . 0.0 111.077 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 mt -78.56 -21.46 48.68 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.455 0.645 . . . . 0.0 110.231 -179.286 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 7' ' ' CYS . . . . . . . . . . . . . 39.0 t -78.0 -46.75 20.18 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.72 -1.127 . . . . 0.0 110.291 -179.358 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 8' ' ' GLY . . . . . 0.511 ' HA2' ' HG ' ' D' ' 11' ' ' LEU . . . -57.3 -32.12 63.38 Favored Glycine 0 N--CA 1.45 -0.421 0 CA-C-N 115.758 -0.655 . . . . 0.0 113.669 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 9' ' ' SER . . . . . 0.53 ' HB2' ' HE1' ' H' ' 10' ' ' HIS . 0.7 OUTLIER -66.63 0.3 2.39 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.009 0.433 . . . . 0.0 111.86 -179.777 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 10' ' ' HIS . . . . . 0.518 ' HE1' ' HB2' ' L' ' 9' ' ' SER . 91.5 m-70 -111.51 -36.34 5.54 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 178.644 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 11' ' ' LEU . . . . . 0.511 ' HG ' ' HA2' ' D' ' 8' ' ' GLY . 0.7 OUTLIER -66.45 -27.92 68.19 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.71 179.465 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 12' ' ' VAL . . . . . 0.667 ' O ' ' HB2' ' D' ' 16' ' ' TYR . 16.0 m -56.7 -48.58 80.59 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.603 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.918 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -56.36 -51.33 68.7 Favored 'General case' 0 N--CA 1.464 0.235 0 O-C-N 123.247 0.342 . . . . 0.0 111.154 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 14' ' ' ALA . . . . . 0.606 ' CB ' ' H5 ' ' C' ' 22' ' ' IPH . . . -52.46 -51.3 60.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.412 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 15' ' ' LEU . . . . . 0.415 ' CD1' HD11 ' C' ' 2' ' ' ILE . 76.7 mt -69.68 -33.35 72.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.32 0.581 . . . . 0.0 110.669 179.292 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 16' ' ' TYR . . . . . 0.667 ' HB2' ' O ' ' D' ' 12' ' ' VAL . 0.6 OUTLIER -67.65 -20.02 65.27 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.007 -179.104 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 17' ' ' LEU . . . . . 0.476 ' HA ' HD13 ' D' ' 17' ' ' LEU . 0.5 OUTLIER -89.28 -48.53 7.3 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.027 0.442 . . . . 0.0 109.865 178.565 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 60.4 t -68.47 -47.01 79.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.996 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 19' ' ' CYS . . . . . . . . . . . . . 1.6 m -101.55 32.94 3.13 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.528 -179.526 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.27 -37.9 93.73 Favored Glycine 0 CA--C 1.517 0.191 0 CA-C-N 115.997 -0.547 . . . . 0.0 114.214 -178.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -90.9 7.47 39.91 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 117.049 0.424 . . . . 0.0 112.12 -178.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 22' ' ' ARG . . . . . 0.575 ' HB3' ' HB2' ' C' ' 21' ' ' ASN . 94.2 mtt180 -126.94 -77.51 0.58 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.862 0.839 . . . . 0.0 110.373 178.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 23' ' ' GLY . . . . . 0.428 ' HA3' ' HA ' ' B' ' 27' ' ' THR . . . 146.14 175.81 19.48 Favored Glycine 0 N--CA 1.438 -1.172 0 CA-C-N 114.398 -1.274 . . . . 0.0 110.18 -178.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 24' ' ' PHE . . . . . . . . . . . . . 18.8 p90 -140.99 143.05 34.24 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.241 0.544 . . . . 0.0 110.928 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 25' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -97.25 105.46 17.61 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 26' ' ' TYR . . . . . 0.43 ' CE2' ' HG3' ' D' ' 28' ' ' PRO . 37.8 t80 -97.15 96.86 8.73 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.543 -0.463 . . . . 0.0 111.135 -178.496 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 27' ' ' THR . . . . . 0.424 ' HA ' ' HA3' ' B' ' 23' ' ' GLY . 39.0 m -115.74 97.7 49.46 Favored Pre-proline 0 C--N 1.32 -0.692 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.303 179.452 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 28' ' ' PRO . . . . . 0.43 ' HG3' ' CE2' ' D' ' 26' ' ' TYR . 16.5 Cg_exo -67.32 -21.03 48.17 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 123.2 2.6 . . . . 0.0 111.766 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 29' ' ' LYS . . . . . 0.423 ' HZ2' ' HB3' ' D' ' 29' ' ' LYS . 0.0 OUTLIER -67.87 113.42 5.59 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.454 179.413 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 C--O 1.249 1.068 0 CA-C-O 119.075 -0.488 . . . . 0.0 110.369 -179.914 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' E' E ' 1' ' ' GLY . . . . . 0.71 ' O ' ' HB3' ' E' ' 5' ' ' GLN . . . . . . . . 0 N--CA 1.482 1.752 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 2' ' ' ILE . . . . . 0.414 HD11 ' CD1' ' F' ' 15' ' ' LEU . 14.6 tt -91.25 -14.41 8.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-O 121.097 0.475 . . . . 0.0 110.993 -178.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 3' ' ' VAL . . . . . 0.416 ' CG2' ' HA ' ' F' ' 28' ' ' PRO . 19.4 t -93.6 -87.41 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 112.419 0.525 . . . . 0.0 112.419 -179.311 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 4' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -59.44 -41.15 88.95 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -177.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 5' ' ' GLN . . . . . 0.71 ' HB3' ' O ' ' E' ' 1' ' ' GLY . 22.5 tt0 -61.21 -32.15 71.92 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.665 0.269 . . . . 0.0 110.866 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 6' ' ' CYS . . . . . . . . . . . . . 86.1 m -104.28 10.12 35.7 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -179.372 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 7' ' ' CYS . . . . . . . . . . . . . 19.4 t -132.92 39.53 3.3 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.492 0.663 . . . . 0.0 110.269 179.294 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -124.55 -47.89 1.83 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.197 178.659 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 9' ' ' SER . . . . . 0.446 ' O ' ' HB ' ' E' ' 10' ' ' ILE . 20.6 t -148.32 21.36 1.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.868 0.366 . . . . 0.0 110.26 179.174 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 10' ' ' ILE . . . . . 0.508 ' HA ' ' O1 ' ' E' ' 22' ' ' IPH . 2.8 mp 74.4 123.89 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.438 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 11' ' ' CYS . . . . . . . . . . . . . 3.3 m -74.48 163.57 27.6 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.422 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 12' ' ' SER . . . . . . . . . . . . . 33.1 p -90.93 162.05 14.92 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 178.217 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 13' ' ' LEU . . . . . 0.936 HD11 HD11 ' K' ' 13' ' ' LEU . 3.0 tt -56.71 -42.68 79.58 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.202 -179.206 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -62.97 -36.9 85.04 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.936 -179.23 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -67.35 -40.22 85.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.968 0.413 . . . . 0.0 111.14 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 16' ' ' LEU . . . . . 0.408 ' HB3' HD23 ' F' ' 15' ' ' LEU . 84.3 mt -74.02 -21.89 59.79 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.577 -179.378 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 17' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -60.65 -33.27 72.56 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 112.127 0.418 . . . . 0.0 112.127 -178.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 18' ' ' ASN . . . . . . . . . . . . . 21.1 p30 -91.55 13.07 18.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.87 0.367 . . . . 0.0 111.678 -179.267 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 19' ' ' TYR . . . . . . . . . . . . . 16.2 m-30 -108.08 18.24 21.4 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.318 0.58 . . . . 0.0 110.349 179.22 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 20' ' ' CYS . . . . . . . . . . . . . 58.3 m -93.84 175.81 6.58 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.589 179.613 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 21' ' ' ASN . . . . . 0.553 ' HB2' ' HB3' ' F' ' 22' ' ' ARG . 4.0 m120 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.445 -0.788 . . . . 0.0 110.291 179.013 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 1' ' ' PHE . . . . . . . . . . . . . 36.6 t80 . . . . . 0 N--CA 1.481 1.083 0 CA-C-O 120.883 0.373 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' F' F ' 2' ' ' VAL . . . . . . . . . . . . . 11.2 p -82.21 63.35 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 CA-C-O 122.579 1.18 . . . . 0.0 111.204 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 3' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -153.96 -50.73 0.09 Allowed 'General case' 0 C--O 1.214 -0.807 0 CA-C-N 115.069 -0.968 . . . . 0.0 108.463 178.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 4' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -49.51 -52.4 29.79 Favored 'General case' 0 N--CA 1.462 0.156 0 O-C-N 123.679 0.612 . . . . 0.0 111.836 179.406 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 5' ' ' HIS . . . . . 0.419 ' CE1' HD22 ' H' ' 17' ' ' LEU . 64.8 t60 -59.07 -40.06 84.03 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.794 0.331 . . . . 0.0 111.093 -179.686 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 6' ' ' LEU . . . . . . . . . . . . . 4.1 mt -78.97 -22.06 46.18 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.551 0.691 . . . . 0.0 110.068 -178.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 7' ' ' CYS . . . . . . . . . . . . . 39.9 t -77.21 -46.78 22.12 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.643 -1.162 . . . . 0.0 110.207 -179.495 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 8' ' ' GLY . . . . . 0.515 ' HA2' ' HG ' ' F' ' 11' ' ' LEU . . . -57.19 -32.29 63.16 Favored Glycine 0 N--CA 1.452 -0.26 0 CA-C-N 115.778 -0.647 . . . . 0.0 113.776 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 9' ' ' SER . . . . . 0.496 ' HB2' ' HE1' ' B' ' 10' ' ' HIS . 0.7 OUTLIER -66.1 -1.64 3.38 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.937 0.399 . . . . 0.0 111.681 -179.6 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' F' F ' 10' ' ' HIS . . . . . 0.497 ' HE1' ' HB2' ' J' ' 9' ' ' SER . 91.8 m-70 -109.66 -36.15 6.02 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 178.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 11' ' ' LEU . . . . . 0.515 ' HG ' ' HA2' ' F' ' 8' ' ' GLY . 0.6 OUTLIER -66.52 -27.88 68.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.769 179.561 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' F' F ' 12' ' ' VAL . . . . . 0.667 ' O ' ' HB2' ' F' ' 16' ' ' TYR . 16.3 m -56.73 -48.73 80.45 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.684 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.803 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 13' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -56.22 -51.49 67.88 Favored 'General case' 0 N--CA 1.464 0.227 0 O-C-N 123.257 0.348 . . . . 0.0 111.049 179.502 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 14' ' ' ALA . . . . . 0.597 ' CB ' ' H5 ' ' E' ' 22' ' ' IPH . . . -52.3 -51.66 57.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.261 -179.734 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 15' ' ' LEU . . . . . 0.414 ' CD1' HD11 ' E' ' 2' ' ' ILE . 77.4 mt -69.32 -33.33 72.98 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.384 0.612 . . . . 0.0 110.789 179.283 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 16' ' ' TYR . . . . . 0.667 ' HB2' ' O ' ' F' ' 12' ' ' VAL . 0.6 OUTLIER -67.37 -20.65 65.59 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.99 -179.115 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' F' F ' 17' ' ' LEU . . . . . 0.483 ' HA ' HD13 ' F' ' 17' ' ' LEU . 0.5 OUTLIER -89.18 -46.96 8.41 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.144 0.497 . . . . 0.0 110.135 178.747 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 60.6 t -70.54 -43.84 77.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.132 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 m -104.66 33.24 3.66 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.117 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.96 -35.05 90.82 Favored Glycine 0 CA--C 1.516 0.099 0 N-CA-C 114.55 0.58 . . . . 0.0 114.55 -178.532 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 21' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -93.21 7.97 42.12 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 117.104 0.452 . . . . 0.0 112.081 -179.098 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 22' ' ' ARG . . . . . 0.553 ' HB3' ' HB2' ' E' ' 21' ' ' ASN . 94.3 mtt180 -127.57 -78.99 0.58 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.779 0.8 . . . . 0.0 109.959 178.779 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 23' ' ' GLY . . . . . . . . . . . . . . . 148.26 175.83 21.22 Favored Glycine 0 N--CA 1.441 -1.014 0 CA-C-N 114.368 -1.287 . . . . 0.0 110.215 -179.279 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 24' ' ' PHE . . . . . . . . . . . . . 18.7 p90 -140.76 142.89 34.69 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 121.222 0.535 . . . . 0.0 110.737 179.639 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 25' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -97.2 106.77 19.16 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 179.207 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 26' ' ' TYR . . . . . 0.448 ' CE2' ' HG3' ' F' ' 28' ' ' PRO . 38.8 t80 -98.64 96.36 7.89 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.932 -178.414 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 27' ' ' THR . . . . . 0.417 ' HA ' ' HA3' ' H' ' 23' ' ' GLY . 38.9 m -115.28 97.92 49.38 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.444 179.413 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 28' ' ' PRO . . . . . 0.448 ' HG3' ' CE2' ' F' ' 26' ' ' TYR . 16.7 Cg_exo -67.72 -20.28 46.53 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 123.244 2.629 . . . . 0.0 111.727 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.38 112.97 5.56 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.336 179.315 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 30' ' ' THR . . . . . . . . . . . . . 1.1 p . . . . . 0 C--O 1.248 0.986 0 CA-C-O 118.994 -0.527 . . . . 0.0 109.746 179.563 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' G' G ' 1' ' ' GLY . . . . . 0.682 ' O ' ' HB3' ' G' ' 5' ' ' GLN . . . . . . . . 0 N--CA 1.481 1.635 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 2' ' ' ILE . . . . . 0.414 HD11 HD11 ' H' ' 15' ' ' LEU . 13.0 tt -92.92 -11.5 9.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-O 121.515 0.674 . . . . 0.0 111.164 -178.767 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 3' ' ' VAL . . . . . 0.401 ' CG2' ' HA ' ' H' ' 28' ' ' PRO . 18.8 t -95.95 -87.71 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.138 -0.483 . . . . 0.0 112.028 -179.195 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 4' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -59.54 -40.97 88.94 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -178.063 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 5' ' ' GLN . . . . . 0.682 ' HB3' ' O ' ' G' ' 1' ' ' GLY . 20.7 tt0 -61.16 -31.7 71.43 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 121.107 -0.237 . . . . 0.0 110.674 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 6' ' ' CYS . . . . . . . . . . . . . 88.0 m -104.82 9.97 34.66 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -179.323 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 7' ' ' CYS . . . . . . . . . . . . . 17.1 t -132.62 39.24 3.37 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.524 0.678 . . . . 0.0 110.459 179.265 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -124.88 -45.96 1.86 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.462 178.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 9' ' ' SER . . . . . 0.423 ' O ' ' HB ' ' G' ' 10' ' ' ILE . 19.0 t -150.38 21.6 0.83 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.979 0.419 . . . . 0.0 110.259 179.387 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 10' ' ' ILE . . . . . 0.488 ' HA ' ' O1 ' ' G' ' 22' ' ' IPH . 2.8 mp 73.54 125.51 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.53 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 11' ' ' CYS . . . . . . . . . . . . . 3.3 m -76.57 162.69 27.57 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.481 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 12' ' ' SER . . . . . . . . . . . . . 43.7 p -90.01 161.89 15.64 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.471 178.116 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 13' ' ' LEU . . . . . 0.948 HD11 HD11 ' A' ' 13' ' ' LEU . 3.0 tt -57.07 -41.15 78.28 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.15 -179.027 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -64.84 -35.29 80.64 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.074 -0.512 . . . . 0.0 112.088 -179.063 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -68.81 -40.45 79.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.989 0.423 . . . . 0.0 110.78 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 16' ' ' LEU . . . . . 0.4 ' HB3' HD23 ' H' ' 15' ' ' LEU . 86.6 mt -73.24 -22.68 60.37 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.859 -179.381 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 17' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -60.64 -32.71 71.86 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -178.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 18' ' ' ASN . . . . . . . . . . . . . 20.5 p30 -92.36 15.15 14.52 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.938 0.399 . . . . 0.0 111.573 -179.28 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 19' ' ' TYR . . . . . . . . . . . . . 15.4 m-30 -110.24 18.38 19.97 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.336 0.588 . . . . 0.0 110.242 179.183 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 20' ' ' CYS . . . . . . . . . . . . . 57.8 m -94.0 175.52 6.68 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.52 179.476 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 21' ' ' ASN . . . . . 0.525 ' HB2' ' HB3' ' H' ' 22' ' ' ARG . 4.7 m120 . . . . . 0 C--O 1.245 0.85 0 CA-C-O 118.75 -0.643 . . . . 0.0 109.676 178.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 1' ' ' PHE . . . . . . . . . . . . . 35.3 t80 . . . . . 0 N--CA 1.483 1.177 0 CA-C-O 120.766 0.317 . . . . 0.0 111.45 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' H' H ' 2' ' ' VAL . . . . . 0.414 HG13 ' O ' ' H' ' 2' ' ' VAL . 11.1 p -83.18 64.01 0.38 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 CA-C-O 122.616 1.198 . . . . 0.0 111.022 179.736 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' H' H ' 3' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -154.09 -51.15 0.09 Allowed 'General case' 0 C--O 1.215 -0.736 0 CA-C-N 114.899 -1.046 . . . . 0.0 108.466 178.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 4' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -49.34 -52.73 26.19 Favored 'General case' 0 N--CA 1.463 0.212 0 O-C-N 123.807 0.692 . . . . 0.0 111.8 179.636 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 5' ' ' HIS . . . . . 0.404 ' CE1' HD22 ' F' ' 17' ' ' LEU . 64.3 t60 -58.78 -40.48 84.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.861 0.363 . . . . 0.0 111.176 -179.576 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' H' H ' 6' ' ' LEU . . . . . . . . . . . . . 4.2 mt -77.81 -23.53 49.05 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.452 0.644 . . . . 0.0 110.215 -179.182 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 7' ' ' CYS . . . . . . . . . . . . . 42.2 t -76.02 -46.99 26.59 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 114.709 -1.132 . . . . 0.0 110.527 -179.537 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 8' ' ' GLY . . . . . 0.521 ' HA2' ' HG ' ' H' ' 11' ' ' LEU . . . -57.09 -32.36 62.87 Favored Glycine 0 N--CA 1.453 -0.206 0 CA-C-N 115.669 -0.696 . . . . 0.0 113.779 -179.734 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' H' H ' 9' ' ' SER . . . . . 0.501 ' HB2' ' HE1' ' L' ' 10' ' ' HIS . 0.7 OUTLIER -65.86 -2.25 3.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.988 0.423 . . . . 0.0 111.756 -179.667 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' H' H ' 10' ' ' HIS . . . . . 0.53 ' HE1' ' HB2' ' D' ' 9' ' ' SER . 92.2 m-70 -109.33 -35.88 6.16 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 178.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' H' H ' 11' ' ' LEU . . . . . 0.521 ' HG ' ' HA2' ' H' ' 8' ' ' GLY . 0.7 OUTLIER -66.52 -28.58 68.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.653 179.477 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' H' H ' 12' ' ' VAL . . . . . 0.665 ' O ' ' HB2' ' H' ' 16' ' ' TYR . 16.4 m -56.07 -49.17 77.19 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.633 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' H' H ' 13' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -55.82 -51.42 67.55 Favored 'General case' 0 N--CA 1.464 0.259 0 O-C-N 123.293 0.37 . . . . 0.0 111.235 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 14' ' ' ALA . . . . . 0.614 ' CB ' ' H5 ' ' G' ' 22' ' ' IPH . . . -52.47 -51.07 61.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.473 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' H' H ' 15' ' ' LEU . . . . . 0.414 HD11 HD11 ' G' ' 2' ' ' ILE . 75.8 mt -70.07 -32.88 71.18 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.44 0.638 . . . . 0.0 110.774 179.326 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' H' H ' 16' ' ' TYR . . . . . 0.665 ' HB2' ' O ' ' H' ' 12' ' ' VAL . 0.6 OUTLIER -67.8 -20.6 65.21 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.003 -179.158 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' H' H ' 17' ' ' LEU . . . . . 0.516 HD13 ' HA ' ' H' ' 17' ' ' LEU . 0.6 OUTLIER -88.99 -48.61 7.31 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 178.528 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 59.1 t -68.33 -45.22 82.91 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.326 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 19' ' ' CYS . . . . . . . . . . . . . 1.6 m -103.36 32.32 3.86 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.337 -179.532 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.89 -37.27 92.32 Favored Glycine 0 CA--C 1.519 0.29 0 CA-C-N 115.882 -0.599 . . . . 0.0 114.573 -178.576 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 21' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -92.12 7.61 41.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 117.151 0.476 . . . . 0.0 111.908 -178.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 22' ' ' ARG . . . . . 0.525 ' HB3' ' HB2' ' G' ' 21' ' ' ASN . 93.5 mtt180 -126.33 -79.38 0.6 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.691 0.758 . . . . 0.0 110.164 178.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' H' H ' 23' ' ' GLY . . . . . 0.417 ' HA3' ' HA ' ' F' ' 27' ' ' THR . . . 148.22 176.58 21.82 Favored Glycine 0 N--CA 1.44 -1.074 0 CA-C-N 114.467 -1.242 . . . . 0.0 110.211 -179.189 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' H' H ' 24' ' ' PHE . . . . . . . . . . . . . 19.2 p90 -141.73 142.92 33.29 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.19 0.519 . . . . 0.0 110.868 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 25' ' ' PHE . . . . . 0.402 ' H ' ' HD1' ' H' ' 25' ' ' PHE . 2.2 p90 -97.32 106.46 18.78 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 179.313 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' H' H ' 26' ' ' TYR . . . . . 0.447 ' CE2' ' HG3' ' H' ' 28' ' ' PRO . 39.0 t80 -98.17 96.24 7.96 Favored 'General case' 0 C--N 1.318 -0.773 0 C-N-CA 120.574 -0.45 . . . . 0.0 111.095 -178.475 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' H' H ' 27' ' ' THR . . . . . . . . . . . . . 37.0 m -115.01 98.08 49.43 Favored Pre-proline 0 C--N 1.319 -0.725 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.231 179.645 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 28' ' ' PRO . . . . . 0.447 ' HG3' ' CE2' ' H' ' 26' ' ' TYR . 15.7 Cg_exo -67.86 -19.98 45.99 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 123.153 2.568 . . . . 0.0 111.749 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' H' H ' 29' ' ' LYS . . . . . 0.412 ' HZ2' ' HB3' ' H' ' 29' ' ' LYS . 0.0 OUTLIER -68.92 113.05 5.98 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 179.483 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' H' H ' 30' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 C--O 1.249 1.037 0 CA-C-O 119.081 -0.485 . . . . 0.0 110.241 179.899 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' I' I ' 1' ' ' GLY . . . . . 0.717 ' O ' ' HB3' ' I' ' 5' ' ' GLN . . . . . . . . 0 N--CA 1.483 1.773 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 2' ' ' ILE . . . . . 0.408 HD11 ' CD1' ' J' ' 15' ' ' LEU . 13.5 tt -91.53 -12.18 9.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-O 121.138 0.494 . . . . 0.0 111.364 -178.561 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' I' I ' 3' ' ' VAL . . . . . 0.412 ' CG2' ' HA ' ' J' ' 28' ' ' PRO . 20.6 t -95.33 -86.72 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -179.234 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' I' I ' 4' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -60.32 -41.46 93.55 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 -178.198 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 5' ' ' GLN . . . . . 0.717 ' HB3' ' O ' ' I' ' 1' ' ' GLY . 21.1 tt0 -60.8 -31.43 70.81 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.553 0.216 . . . . 0.0 110.768 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' I' I ' 6' ' ' CYS . . . . . . . . . . . . . 89.1 m -104.92 9.9 34.47 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 7' ' ' CYS . . . . . . . . . . . . . 17.4 t -133.22 40.64 3.17 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.521 0.676 . . . . 0.0 110.468 179.261 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -125.86 -46.44 1.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.292 179.039 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' I' I ' 9' ' ' SER . . . . . 0.449 ' O ' ' HB ' ' I' ' 10' ' ' ILE . 14.1 t -150.35 21.57 0.84 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.0 179.29 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' I' I ' 10' ' ' ILE . . . . . 0.504 ' HA ' ' O1 ' ' I' ' 22' ' ' IPH . 2.8 mp 74.04 127.22 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.269 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' I' I ' 11' ' ' CYS . . . . . . . . . . . . . 2.3 m -77.74 163.89 25.74 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.328 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 12' ' ' SER . . . . . . . . . . . . . 24.5 p -91.02 161.96 14.91 Favored 'General case' 0 N--CA 1.445 -0.71 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 178.049 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 13' ' ' LEU . . . . . 0.973 HD11 HD11 ' C' ' 13' ' ' LEU . 3.1 tt -57.24 -41.7 80.07 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.158 -179.003 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -64.13 -35.87 82.18 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.071 -0.513 . . . . 0.0 112.019 -179.26 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -68.12 -40.27 82.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.004 0.431 . . . . 0.0 110.891 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 16' ' ' LEU . . . . . 0.41 ' HB3' HD23 ' J' ' 15' ' ' LEU . 82.7 mt -73.89 -22.71 59.61 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.529 -179.136 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' I' I ' 17' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -60.33 -31.79 70.62 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -178.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 18' ' ' ASN . . . . . . . . . . . . . 20.0 p30 -93.12 13.33 21.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.941 0.401 . . . . 0.0 111.671 -179.096 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 19' ' ' TYR . . . . . . . . . . . . . 16.2 m-30 -109.12 19.18 19.79 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.176 0.513 . . . . 0.0 110.352 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 20' ' ' CYS . . . . . . . . . . . . . 59.1 m -94.9 175.66 6.56 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.195 179.502 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 21' ' ' ASN . . . . . 0.545 ' HB2' ' HB3' ' J' ' 22' ' ' ARG . 4.6 m120 . . . . . 0 C--O 1.246 0.885 0 CA-C-O 118.792 -0.623 . . . . 0.0 109.613 178.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 1' ' ' PHE . . . . . . . . . . . . . 36.8 t80 . . . . . 0 N--CA 1.48 1.028 0 CA-C-O 120.639 0.257 . . . . 0.0 111.073 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' J' J ' 2' ' ' VAL . . . . . 0.419 ' O ' HG13 ' J' ' 2' ' ' VAL . 13.1 p -81.86 63.12 0.31 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 CA-C-O 122.502 1.144 . . . . 0.0 110.977 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' J' J ' 3' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -153.44 -50.68 0.1 Allowed 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 178.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 4' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -49.76 -52.66 30.09 Favored 'General case' 0 N--CA 1.464 0.248 0 O-C-N 123.773 0.671 . . . . 0.0 111.814 179.474 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 5' ' ' HIS . . . . . 0.406 ' CE1' HD22 ' L' ' 17' ' ' LEU . 66.3 t60 -59.06 -39.76 83.07 Favored 'General case' 0 C--O 1.224 -0.284 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.071 -179.736 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' J' J ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 mt -78.52 -23.14 46.42 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.443 0.639 . . . . 0.0 110.138 -179.183 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 7' ' ' CYS . . . . . . . . . . . . . 38.7 t -76.12 -46.85 26.81 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.618 -1.174 . . . . 0.0 110.649 -179.674 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 8' ' ' GLY . . . . . 0.533 ' HA2' ' HG ' ' J' ' 11' ' ' LEU . . . -57.41 -32.07 63.75 Favored Glycine 0 N--CA 1.452 -0.24 0 CA-C-N 115.725 -0.67 . . . . 0.0 113.722 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' J' J ' 9' ' ' SER . . . . . 0.497 ' HB2' ' HE1' ' F' ' 10' ' ' HIS . 0.7 OUTLIER -66.18 -2.0 3.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.966 0.412 . . . . 0.0 111.698 -179.81 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' J' J ' 10' ' ' HIS . . . . . 0.497 ' HE1' ' HB2' ' B' ' 9' ' ' SER . 92.3 m-70 -109.35 -35.78 6.18 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 178.805 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' J' J ' 11' ' ' LEU . . . . . 0.533 ' HG ' ' HA2' ' J' ' 8' ' ' GLY . 0.7 OUTLIER -66.81 -28.43 68.36 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.685 179.64 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' J' J ' 12' ' ' VAL . . . . . 0.667 ' O ' ' HB2' ' J' ' 16' ' ' TYR . 16.8 m -56.16 -48.63 78.95 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.587 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.867 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' J' J ' 13' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -56.07 -51.73 66.8 Favored 'General case' 0 N--CA 1.465 0.297 0 O-C-N 123.243 0.34 . . . . 0.0 111.003 179.502 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 14' ' ' ALA . . . . . 0.61 ' CB ' ' H5 ' ' I' ' 22' ' ' IPH . . . -52.14 -51.57 57.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.353 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' J' J ' 15' ' ' LEU . . . . . 0.41 HD23 ' HB3' ' I' ' 16' ' ' LEU . 74.9 mt -69.88 -32.52 70.91 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.449 0.642 . . . . 0.0 110.822 179.48 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' J' J ' 16' ' ' TYR . . . . . 0.667 ' HB2' ' O ' ' J' ' 12' ' ' VAL . 0.6 OUTLIER -68.09 -19.94 64.89 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.06 -179.161 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' J' J ' 17' ' ' LEU . . . . . 0.51 ' HA ' HD13 ' J' ' 17' ' ' LEU . 0.5 OUTLIER -89.62 -48.24 7.42 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 178.481 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 61.6 t -69.26 -43.32 81.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.288 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 m -105.28 32.73 4.06 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.021 -179.382 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.33 -35.07 90.39 Favored Glycine 0 CA--C 1.519 0.299 0 CA-C-N 115.852 -0.613 . . . . 0.0 114.62 -178.417 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 21' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -92.63 4.78 52.99 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 117.515 0.657 . . . . 0.0 111.885 -178.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 22' ' ' ARG . . . . . 0.545 ' HB3' ' HB2' ' I' ' 21' ' ' ASN . 94.4 mtt180 -124.14 -78.7 0.6 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.734 0.778 . . . . 0.0 110.4 179.11 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' J' J ' 23' ' ' GLY . . . . . 0.43 ' HA3' ' HA ' ' L' ' 27' ' ' THR . . . 147.79 176.28 21.23 Favored Glycine 0 N--CA 1.44 -1.068 0 CA-C-N 114.413 -1.267 . . . . 0.0 110.181 -179.15 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' J' J ' 24' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -141.3 142.79 33.83 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.294 0.569 . . . . 0.0 110.97 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 25' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -97.09 106.05 18.31 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 179.435 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 26' ' ' TYR . . . . . 0.442 ' CE2' ' HG3' ' J' ' 28' ' ' PRO . 38.9 t80 -97.82 96.21 8.06 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 120.493 -0.483 . . . . 0.0 111.108 -178.334 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' J' J ' 27' ' ' THR . . . . . 0.411 ' HA ' ' HA3' ' L' ' 23' ' ' GLY . 46.0 m -115.19 97.7 48.76 Favored Pre-proline 0 C--N 1.321 -0.662 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.411 179.535 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' J' J ' 28' ' ' PRO . . . . . 0.442 ' HG3' ' CE2' ' J' ' 26' ' ' TYR . 16.7 Cg_exo -67.17 -19.94 50.25 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 123.281 2.654 . . . . 0.0 111.735 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' J' J ' 29' ' ' LYS . . . . . 0.433 ' HZ2' ' HB3' ' J' ' 29' ' ' LYS . 0.0 OUTLIER -69.5 112.72 6.21 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 179.394 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' J' J ' 30' ' ' THR . . . . . . . . . . . . . 1.4 p . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.932 -0.556 . . . . 0.0 110.548 179.979 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' K' K ' 1' ' ' GLY . . . . . 0.699 ' O ' ' HB3' ' K' ' 5' ' ' GLN . . . . . . . . 0 N--CA 1.485 1.912 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' K' K ' 2' ' ' ILE . . . . . 0.406 HD11 ' CD1' ' L' ' 15' ' ' LEU . 12.5 tt -93.14 -11.21 9.24 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 O-C-N 122.36 -0.494 . . . . 0.0 111.132 -178.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' K' K ' 3' ' ' VAL . . . . . 0.415 ' CG2' ' HA ' ' L' ' 28' ' ' PRO . 20.6 t -96.91 -85.65 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -179.373 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' K' K ' 4' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -60.9 -41.09 95.41 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -177.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' K' K ' 5' ' ' GLN . . . . . 0.699 ' HB3' ' O ' ' K' ' 1' ' ' GLY . 21.9 tt0 -61.22 -32.72 72.5 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.552 0.215 . . . . 0.0 110.681 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' K' K ' 6' ' ' CYS . . . . . . . . . . . . . 89.3 m -104.09 10.23 36.05 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.362 0.505 . . . . 0.0 112.362 -179.125 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' K' K ' 7' ' ' CYS . . . . . . . . . . . . . 17.6 t -133.13 39.96 3.24 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.541 0.686 . . . . 0.0 110.214 179.084 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' K' K ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -125.35 -45.35 1.82 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.459 178.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' K' K ' 9' ' ' SER . . . . . 0.437 ' O ' ' HB ' ' K' ' 10' ' ' ILE . 14.8 t -151.14 22.18 0.75 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.994 0.426 . . . . 0.0 109.884 179.231 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' K' K ' 10' ' ' ILE . . . . . 0.505 ' HA ' ' O1 ' ' K' ' 22' ' ' IPH . 2.8 mp 72.82 126.2 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.307 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' K' K ' 11' ' ' CYS . . . . . . . . . . . . . 2.3 m -76.83 163.75 26.48 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.594 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' K' K ' 12' ' ' SER . . . . . . . . . . . . . 46.9 p -91.75 160.61 15.25 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.565 178.282 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' K' K ' 13' ' ' LEU . . . . . 0.936 HD11 HD11 ' E' ' 13' ' ' LEU . 2.9 tt -55.25 -42.2 73.17 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.397 -178.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -64.21 -35.48 80.95 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.19 -0.459 . . . . 0.0 112.033 -179.15 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -68.79 -39.3 80.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.985 0.421 . . . . 0.0 111.103 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' K' K ' 16' ' ' LEU . . . . . 0.413 ' HB3' HD23 ' L' ' 15' ' ' LEU . 84.4 mt -74.33 -22.68 59.13 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.532 -179.398 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' K' K ' 17' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -60.06 -33.4 72.0 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -178.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' K' K ' 18' ' ' ASN . . . . . . . . . . . . . 20.7 p30 -91.37 12.6 19.98 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.919 0.39 . . . . 0.0 111.659 -179.249 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' K' K ' 19' ' ' TYR . . . . . . . . . . . . . 16.1 m-30 -107.81 18.44 21.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.326 0.584 . . . . 0.0 110.52 179.25 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' K' K ' 20' ' ' CYS . . . . . . . . . . . . . 57.4 m -93.87 175.53 6.69 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.531 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' K' K ' 21' ' ' ASN . . . . . 0.549 ' HB2' ' HB3' ' L' ' 22' ' ' ARG . 4.8 m120 . . . . . 0 C--O 1.246 0.887 0 CA-C-O 118.613 -0.708 . . . . 0.0 110.047 178.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' L' L ' 1' ' ' PHE . . . . . . . . . . . . . 37.2 t80 . . . . . 0 N--CA 1.482 1.162 0 CA-C-O 120.831 0.348 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' L' L ' 2' ' ' VAL . . . . . 0.4 ' O ' HG13 ' L' ' 2' ' ' VAL . 10.4 p -81.69 63.6 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 CA-C-O 122.341 1.067 . . . . 0.0 111.236 179.633 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' L' L ' 3' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -154.3 -51.34 0.09 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.927 -1.033 . . . . 0.0 108.415 178.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' L' L ' 4' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -49.28 -52.22 28.88 Favored 'General case' 0 N--CA 1.464 0.242 0 O-C-N 123.814 0.696 . . . . 0.0 111.828 179.382 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' L' L ' 5' ' ' HIS . . . . . 0.425 ' CE1' HD22 ' J' ' 17' ' ' LEU . 66.0 t60 -59.35 -39.48 83.37 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-O 120.783 0.325 . . . . 0.0 111.211 -179.727 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' L' L ' 6' ' ' LEU . . . . . . . . . . . . . 4.5 mt -78.94 -23.36 44.69 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.623 0.725 . . . . 0.0 110.032 -178.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' L' L ' 7' ' ' CYS . . . . . . . . . . . . . 37.5 t -75.93 -47.14 26.39 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.587 -1.188 . . . . 0.0 110.478 -179.541 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' L' L ' 8' ' ' GLY . . . . . 0.533 ' HA2' ' HG ' ' L' ' 11' ' ' LEU . . . -57.0 -31.87 61.96 Favored Glycine 0 C--N 1.331 0.277 0 CA-C-N 115.773 -0.649 . . . . 0.0 113.821 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' L' L ' 9' ' ' SER . . . . . 0.518 ' HB2' ' HE1' ' D' ' 10' ' ' HIS . 0.7 OUTLIER -66.58 -0.65 2.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.919 0.39 . . . . 0.0 111.822 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' L' L ' 10' ' ' HIS . . . . . 0.501 ' HE1' ' HB2' ' H' ' 9' ' ' SER . 91.6 m-70 -110.8 -36.22 5.76 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 178.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' L' L ' 11' ' ' LEU . . . . . 0.533 ' HG ' ' HA2' ' L' ' 8' ' ' GLY . 0.6 OUTLIER -66.25 -28.28 68.6 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.784 179.471 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' L' L ' 12' ' ' VAL . . . . . 0.657 ' O ' ' HB2' ' L' ' 16' ' ' TYR . 16.5 m -56.39 -48.79 79.35 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.703 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.871 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' L' L ' 13' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 -56.24 -51.14 69.18 Favored 'General case' 0 N--CA 1.465 0.322 0 O-C-N 123.252 0.345 . . . . 0.0 111.202 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' L' L ' 14' ' ' ALA . . . . . 0.603 ' CB ' ' H5 ' ' K' ' 22' ' ' IPH . . . -52.67 -50.63 62.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.437 -179.743 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' L' L ' 15' ' ' LEU . . . . . 0.413 HD23 ' HB3' ' K' ' 16' ' ' LEU . 76.1 mt -70.54 -33.05 70.72 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.308 0.575 . . . . 0.0 110.715 179.32 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' L' L ' 16' ' ' TYR . . . . . 0.657 ' HB2' ' O ' ' L' ' 12' ' ' VAL . 0.6 OUTLIER -67.87 -19.37 65.02 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.518 -0.764 . . . . 0.0 111.25 -179.273 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' L' L ' 17' ' ' LEU . . . . . 0.52 ' HA ' HD13 ' L' ' 17' ' ' LEU . 0.5 OUTLIER -90.15 -48.47 7.15 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 178.456 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 56.5 t -68.93 -44.58 81.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.135 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' L' L ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 m -104.5 33.56 3.49 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.342 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' L' L ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.91 -36.21 92.49 Favored Glycine 0 CA--C 1.518 0.259 0 CA-C-N 116.005 -0.543 . . . . 0.0 114.439 -178.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' L' L ' 21' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -92.09 7.78 40.81 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 117.198 0.499 . . . . 0.0 111.946 -178.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' L' L ' 22' ' ' ARG . . . . . 0.549 ' HB3' ' HB2' ' K' ' 21' ' ' ASN . 93.4 mtt180 -127.2 -79.28 0.59 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.659 0.743 . . . . 0.0 110.021 178.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' L' L ' 23' ' ' GLY . . . . . 0.411 ' HA3' ' HA ' ' J' ' 27' ' ' THR . . . 148.06 176.1 21.29 Favored Glycine 0 N--CA 1.44 -1.085 0 CA-C-N 114.374 -1.285 . . . . 0.0 110.152 -179.221 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' L' L ' 24' ' ' PHE . . . . . . . . . . . . . 19.2 p90 -141.03 143.05 34.18 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.357 0.599 . . . . 0.0 110.912 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' L' L ' 25' ' ' PHE . . . . . 0.418 ' H ' ' HD1' ' L' ' 25' ' ' PHE . 1.9 p90 -97.21 105.7 17.9 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 179.315 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' L' L ' 26' ' ' TYR . . . . . 0.429 ' CE2' ' HG3' ' L' ' 28' ' ' PRO . 39.3 t80 -97.7 96.54 8.33 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 120.586 -0.446 . . . . 0.0 111.146 -178.52 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' L' L ' 27' ' ' THR . . . . . 0.43 ' HA ' ' HA3' ' J' ' 23' ' ' GLY . 34.7 m -115.26 98.22 50.02 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.371 179.597 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' L' L ' 28' ' ' PRO . . . . . 0.429 ' HG3' ' CE2' ' L' ' 26' ' ' TYR . 16.5 Cg_exo -67.8 -20.88 45.34 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 123.046 2.498 . . . . 0.0 111.643 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' L' L ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.1 112.89 5.33 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 179.397 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' L' L ' 30' ' ' THR . . . . . . . . . . . . . 1.1 p . . . . . 0 C--O 1.245 0.838 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.064 -179.794 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 22' ' ' IPH . . . . . 0.619 ' H5 ' ' CB ' ' B' ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 22' ' ' IPH . . . . . 0.606 ' H5 ' ' CB ' ' D' ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 22' ' ' IPH . . . . . 0.597 ' H5 ' ' CB ' ' F' ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 22' ' ' IPH . . . . . 0.614 ' H5 ' ' CB ' ' H' ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 22' ' ' IPH . . . . . 0.61 ' H5 ' ' CB ' ' J' ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' K' K ' 22' ' ' IPH . . . . . 0.603 ' H5 ' ' CB ' ' L' ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.296 0 CA-C-O 119.796 -0.447 . . . . 0.0 112.968 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.857 HG23 ' H ' ' A' ' 3' ' ' VAL . 9.0 tt 32.19 -89.65 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 C-N-CA 125.063 1.345 . . . . 0.0 114.22 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.857 ' H ' HG23 ' A' ' 2' ' ' ILE . 4.6 t -56.1 -54.59 25.54 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.093 0 CA-C-O 120.849 0.357 . . . . 0.0 111.098 -178.783 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -59.02 -38.35 79.04 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.635 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -63.69 -47.28 81.8 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.377 -0.828 . . . . 0.0 111.9 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.57 ' HB3' ' H2 ' ' A' ' 22' ' ' IPH . 76.4 m -83.38 -16.03 47.58 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 -177.732 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.4 t -77.65 -6.92 55.5 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 120.909 0.385 . . . . 0.0 110.725 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.2 p -68.6 -63.63 1.02 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.706 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.497 ' O ' ' HB ' ' A' ' 10' ' ' ILE . 11.9 t -158.69 35.49 0.22 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.328 -179.606 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.497 ' HB ' ' O ' ' A' ' 9' ' ' SER . 2.4 mp 74.01 139.81 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.946 179.534 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 80.4 m -103.66 175.49 5.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.542 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.498 ' HB3' ' HG3' ' A' ' 15' ' ' GLN . 40.5 t -78.98 147.87 32.77 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 177.235 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.9 tt -60.24 -34.98 74.45 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.996 0.427 . . . . 0.0 110.653 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -64.79 -27.1 68.66 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.335 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.498 ' HG3' ' HB3' ' A' ' 12' ' ' SER . 77.1 mt-30 -77.53 -34.56 53.91 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.921 0.391 . . . . 0.0 110.628 179.763 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.508 ' HB3' HD23 ' B' ' 15' ' ' LEU . 79.9 mt -66.67 -31.95 72.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.234 179.7 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -58.73 -32.05 68.86 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.853 179.333 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -73.52 -14.48 61.22 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.434 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -101.93 4.55 40.17 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.925 0.393 . . . . 0.0 110.751 -178.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 18.5 t -91.15 160.94 15.3 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.112 -179.221 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.446 ' C ' HH21 ' B' ' 22' ' ' ARG . 21.8 t-20 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.534 -0.746 . . . . 0.0 109.847 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 51.5 t80 . . . . . 0 N--CA 1.484 1.253 0 N-CA-C 111.165 0.061 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.427 HG13 ' SG ' ' J' ' 7' ' ' CYS . 20.2 m 49.17 -157.53 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 124.255 1.022 . . . . 0.0 112.565 -179.032 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -137.28 175.37 9.67 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.601 0.239 . . . . 0.0 110.778 -178.139 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' GLN . . . . . 0.77 ' HA ' ' HB3' ' B' ' 7' ' ' CYS . 6.1 tt0 -50.41 -30.26 12.06 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 124.084 0.954 . . . . 0.0 110.414 178.599 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 77.6 t60 -48.05 -44.83 31.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.046 179.17 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.48 HD21 ' H4 ' ' I' ' 22' ' ' IPH . 79.3 mt -94.94 -30.05 14.34 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 121.325 0.583 . . . . 0.0 110.504 179.583 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 7' ' ' CYS . . . . . 0.77 ' HB3' ' HA ' ' B' ' 4' ' ' GLN . 33.0 t -60.25 -38.83 84.7 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.097 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 8' ' ' GLY . . . . . 0.488 ' HA3' ' OH ' ' B' ' 26' ' ' TYR . . . -69.88 -19.46 75.25 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 121.097 -0.573 . . . . 0.0 113.775 -179.649 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 9' ' ' SER . . . . . 1.034 ' HB2' ' HG2' ' D' ' 13' ' ' GLU . 10.1 p -65.85 -18.88 65.64 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 117.446 0.623 . . . . 0.0 110.534 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -104.59 -19.83 13.86 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.337 -179.227 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.494 ' CD2' ' H3 ' ' A' ' 22' ' ' IPH . 44.8 mt -72.59 -34.23 67.27 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 177.086 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.797 HG21 HG21 ' D' ' 12' ' ' VAL . 30.0 m -68.25 -29.9 45.95 Favored 'Isoleucine or valine' 0 C--O 1.232 0.142 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.487 178.749 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 1.091 ' HG2' ' HB2' ' D' ' 9' ' ' SER . 48.5 mt-10 -60.8 -32.76 72.11 Favored 'General case' 0 CA--C 1.522 -0.126 0 CA-C-O 121.428 0.632 . . . . 0.0 109.581 179.693 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.465 ' O ' HG23 ' B' ' 18' ' ' VAL . . . -84.42 -36.23 22.53 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.911 178.124 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.508 HD23 ' HB3' ' A' ' 16' ' ' LEU . 15.9 mt -57.41 -54.89 41.68 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.738 179.701 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 16' ' ' TYR . . . . . 0.805 ' CE2' ' HA ' ' B' ' 13' ' ' GLU . 1.7 p90 -65.33 -24.25 67.21 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 120.356 -0.537 . . . . 0.0 110.805 -179.147 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 2.6 tt -69.76 -39.22 76.83 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 109.711 -0.478 . . . . 0.0 109.711 -179.464 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.465 HG23 ' O ' ' B' ' 14' ' ' ALA . 58.9 t -69.17 -36.4 72.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 178.087 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 19' ' ' CYS . . . . . 0.808 ' HB3' ' HB2' ' B' ' 22' ' ' ARG . 84.1 m -69.77 -37.58 76.44 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.319 179.378 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.77 -87.18 1.24 Allowed Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.681 -0.771 . . . . 0.0 111.24 -179.164 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.519 ' HG2' ' HD2' ' D' ' 29' ' ' LYS . 17.6 tt0 -120.61 33.68 5.49 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.859 0.838 . . . . 0.0 109.401 178.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 22' ' ' ARG . . . . . 0.808 ' HB2' ' HB3' ' B' ' 19' ' ' CYS . 78.2 mtp180 -121.03 170.84 9.13 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.921 179.559 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -111.18 -175.97 20.3 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.752 -0.737 . . . . 0.0 111.822 179.168 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' PHE . . . . . 0.554 ' HE2' ' HB3' ' B' ' 16' ' ' TYR . 13.3 p90 -158.67 163.23 37.07 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.001 0.429 . . . . 0.0 110.739 179.778 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 13.7 m-30 -100.05 111.31 23.61 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 178.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.515 ' HB2' ' HE1' ' B' ' 24' ' ' PHE . 64.9 t80 -100.74 112.2 24.56 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.883 0.373 . . . . 0.0 111.454 -178.593 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 4.0 p -125.37 95.88 40.17 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.947 178.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -78.03 46.22 2.02 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 123.012 2.475 . . . . 0.0 112.51 -179.548 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.603 ' HD2' ' HG2' ' D' ' 21' ' ' GLU . 45.6 tttm -163.65 147.72 10.43 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.461 -0.791 . . . . 0.0 109.602 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 18.1 m . . . . . 0 C--O 1.253 1.275 0 CA-C-O 118.01 -0.995 . . . . 0.0 108.907 178.751 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.94 0 CA-C-O 119.97 -0.35 . . . . 0.0 112.442 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 2' ' ' ILE . . . . . 0.833 HG23 ' H ' ' C' ' 3' ' ' VAL . 8.8 tt 31.02 -88.9 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 125.239 1.416 . . . . 0.0 114.351 -179.732 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 3' ' ' VAL . . . . . 0.833 ' H ' HG23 ' C' ' 2' ' ' ILE . 4.1 t -56.61 -54.58 27.06 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.13 0 CA-C-O 121.049 0.452 . . . . 0.0 111.085 -178.789 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -59.56 -35.25 73.88 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.858 179.228 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 5' ' ' GLN . . . . . 0.403 ' HG2' ' SG ' ' C' ' 11' ' ' CYS . 23.7 tt0 -67.43 -47.04 71.37 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.644 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 6' ' ' CYS . . . . . 0.577 ' HB3' ' H2 ' ' C' ' 22' ' ' IPH . 73.1 m -83.53 -15.91 47.54 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 -177.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 7' ' ' CYS . . . . . 0.4 ' HB2' HD11 ' D' ' 11' ' ' LEU . 42.3 t -77.51 -6.49 53.78 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.014 0.435 . . . . 0.0 110.476 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 40.8 p -68.36 -65.47 0.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.263 179.556 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 9' ' ' SER . . . . . 0.488 ' O ' ' HB ' ' C' ' 10' ' ' ILE . 9.6 t -157.86 36.31 0.26 Allowed 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.234 -179.636 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 10' ' ' ILE . . . . . 0.488 ' HB ' ' O ' ' C' ' 9' ' ' SER . 2.3 mp 74.45 140.28 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.647 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.987 179.363 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 11' ' ' CYS . . . . . 0.403 ' SG ' ' HG2' ' C' ' 5' ' ' GLN . 75.7 m -103.62 176.59 5.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.376 179.667 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 12' ' ' SER . . . . . 0.496 ' HB3' ' HG3' ' C' ' 15' ' ' GLN . 35.6 t -80.6 147.91 30.53 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 177.069 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 10.1 tt -59.95 -34.05 72.74 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.929 0.395 . . . . 0.0 110.607 -179.623 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -65.6 -26.78 67.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.314 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 15' ' ' GLN . . . . . 0.496 ' HG3' ' HB3' ' C' ' 12' ' ' SER . 78.0 mt-30 -77.73 -34.97 52.36 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.957 0.408 . . . . 0.0 110.675 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 16' ' ' LEU . . . . . 0.515 ' HB3' HD23 ' D' ' 15' ' ' LEU . 78.0 mt -66.25 -31.76 72.77 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.258 179.762 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 -58.64 -32.71 69.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.933 179.302 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -73.05 -13.38 61.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.541 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 9.3 m-30 -102.94 3.61 36.57 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.054 0.454 . . . . 0.0 110.608 -178.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 18.3 t -90.65 158.06 17.13 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.076 -179.353 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 21' ' ' ASN . . . . . 0.452 ' C ' HH21 ' D' ' 22' ' ' ARG . 22.4 t-20 . . . . . 0 C--O 1.247 0.968 0 CA-C-O 118.617 -0.706 . . . . 0.0 109.942 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 51.2 t80 . . . . . 0 N--CA 1.484 1.24 0 CA-C-O 120.263 0.078 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 2' ' ' VAL . . . . . 0.417 HG13 ' SG ' ' H' ' 7' ' ' CYS . 21.9 m 48.38 -157.78 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 124.447 1.099 . . . . 0.0 112.6 -178.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 3' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -136.98 174.67 10.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 122.293 -0.254 . . . . 0.0 110.674 -178.016 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 4' ' ' GLN . . . . . 0.772 ' HA ' ' HB3' ' D' ' 7' ' ' CYS . 6.1 tt0 -50.58 -29.09 9.97 Favored 'General case' 0 C--N 1.333 -0.129 0 C-N-CA 124.09 0.956 . . . . 0.0 110.505 178.691 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 5' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -49.21 -43.95 42.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.241 -0.89 . . . . 0.0 111.128 178.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 6' ' ' LEU . . . . . 0.476 HD21 ' H4 ' ' G' ' 22' ' ' IPH . 78.1 mt -95.92 -29.72 14.02 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.44 0.638 . . . . 0.0 110.542 179.412 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 7' ' ' CYS . . . . . 0.772 ' HB3' ' HA ' ' D' ' 4' ' ' GLN . 30.6 t -60.29 -38.98 85.29 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.094 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 8' ' ' GLY . . . . . 0.487 ' HA3' ' OH ' ' D' ' 26' ' ' TYR . . . -69.56 -20.1 75.28 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 121.213 -0.518 . . . . 0.0 113.807 -179.61 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 9' ' ' SER . . . . . 1.091 ' HB2' ' HG2' ' B' ' 13' ' ' GLU . 10.4 p -65.44 -18.85 65.63 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 117.332 0.566 . . . . 0.0 110.648 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 10' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -104.51 -19.93 13.86 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.268 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 11' ' ' LEU . . . . . 0.506 ' CD2' ' H3 ' ' C' ' 22' ' ' IPH . 44.1 mt -72.46 -34.11 67.5 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 177.161 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 12' ' ' VAL . . . . . 0.797 HG21 HG21 ' B' ' 12' ' ' VAL . 26.7 m -68.25 -29.97 46.18 Favored 'Isoleucine or valine' 0 C--O 1.231 0.08 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.449 178.752 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 13' ' ' GLU . . . . . 1.034 ' HG2' ' HB2' ' B' ' 9' ' ' SER . 48.4 mt-10 -60.72 -32.79 72.03 Favored 'General case' 0 CA--C 1.522 -0.119 0 CA-C-O 121.369 0.604 . . . . 0.0 109.536 179.624 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 14' ' ' ALA . . . . . 0.446 ' O ' HG23 ' D' ' 18' ' ' VAL . . . -84.51 -35.75 22.68 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.886 178.153 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 15' ' ' LEU . . . . . 0.515 HD23 ' HB3' ' C' ' 16' ' ' LEU . 15.7 mt -58.06 -54.58 45.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.728 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 16' ' ' TYR . . . . . 0.784 ' CE2' ' HA ' ' D' ' 13' ' ' GLU . 1.8 p90 -65.4 -24.48 67.22 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.806 -179.113 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 tt -69.05 -41.33 77.77 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 -179.41 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 18' ' ' VAL . . . . . 0.446 HG23 ' O ' ' D' ' 14' ' ' ALA . 57.5 t -66.94 -37.31 79.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.589 0.709 . . . . 0.0 109.266 178.218 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 19' ' ' CYS . . . . . 0.791 ' HB3' ' HB2' ' D' ' 22' ' ' ARG . 85.9 m -69.01 -38.04 79.01 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.168 -0.924 . . . . 0.0 111.348 179.596 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.11 -88.69 1.28 Allowed Glycine 0 N--CA 1.449 -0.461 0 N-CA-C 111.108 -0.797 . . . . 0.0 111.108 -178.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 21' ' ' GLU . . . . . 0.603 ' HG2' ' HD2' ' B' ' 29' ' ' LYS . 18.5 tt0 -119.11 35.05 4.96 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.813 0.816 . . . . 0.0 109.379 178.82 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 22' ' ' ARG . . . . . 0.791 ' HB2' ' HB3' ' D' ' 19' ' ' CYS . 79.2 mtp180 -122.35 169.11 11.27 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.8 179.628 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 23' ' ' GLY . . . . . . . . . . . . . . . -109.88 -176.67 21.07 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 121.025 -0.607 . . . . 0.0 111.81 179.14 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 24' ' ' PHE . . . . . 0.558 ' HE2' ' HB3' ' D' ' 16' ' ' TYR . 12.6 p90 -158.51 162.87 37.49 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.06 0.457 . . . . 0.0 110.904 179.667 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 25' ' ' PHE . . . . . . . . . . . . . 13.4 m-30 -99.29 110.17 22.72 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 179.126 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 26' ' ' TYR . . . . . 0.517 ' HB2' ' HE1' ' D' ' 24' ' ' PHE . 66.3 t80 -99.76 112.99 25.19 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.875 0.369 . . . . 0.0 111.537 -178.784 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 27' ' ' THR . . . . . . . . . . . . . 3.4 p -126.18 95.23 39.46 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.015 179.244 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 28' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -77.9 48.0 2.51 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 123.118 2.545 . . . . 0.0 112.167 -179.504 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 29' ' ' LYS . . . . . 0.519 ' HD2' ' HG2' ' B' ' 21' ' ' GLU . 44.5 tttm -165.82 146.86 6.9 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.545 179.748 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 9.9 m . . . . . 0 C--O 1.253 1.266 0 CA-C-O 117.734 -1.126 . . . . 0.0 108.553 178.619 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.07 0 CA-C-O 119.716 -0.491 . . . . 0.0 112.348 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' E' E ' 2' ' ' ILE . . . . . 0.837 HG23 ' H ' ' E' ' 3' ' ' VAL . 8.6 tt 33.75 -89.88 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.746 0 C-N-CA 124.841 1.256 . . . . 0.0 114.157 -179.611 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 3' ' ' VAL . . . . . 0.837 ' H ' HG23 ' E' ' 2' ' ' ILE . 4.1 t -56.03 -54.74 23.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.804 0.335 . . . . 0.0 111.116 -178.767 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 4' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -58.7 -37.99 77.3 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.708 179.087 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -64.25 -48.58 75.24 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.818 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 6' ' ' CYS . . . . . 0.585 ' HB3' ' H2 ' ' E' ' 22' ' ' IPH . 73.2 m -82.08 -16.52 49.79 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 -177.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 7' ' ' CYS . . . . . . . . . . . . . 42.6 t -77.17 -7.08 55.24 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.687 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 47.1 p -67.96 -64.16 0.92 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.503 179.51 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 9' ' ' SER . . . . . 0.504 ' O ' ' HB ' ' E' ' 10' ' ' ILE . 10.8 t -158.81 35.85 0.22 Allowed 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.337 -179.683 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 10' ' ' ILE . . . . . 0.504 ' HB ' ' O ' ' E' ' 9' ' ' SER . 2.4 mp 74.61 139.89 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 CA-C-O 121.341 0.591 . . . . 0.0 111.956 179.445 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 11' ' ' CYS . . . . . . . . . . . . . 77.2 m -103.05 176.9 4.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.499 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 12' ' ' SER . . . . . 0.452 ' HB3' ' HG3' ' E' ' 15' ' ' GLN . 36.6 t -82.03 146.12 29.86 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 177.188 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 10.1 tt -57.84 -34.51 69.78 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.936 0.398 . . . . 0.0 110.774 -179.485 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -65.56 -25.89 67.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.454 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 15' ' ' GLN . . . . . 0.452 ' HG3' ' HB3' ' E' ' 12' ' ' SER . 78.6 mt-30 -78.74 -35.16 45.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.838 0.352 . . . . 0.0 110.456 179.761 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 16' ' ' LEU . . . . . 0.504 ' HB3' HD23 ' F' ' 15' ' ' LEU . 80.0 mt -65.86 -31.93 73.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.38 179.685 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 17' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -58.9 -32.3 69.41 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.86 179.458 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 18' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -73.42 -14.18 61.21 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.404 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 19' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -102.37 5.59 39.85 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.169 0.509 . . . . 0.0 110.673 -178.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 20' ' ' CYS . . . . . . . . . . . . . 17.9 t -91.94 160.53 15.22 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.895 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 21' ' ' ASN . . . . . 0.416 ' C ' HH21 ' F' ' 22' ' ' ARG . 22.7 t-20 . . . . . 0 C--O 1.244 0.776 0 CA-C-O 118.518 -0.753 . . . . 0.0 110.282 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 1' ' ' PHE . . . . . . . . . . . . . 50.0 t80 . . . . . 0 N--CA 1.483 1.208 0 CA-C-O 120.392 0.139 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' F' F ' 2' ' ' VAL . . . . . 0.418 HG13 ' SG ' ' B' ' 7' ' ' CYS . 22.7 m 49.24 -156.04 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 124.431 1.093 . . . . 0.0 112.637 -179.039 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 3' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -138.76 174.76 10.19 Favored 'General case' 0 C--N 1.322 -0.592 0 O-C-N 122.292 -0.255 . . . . 0.0 110.577 -177.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 4' ' ' GLN . . . . . 0.761 ' HA ' ' HB3' ' F' ' 7' ' ' CYS . 5.9 tt0 -50.52 -29.64 11.04 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 123.966 0.906 . . . . 0.0 110.449 178.614 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 5' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -48.79 -43.98 38.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.119 179.123 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 6' ' ' LEU . . . . . 0.503 HD21 ' H4 ' ' A' ' 22' ' ' IPH . 79.1 mt -95.9 -29.55 14.13 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.268 0.556 . . . . 0.0 110.525 179.588 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 7' ' ' CYS . . . . . 0.761 ' HB3' ' HA ' ' F' ' 4' ' ' GLN . 31.3 t -60.51 -38.81 85.56 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.092 179.751 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 8' ' ' GLY . . . . . 0.495 ' HA3' ' OH ' ' F' ' 26' ' ' TYR . . . -69.68 -19.94 75.32 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 121.229 -0.51 . . . . 0.0 113.805 -179.673 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 9' ' ' SER . . . . . 1.051 ' HB2' ' HG2' ' H' ' 13' ' ' GLU . 10.6 p -65.6 -19.1 65.78 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 117.486 0.643 . . . . 0.0 110.599 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 10' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -104.29 -20.05 13.89 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.376 -179.342 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 11' ' ' LEU . . . . . 0.493 ' CD2' ' H3 ' ' E' ' 22' ' ' IPH . 43.5 mt -72.56 -34.1 67.27 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 177.258 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 12' ' ' VAL . . . . . 0.796 HG21 HG21 ' H' ' 12' ' ' VAL . 26.7 m -68.28 -30.02 46.31 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.506 178.817 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 13' ' ' GLU . . . . . 1.042 ' HG2' ' HB2' ' H' ' 9' ' ' SER . 48.2 mt-10 -60.57 -32.81 71.88 Favored 'General case' 0 CA--C 1.521 -0.145 0 CA-C-O 121.466 0.65 . . . . 0.0 109.614 179.524 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 14' ' ' ALA . . . . . 0.45 ' O ' HG23 ' F' ' 18' ' ' VAL . . . -84.41 -35.8 22.86 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.946 178.144 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 15' ' ' LEU . . . . . 0.504 HD23 ' HB3' ' E' ' 16' ' ' LEU . 15.8 mt -58.04 -54.68 44.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.734 179.761 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 16' ' ' TYR . . . . . 0.794 ' CE2' ' HA ' ' F' ' 13' ' ' GLU . 1.8 p90 -65.43 -23.81 67.03 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.34 -0.544 . . . . 0.0 110.82 -179.124 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 2.4 tt -69.82 -41.12 75.4 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 -179.426 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 18' ' ' VAL . . . . . 0.45 HG23 ' O ' ' F' ' 14' ' ' ALA . 57.9 t -67.18 -36.71 77.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.562 0.696 . . . . 0.0 109.235 178.405 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 19' ' ' CYS . . . . . 0.787 ' HB3' ' HB2' ' F' ' 22' ' ' ARG . 84.7 m -69.89 -36.82 75.74 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.159 -0.928 . . . . 0.0 111.52 179.601 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.08 -88.8 1.18 Allowed Glycine 0 N--CA 1.448 -0.565 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -178.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 21' ' ' GLU . . . . . 0.575 ' HG2' ' HD2' ' H' ' 29' ' ' LYS . 18.4 tt0 -119.16 35.01 4.98 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.759 0.79 . . . . 0.0 109.283 179.152 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 22' ' ' ARG . . . . . 0.787 ' HB2' ' HB3' ' F' ' 19' ' ' CYS . 79.6 mtp180 -122.36 169.1 11.29 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.796 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 23' ' ' GLY . . . . . . . . . . . . . . . -109.7 -176.58 21.16 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.862 -0.685 . . . . 0.0 111.836 179.193 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 24' ' ' PHE . . . . . 0.558 ' HE2' ' HB3' ' F' ' 16' ' ' TYR . 12.5 p90 -158.83 162.44 37.0 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.047 0.451 . . . . 0.0 110.951 179.633 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 25' ' ' PHE . . . . . . . . . . . . . 13.3 m-30 -99.27 110.26 22.81 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 179.157 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 26' ' ' TYR . . . . . 0.503 ' HB2' ' HE1' ' F' ' 24' ' ' PHE . 65.3 t80 -100.08 112.58 24.88 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.846 0.355 . . . . 0.0 111.488 -178.667 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 27' ' ' THR . . . . . . . . . . . . . 6.3 p -125.46 95.79 40.12 Favored Pre-proline 0 C--N 1.321 -0.644 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.027 179.016 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 28' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -78.07 46.57 2.11 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.893 2.395 . . . . 0.0 112.433 -179.557 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 29' ' ' LYS . . . . . 0.573 ' HD2' ' HG2' ' H' ' 21' ' ' GLU . 44.9 tttm -164.45 147.14 8.88 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.501 179.788 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 30' ' ' THR . . . . . . . . . . . . . 13.7 m . . . . . 0 C--O 1.252 1.22 0 CA-C-O 118.031 -0.985 . . . . 0.0 108.838 178.914 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' G' G ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.08 0 CA-C-O 119.788 -0.451 . . . . 0.0 112.552 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' G' G ' 2' ' ' ILE . . . . . 0.839 HG23 ' H ' ' G' ' 3' ' ' VAL . 8.5 tt 31.06 -88.87 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.716 0 C-N-CA 125.072 1.349 . . . . 0.0 114.186 -179.688 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 3' ' ' VAL . . . . . 0.839 ' H ' HG23 ' G' ' 2' ' ' ILE . 4.0 t -56.7 -54.53 27.93 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.094 0 CA-C-O 120.884 0.373 . . . . 0.0 111.17 -178.746 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 4' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -58.91 -38.22 78.42 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.622 179.286 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 5' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -64.12 -47.86 78.34 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.829 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 6' ' ' CYS . . . . . 0.555 ' HB3' ' H2 ' ' G' ' 22' ' ' IPH . 72.5 m -83.05 -15.29 51.6 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 -177.767 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 7' ' ' CYS . . . . . . . . . . . . . 42.2 t -78.13 -7.17 56.69 Favored 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.482 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 8' ' ' THR . . . . . . . . . . . . . 42.3 p -67.93 -65.85 0.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.222 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 9' ' ' SER . . . . . 0.502 ' O ' ' HB ' ' G' ' 10' ' ' ILE . 10.3 t -157.0 36.6 0.3 Allowed 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.466 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 10' ' ' ILE . . . . . 0.502 ' HB ' ' O ' ' G' ' 9' ' ' SER . 2.3 mp 74.14 139.71 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 CA-C-N 115.907 -0.588 . . . . 0.0 112.077 179.382 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 11' ' ' CYS . . . . . . . . . . . . . 77.5 m -103.35 176.55 5.11 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.515 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 12' ' ' SER . . . . . 0.51 ' HB3' ' HG3' ' G' ' 15' ' ' GLN . 41.5 t -80.52 147.16 30.96 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 177.174 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 13' ' ' LEU . . . . . . . . . . . . . 9.8 tt -59.27 -34.51 72.34 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.043 0.449 . . . . 0.0 110.7 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -65.59 -26.38 67.82 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.44 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 15' ' ' GLN . . . . . 0.51 ' HG3' ' HB3' ' G' ' 12' ' ' SER . 77.2 mt-30 -78.09 -34.95 49.9 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.488 -0.323 . . . . 0.0 110.495 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 16' ' ' LEU . . . . . 0.497 ' HB3' HD23 ' H' ' 15' ' ' LEU . 79.1 mt -66.06 -32.13 73.41 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.062 0.458 . . . . 0.0 110.258 179.612 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 17' ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -59.22 -29.72 67.71 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.053 179.398 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 18' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -76.09 -12.24 60.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.896 0.379 . . . . 0.0 111.397 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 19' ' ' TYR . . . . . . . . . . . . . 9.6 m-30 -103.78 2.65 33.14 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.21 0.528 . . . . 0.0 110.589 -178.632 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 20' ' ' CYS . . . . . . . . . . . . . 17.0 t -89.1 159.75 17.38 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.078 -179.288 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 21' ' ' ASN . . . . . 0.422 ' C ' HH21 ' H' ' 22' ' ' ARG . 22.7 t-20 . . . . . 0 C--O 1.246 0.874 0 CA-C-O 118.4 -0.81 . . . . 0.0 110.072 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 1' ' ' PHE . . . . . . . . . . . . . 51.3 t80 . . . . . 0 N--CA 1.483 1.181 0 CA-C-O 120.135 0.016 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' H' H ' 2' ' ' VAL . . . . . 0.417 HG13 ' SG ' ' L' ' 7' ' ' CYS . 21.3 m 48.98 -157.1 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 C-N-CA 124.389 1.076 . . . . 0.0 112.578 -178.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 3' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -137.07 175.57 9.49 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.887 -177.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 4' ' ' GLN . . . . . 0.76 ' HA ' ' HB3' ' H' ' 7' ' ' CYS . 5.9 tt0 -51.81 -28.55 16.04 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 123.953 0.901 . . . . 0.0 110.378 178.6 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 5' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -49.25 -44.35 43.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.944 179.001 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 6' ' ' LEU . . . . . 0.489 HD21 ' H4 ' ' K' ' 22' ' ' IPH . 79.8 mt -95.47 -30.28 13.95 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.312 0.577 . . . . 0.0 110.48 179.601 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 7' ' ' CYS . . . . . 0.76 ' HB3' ' HA ' ' H' ' 4' ' ' GLN . 28.0 t -59.98 -38.87 83.83 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.076 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 8' ' ' GLY . . . . . 0.476 ' HA3' ' OH ' ' H' ' 26' ' ' TYR . . . -69.46 -19.99 75.01 Favored Glycine 0 N--CA 1.446 -0.648 0 CA-C-N 116.151 -0.477 . . . . 0.0 113.753 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 9' ' ' SER . . . . . 1.042 ' HB2' ' HG2' ' F' ' 13' ' ' GLU . 10.0 p -65.77 -18.79 65.58 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 117.424 0.612 . . . . 0.0 110.666 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 10' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -104.69 -19.67 13.88 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.309 -179.277 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 11' ' ' LEU . . . . . 0.509 ' CD2' ' H3 ' ' G' ' 22' ' ' IPH . 45.4 mt -72.66 -34.17 67.06 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 177.074 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 12' ' ' VAL . . . . . 0.796 HG21 HG21 ' F' ' 12' ' ' VAL . 26.8 m -68.24 -29.91 46.02 Favored 'Isoleucine or valine' 0 C--O 1.232 0.157 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.491 178.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 13' ' ' GLU . . . . . 1.051 ' HG2' ' HB2' ' F' ' 9' ' ' SER . 47.7 mt-10 -60.72 -32.69 71.94 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-O 121.534 0.683 . . . . 0.0 109.671 179.609 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 14' ' ' ALA . . . . . 0.45 ' O ' HG23 ' H' ' 18' ' ' VAL . . . -84.68 -35.31 22.66 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.994 178.081 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 15' ' ' LEU . . . . . 0.497 HD23 ' HB3' ' G' ' 16' ' ' LEU . 15.5 mt -58.16 -54.95 41.24 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.737 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 16' ' ' TYR . . . . . 0.805 ' CE2' ' HA ' ' H' ' 13' ' ' GLU . 1.8 p90 -65.14 -24.45 67.41 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 120.396 -0.521 . . . . 0.0 110.876 -179.235 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 2.6 tt -69.43 -40.76 77.05 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 -179.497 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 18' ' ' VAL . . . . . 0.45 HG23 ' O ' ' H' ' 14' ' ' ALA . 58.2 t -67.49 -37.85 79.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 178.151 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 19' ' ' CYS . . . . . 0.821 ' HB3' ' HB2' ' H' ' 22' ' ' ARG . 86.5 m -68.15 -38.18 81.86 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.486 179.296 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.46 -86.88 1.31 Allowed Glycine 0 N--CA 1.449 -0.438 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -179.16 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 21' ' ' GLU . . . . . 0.573 ' HG2' ' HD2' ' F' ' 29' ' ' LYS . 18.4 tt0 -121.2 34.34 5.24 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.78 0.8 . . . . 0.0 109.314 178.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 22' ' ' ARG . . . . . 0.821 ' HB2' ' HB3' ' H' ' 19' ' ' CYS . 79.6 mtp180 -121.84 169.12 11.08 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.047 -0.979 . . . . 0.0 109.711 179.75 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 23' ' ' GLY . . . . . . . . . . . . . . . -109.67 -176.61 21.18 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.822 -0.704 . . . . 0.0 111.597 179.165 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 24' ' ' PHE . . . . . 0.551 ' HE2' ' HB3' ' H' ' 16' ' ' TYR . 12.4 p90 -158.22 163.29 37.62 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.074 0.464 . . . . 0.0 110.906 179.68 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 25' ' ' PHE . . . . . . . . . . . . . 13.6 m-30 -99.75 111.05 23.41 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.044 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 26' ' ' TYR . . . . . 0.509 ' HB2' ' HE1' ' H' ' 24' ' ' PHE . 66.5 t80 -100.93 112.52 24.98 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.849 0.357 . . . . 0.0 111.51 -178.574 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 27' ' ' THR . . . . . . . . . . . . . 3.4 p -125.57 95.39 40.65 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.18 179.048 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 28' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -77.71 46.55 2.06 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.906 2.404 . . . . 0.0 112.526 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 29' ' ' LYS . . . . . 0.575 ' HD2' ' HG2' ' F' ' 21' ' ' GLU . 45.5 tttm -163.77 148.59 10.62 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.568 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 30' ' ' THR . . . . . 0.402 ' N ' ' HG2' ' H' ' 29' ' ' LYS . 13.7 m . . . . . 0 C--O 1.254 1.309 0 CA-C-O 118.081 -0.962 . . . . 0.0 109.124 178.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.477 0 CA-C-O 120.002 -0.332 . . . . 0.0 112.786 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' I' I ' 2' ' ' ILE . . . . . 0.884 HG23 ' H ' ' I' ' 3' ' ' VAL . 9.0 tt 31.29 -89.34 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 125.21 1.404 . . . . 0.0 114.266 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' I' I ' 3' ' ' VAL . . . . . 0.884 ' H ' HG23 ' I' ' 2' ' ' ILE . 4.0 t -55.84 -54.67 23.92 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 CA-C-O 120.817 0.341 . . . . 0.0 111.288 -178.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' I' I ' 4' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -58.77 -39.1 80.04 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.588 179.263 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 5' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -63.22 -48.06 79.88 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.914 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 6' ' ' CYS . . . . . 0.555 ' HB3' ' H2 ' ' I' ' 22' ' ' IPH . 73.5 m -82.67 -16.21 49.08 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 -177.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' I' I ' 7' ' ' CYS . . . . . 0.401 ' HB2' HD11 ' J' ' 11' ' ' LEU . 42.1 t -77.45 -6.51 53.72 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.527 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' I' I ' 8' ' ' THR . . . . . . . . . . . . . 41.1 p -68.66 -64.67 0.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.47 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 9' ' ' SER . . . . . 0.5 ' O ' ' HB ' ' I' ' 10' ' ' ILE . 13.6 t -157.86 36.17 0.26 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.187 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' I' I ' 10' ' ' ILE . . . . . 0.5 ' HB ' ' O ' ' I' ' 9' ' ' SER . 2.3 mp 74.43 141.36 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.761 179.485 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' I' I ' 11' ' ' CYS . . . . . . . . . . . . . 76.5 m -104.75 176.39 5.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.305 179.484 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 12' ' ' SER . . . . . 0.548 ' HB3' ' HG3' ' I' ' 15' ' ' GLN . 40.8 t -79.9 148.64 31.2 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 177.23 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' I' I ' 13' ' ' LEU . . . . . . . . . . . . . 10.0 tt -60.98 -34.68 75.16 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.033 0.444 . . . . 0.0 110.528 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -65.03 -26.36 68.23 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.309 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 15' ' ' GLN . . . . . 0.548 ' HG3' ' HB3' ' I' ' 12' ' ' SER . 77.4 mt-30 -77.93 -35.46 50.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.001 0.429 . . . . 0.0 110.578 179.686 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' I' I ' 16' ' ' LEU . . . . . 0.533 ' HB3' HD23 ' J' ' 15' ' ' LEU . 77.8 mt -65.83 -32.05 73.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.306 179.66 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' I' I ' 17' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -58.85 -31.34 68.43 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.986 179.547 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 18' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -74.19 -14.76 60.99 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.361 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 19' ' ' TYR . . . . . . . . . . . . . 8.9 m-30 -101.49 4.54 41.28 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.893 0.377 . . . . 0.0 110.831 -178.68 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 20' ' ' CYS . . . . . . . . . . . . . 17.9 t -91.53 159.15 16.07 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.021 -179.194 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 21' ' ' ASN . . . . . 0.426 ' C ' HH21 ' J' ' 22' ' ' ARG . 21.5 t-20 . . . . . 0 C--O 1.248 0.975 0 CA-C-O 118.446 -0.788 . . . . 0.0 109.963 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 1' ' ' PHE . . . . . . . . . . . . . 53.8 t80 . . . . . 0 N--CA 1.482 1.162 0 CA-C-O 120.243 0.068 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' J' J ' 2' ' ' VAL . . . . . 0.421 HG13 ' SG ' ' F' ' 7' ' ' CYS . 22.7 m 48.96 -156.01 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 124.295 1.038 . . . . 0.0 112.538 -178.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' J' J ' 3' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -138.0 175.58 9.46 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 122.368 -0.208 . . . . 0.0 110.761 -178.067 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 4' ' ' GLN . . . . . 0.749 ' HA ' ' HB3' ' J' ' 7' ' ' CYS . 5.9 tt0 -51.53 -28.9 15.01 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 123.962 0.905 . . . . 0.0 110.497 178.254 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' J' J ' 5' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -49.21 -44.18 43.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.033 179.029 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 6' ' ' LEU . . . . . 0.477 HD21 ' H4 ' ' E' ' 22' ' ' IPH . 79.4 mt -95.5 -30.05 14.06 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.379 0.609 . . . . 0.0 110.587 179.473 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' J' J ' 7' ' ' CYS . . . . . 0.749 ' HB3' ' HA ' ' J' ' 4' ' ' GLN . 33.8 t -60.13 -38.77 84.07 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.085 179.744 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' J' J ' 8' ' ' GLY . . . . . 0.496 ' HA3' ' OH ' ' J' ' 26' ' ' TYR . . . -69.7 -19.65 75.11 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 121.201 -0.523 . . . . 0.0 113.87 -179.622 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' J' J ' 9' ' ' SER . . . . . 1.096 ' HB2' ' HG2' ' L' ' 13' ' ' GLU . 10.6 p -65.95 -18.96 65.69 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 117.417 0.608 . . . . 0.0 110.643 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' J' J ' 10' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -104.44 -19.55 14.01 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.33 -179.295 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 11' ' ' LEU . . . . . 0.505 ' CD2' ' H3 ' ' I' ' 22' ' ' IPH . 45.2 mt -73.0 -33.88 66.05 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 177.126 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' J' J ' 12' ' ' VAL . . . . . 0.801 HG21 HG21 ' L' ' 12' ' ' VAL . 26.9 m -68.66 -29.99 45.67 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.411 178.816 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' J' J ' 13' ' ' GLU . . . . . 1.069 ' HG2' ' HB2' ' L' ' 9' ' ' SER . 48.9 mt-10 -60.67 -32.36 71.57 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-O 121.498 0.666 . . . . 0.0 109.616 179.561 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' J' J ' 14' ' ' ALA . . . . . 0.446 ' O ' HG23 ' J' ' 18' ' ' VAL . . . -84.83 -35.74 22.09 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.936 178.139 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' J' J ' 15' ' ' LEU . . . . . 0.533 HD23 ' HB3' ' I' ' 16' ' ' LEU . 15.7 mt -57.87 -54.77 43.15 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.769 179.716 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' J' J ' 16' ' ' TYR . . . . . 0.807 ' CE2' ' HA ' ' J' ' 13' ' ' GLU . 1.8 p90 -65.39 -24.42 67.22 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.321 -0.551 . . . . 0.0 110.809 -179.11 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 2.7 tt -69.16 -40.71 78.01 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 -179.453 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 18' ' ' VAL . . . . . 0.446 HG23 ' O ' ' J' ' 14' ' ' ALA . 58.5 t -67.43 -38.29 80.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 178.154 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' J' J ' 19' ' ' CYS . . . . . 0.807 ' HB3' ' HB2' ' J' ' 22' ' ' ARG . 85.3 m -68.16 -35.89 78.77 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.188 -0.914 . . . . 0.0 111.666 179.352 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' J' J ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.76 -87.46 1.05 Allowed Glycine 0 N--CA 1.45 -0.397 0 N-CA-C 111.307 -0.717 . . . . 0.0 111.307 -179.114 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 21' ' ' GLU . . . . . 0.574 ' HG2' ' HD2' ' L' ' 29' ' ' LYS . 18.1 tt0 -120.9 36.85 4.47 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.784 0.802 . . . . 0.0 109.363 179.087 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' J' J ' 22' ' ' ARG . . . . . 0.807 ' HB2' ' HB3' ' J' ' 19' ' ' CYS . 79.1 mtp180 -124.09 169.93 11.2 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.691 179.634 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' J' J ' 23' ' ' GLY . . . . . . . . . . . . . . . -110.46 -176.31 20.72 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.783 -0.722 . . . . 0.0 111.654 179.285 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 24' ' ' PHE . . . . . 0.546 ' HE2' ' HB3' ' J' ' 16' ' ' TYR . 12.4 p90 -158.52 163.14 37.35 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.098 0.475 . . . . 0.0 110.803 179.741 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' J' J ' 25' ' ' PHE . . . . . . . . . . . . . 13.8 m-30 -100.06 110.07 22.37 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 179.165 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 26' ' ' TYR . . . . . 0.509 ' HB2' ' HE1' ' J' ' 24' ' ' PHE . 66.6 t80 -99.93 112.54 24.81 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.907 0.384 . . . . 0.0 111.668 -178.671 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' J' J ' 27' ' ' THR . . . . . . . . . . . . . 4.9 p -125.37 95.41 41.11 Favored Pre-proline 0 C--N 1.32 -0.678 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.073 179.202 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 28' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -77.98 46.91 2.19 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.905 2.403 . . . . 0.0 112.299 -179.455 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 29' ' ' LYS . . . . . 0.531 ' HD2' ' HG2' ' L' ' 21' ' ' GLU . 45.0 tttm -164.95 146.11 7.64 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.829 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' J' J ' 30' ' ' THR . . . . . . . . . . . . . 9.9 m . . . . . 0 C--O 1.253 1.281 0 CA-C-O 117.986 -1.007 . . . . 0.0 108.959 178.963 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.191 0 CA-C-O 119.755 -0.469 . . . . 0.0 113.055 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' K' K ' 2' ' ' ILE . . . . . 0.838 HG23 ' H ' ' K' ' 3' ' ' VAL . 8.7 tt 33.26 -89.09 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 C-N-CA 124.994 1.318 . . . . 0.0 114.113 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' K' K ' 3' ' ' VAL . . . . . 0.838 ' H ' HG23 ' K' ' 2' ' ' ILE . 4.1 t -57.25 -54.27 32.73 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 CA-C-O 120.963 0.411 . . . . 0.0 110.927 -178.761 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' K' K ' 4' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -58.66 -39.38 80.47 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.331 0.586 . . . . 0.0 110.607 179.169 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' K' K ' 5' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -63.35 -48.27 78.65 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.239 -0.891 . . . . 0.0 111.957 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' K' K ' 6' ' ' CYS . . . . . 0.559 ' HB3' ' H2 ' ' K' ' 22' ' ' IPH . 72.8 m -82.49 -16.03 50.26 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 -177.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' K' K ' 7' ' ' CYS . . . . . . . . . . . . . 42.3 t -77.21 -7.35 55.74 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.563 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' K' K ' 8' ' ' THR . . . . . . . . . . . . . 45.4 p -68.04 -65.5 0.69 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.506 179.674 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' K' K ' 9' ' ' SER . . . . . 0.505 ' O ' ' HB ' ' K' ' 10' ' ' ILE . 10.6 t -156.81 36.16 0.3 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.202 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' K' K ' 10' ' ' ILE . . . . . 0.505 ' HB ' ' O ' ' K' ' 9' ' ' SER . 2.3 mp 73.98 140.02 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.823 179.573 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' K' K ' 11' ' ' CYS . . . . . . . . . . . . . 75.1 m -103.3 177.24 4.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.384 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' K' K ' 12' ' ' SER . . . . . 0.499 ' HB3' ' HG3' ' K' ' 15' ' ' GLN . 30.3 t -80.87 148.39 29.94 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 177.071 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' K' K ' 13' ' ' LEU . . . . . . . . . . . . . 9.8 tt -60.23 -34.35 73.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.007 0.432 . . . . 0.0 110.564 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -65.82 -26.42 67.67 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.412 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' K' K ' 15' ' ' GLN . . . . . 0.499 ' HG3' ' HB3' ' K' ' 12' ' ' SER . 77.9 mt-30 -77.81 -34.67 51.95 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.599 179.702 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' K' K ' 16' ' ' LEU . . . . . 0.495 ' HB3' HD23 ' L' ' 15' ' ' LEU . 80.3 mt -66.72 -31.15 71.62 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.469 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' K' K ' 17' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -59.81 -31.19 69.48 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.948 179.486 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' K' K ' 18' ' ' ASN . . . . . . . . . . . . . 19.1 m120 -74.34 -13.95 60.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.475 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' K' K ' 19' ' ' TYR . . . . . . . . . . . . . 9.3 m-30 -102.4 4.51 38.97 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.13 0.491 . . . . 0.0 110.705 -178.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' K' K ' 20' ' ' CYS . . . . . . . . . . . . . 19.7 t -91.94 157.68 16.69 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.338 -179.099 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' K' K ' 21' ' ' ASN . . . . . 0.422 ' C ' HH21 ' L' ' 22' ' ' ARG . 23.2 t-20 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.435 -0.793 . . . . 0.0 109.615 179.589 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' L' L ' 1' ' ' PHE . . . . . . . . . . . . . 51.5 t80 . . . . . 0 N--CA 1.482 1.152 0 N-CA-C 111.38 0.141 . . . . 0.0 111.38 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' L' L ' 2' ' ' VAL . . . . . 0.412 HG13 ' SG ' ' D' ' 7' ' ' CYS . 20.4 m 48.81 -156.6 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 124.235 1.014 . . . . 0.0 112.618 -179.064 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' L' L ' 3' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -137.82 175.59 9.45 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.747 0.308 . . . . 0.0 110.674 -178.124 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' L' L ' 4' ' ' GLN . . . . . 0.738 ' HA ' ' HB3' ' L' ' 7' ' ' CYS . 6.0 tt0 -51.0 -29.72 13.17 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 123.999 0.92 . . . . 0.0 110.333 178.488 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' L' L ' 5' ' ' HIS . . . . . . . . . . . . . 77.8 t60 -48.58 -44.46 36.78 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 115.289 -0.868 . . . . 0.0 111.023 179.171 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' L' L ' 6' ' ' LEU . . . . . 0.474 HD21 ' H4 ' ' C' ' 22' ' ' IPH . 80.5 mt -95.5 -30.01 14.08 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.45 0.643 . . . . 0.0 110.619 179.589 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' L' L ' 7' ' ' CYS . . . . . 0.738 ' HB3' ' HA ' ' L' ' 4' ' ' GLN . 32.1 t -59.68 -39.59 85.03 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.171 179.566 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' L' L ' 8' ' ' GLY . . . . . 0.498 ' HA3' ' OH ' ' L' ' 26' ' ' TYR . . . -69.01 -19.6 73.9 Favored Glycine 0 N--CA 1.449 -0.473 0 CA-C-N 115.972 -0.558 . . . . 0.0 113.935 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' L' L ' 9' ' ' SER . . . . . 1.069 ' HB2' ' HG2' ' J' ' 13' ' ' GLU . 9.8 p -66.2 -18.81 65.58 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 117.348 0.574 . . . . 0.0 110.636 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' L' L ' 10' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -104.51 -19.94 13.86 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.367 -179.365 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' L' L ' 11' ' ' LEU . . . . . 0.494 ' CD2' ' H3 ' ' K' ' 22' ' ' IPH . 41.4 mt -72.64 -34.21 67.13 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 177.128 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' L' L ' 12' ' ' VAL . . . . . 0.801 HG21 HG21 ' J' ' 12' ' ' VAL . 28.1 m -68.1 -29.85 46.01 Favored 'Isoleucine or valine' 0 C--O 1.231 0.105 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.461 178.626 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' L' L ' 13' ' ' GLU . . . . . 1.096 ' HG2' ' HB2' ' J' ' 9' ' ' SER . 48.4 mt-10 -60.88 -32.62 72.06 Favored 'General case' 0 CA--C 1.522 -0.134 0 CA-C-O 121.363 0.602 . . . . 0.0 109.578 179.6 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' L' L ' 14' ' ' ALA . . . . . 0.441 ' O ' HG23 ' L' ' 18' ' ' VAL . . . -84.71 -35.66 22.37 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.474 -0.784 . . . . 0.0 109.966 178.039 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' L' L ' 15' ' ' LEU . . . . . 0.495 HD23 ' HB3' ' K' ' 16' ' ' LEU . 15.4 mt -57.76 -54.87 41.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.73 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' L' L ' 16' ' ' TYR . . . . . 0.806 ' CE2' ' HA ' ' L' ' 13' ' ' GLU . 1.7 p90 -65.54 -23.91 66.98 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.886 -178.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 2.7 tt -69.6 -40.51 76.61 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 -179.475 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' L' L ' 18' ' ' VAL . . . . . 0.441 HG23 ' O ' ' L' ' 14' ' ' ALA . 57.3 t -67.89 -37.42 78.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 178.239 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' L' L ' 19' ' ' CYS . . . . . 0.814 ' HB3' ' HB2' ' L' ' 22' ' ' ARG . 84.3 m -68.89 -36.56 78.2 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.388 179.329 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' L' L ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.88 -87.06 1.16 Allowed Glycine 0 N--CA 1.448 -0.513 0 N-CA-C 111.338 -0.705 . . . . 0.0 111.338 -179.055 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' L' L ' 21' ' ' GLU . . . . . 0.531 ' HG2' ' HD2' ' J' ' 29' ' ' LYS . 17.8 tt0 -120.94 35.89 4.75 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.706 0.765 . . . . 0.0 109.221 179.134 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' L' L ' 22' ' ' ARG . . . . . 0.814 ' HB2' ' HB3' ' L' ' 19' ' ' CYS . 79.4 mtp180 -123.56 169.68 11.19 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.036 -0.983 . . . . 0.0 109.743 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' L' L ' 23' ' ' GLY . . . . . . . . . . . . . . . -110.3 -177.02 20.89 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.767 -0.73 . . . . 0.0 111.721 179.136 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' L' L ' 24' ' ' PHE . . . . . 0.542 ' HE2' ' HB3' ' L' ' 16' ' ' TYR . 12.4 p90 -157.54 163.87 37.93 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.955 0.407 . . . . 0.0 110.783 179.654 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' L' L ' 25' ' ' PHE . . . . . . . . . . . . . 13.5 m-30 -100.4 110.55 22.75 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 179.105 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' L' L ' 26' ' ' TYR . . . . . 0.517 ' HB2' ' HE1' ' L' ' 24' ' ' PHE . 65.1 t80 -100.51 111.79 24.09 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.79 0.329 . . . . 0.0 111.664 -178.592 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' L' L ' 27' ' ' THR . . . . . . . . . . . . . 5.1 p -125.06 95.44 41.86 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.07 179.096 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' L' L ' 28' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -77.78 45.14 1.7 Allowed 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 123.002 2.468 . . . . 0.0 112.657 -179.397 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' L' L ' 29' ' ' LYS . . . . . 0.574 ' HD2' ' HG2' ' J' ' 21' ' ' GLU . 45.4 tttm -162.68 147.5 11.95 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.538 179.717 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' L' L ' 30' ' ' THR . . . . . . . . . . . . . 16.9 m . . . . . 0 C--O 1.251 1.142 0 CA-C-O 117.681 -1.152 . . . . 0.0 108.654 178.723 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 22' ' ' IPH . . . . . 0.57 ' H2 ' ' HB3' ' A' ' 6' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 22' ' ' IPH . . . . . 0.577 ' H2 ' ' HB3' ' C' ' 6' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 22' ' ' IPH . . . . . 0.585 ' H2 ' ' HB3' ' E' ' 6' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 22' ' ' IPH . . . . . 0.555 ' H2 ' ' HB3' ' G' ' 6' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 22' ' ' IPH . . . . . 0.555 ' H2 ' ' HB3' ' I' ' 6' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' K' K ' 22' ' ' IPH . . . . . 0.559 ' H2 ' ' HB3' ' K' ' 6' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.712 0 N-CA-C 111.753 -0.539 . . . . 0.0 111.753 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.718 HD11 HD11 ' B' ' 15' ' ' LEU . 5.5 tt -151.24 -39.8 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 120.89 0.376 . . . . 0.0 111.093 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.47 HG11 ' HG3' ' B' ' 4' ' ' GLN . 52.2 t -62.37 -72.48 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.324 -179.422 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 76.4 tt0 -60.06 -34.77 73.87 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.65 0.262 . . . . 0.0 110.831 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.581 ' HG2' ' SG ' ' A' ' 11' ' ' CYS . 17.2 tt0 -52.55 -42.99 64.92 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.96 179.735 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.713 ' HB3' ' H2 ' ' A' ' 22' ' ' IPH . 73.3 m -98.69 -29.04 13.25 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -179.292 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.789 ' HB2' HD11 ' B' ' 11' ' ' LEU . 49.4 t -81.76 44.93 0.85 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.607 0.718 . . . . 0.0 111.189 -179.716 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -133.47 -63.07 0.76 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.64 178.3 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.458 ' O ' ' HB ' ' A' ' 10' ' ' ILE . 7.8 t -144.24 25.56 1.54 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.252 -0.431 . . . . 0.0 109.996 179.227 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.552 HG21 ' CD2' ' F' ' 5' ' ' HIS . 2.0 mp 71.43 145.98 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.526 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.581 ' SG ' ' HG2' ' A' ' 5' ' ' GLN . 74.3 m -100.83 166.74 10.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.856 0.36 . . . . 0.0 110.475 179.702 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.9 t -72.84 158.15 36.09 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 178.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.1 tt -60.85 -56.36 22.11 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.472 -179.122 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -65.56 -16.87 64.11 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 111.42 0.155 . . . . 0.0 111.42 -179.186 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -77.14 -24.18 51.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.827 0.346 . . . . 0.0 110.11 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.479 HD22 ' HG ' ' B' ' 15' ' ' LEU . 97.8 mt -80.34 -26.76 38.54 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 179.037 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.702 ' HA ' ' SG ' ' A' ' 20' ' ' CYS . 0.5 OUTLIER -62.85 -19.32 64.01 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.958 179.096 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -63.85 -16.33 61.08 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.493 179.088 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -114.81 2.08 14.28 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -178.13 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.702 ' SG ' ' HA ' ' A' ' 17' ' ' GLU . 81.1 m -74.18 139.34 44.39 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.749 0.309 . . . . 0.0 111.131 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 44.7 m-20 . . . . . 0 C--O 1.241 0.625 0 CA-C-O 118.762 -0.637 . . . . 0.0 110.261 179.779 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 5.9 p90 . . . . . 0 N--CA 1.481 1.117 0 N-CA-C 109.697 -0.482 . . . . 0.0 109.697 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 16.9 m -117.71 176.2 2.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 C-N-CA 120.335 -0.546 . . . . 0.0 110.883 179.397 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' ASN . . . . . 0.517 ' H ' ' CD1' ' I' ' 10' ' ' ILE . 61.6 t30 -107.33 -179.15 3.84 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.913 -178.68 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 4' ' ' GLN . . . . . 0.684 ' HA ' ' HB3' ' B' ' 7' ' ' CYS . 0.2 OUTLIER -49.85 -29.8 8.72 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 123.805 0.842 . . . . 0.0 111.77 179.544 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 5' ' ' HIS . . . . . 0.601 ' NE2' ' HG ' ' D' ' 17' ' ' LEU . 42.2 t60 -57.36 -20.69 30.91 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.806 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.83 HD21 ' H4 ' ' I' ' 22' ' ' IPH . 31.1 mt -120.04 -21.83 6.92 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.397 0.618 . . . . 0.0 110.256 178.641 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 7' ' ' CYS . . . . . 0.684 ' HB3' ' HA ' ' B' ' 4' ' ' GLN . 34.6 t -73.18 -36.64 66.62 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.226 -179.735 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 8' ' ' GLY . . . . . 0.427 ' HA3' ' OH ' ' B' ' 26' ' ' TYR . . . -52.09 -49.94 47.59 Favored Glycine 0 C--O 1.228 -0.279 0 N-CA-C 114.583 0.593 . . . . 0.0 114.583 -179.21 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 9' ' ' SER . . . . . 0.587 ' OG ' ' HB3' ' D' ' 13' ' ' GLU . 32.7 t -50.29 -44.57 53.97 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -178.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -70.51 -17.26 62.95 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.876 -0.602 . . . . 0.0 112.357 -178.385 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.789 HD11 ' HB2' ' A' ' 7' ' ' CYS . 12.2 mt -88.18 -34.81 17.69 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 107.207 -1.405 . . . . 0.0 107.207 176.311 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 1.063 HG11 HG11 ' D' ' 12' ' ' VAL . 51.6 t -66.17 -47.69 83.81 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 CA-C-N 114.421 -1.263 . . . . 0.0 112.188 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.578 ' HB3' ' OG ' ' D' ' 9' ' ' SER . 14.1 pt-20 -54.58 -40.43 68.79 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.709 0.29 . . . . 0.0 111.442 -178.69 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.27 -31.1 43.32 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.124 178.609 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.718 HD11 HD11 ' A' ' 2' ' ' ILE . 0.9 OUTLIER -58.25 -60.19 4.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.203 179.623 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 16' ' ' TYR . . . . . 0.789 ' HB2' ' HG3' ' D' ' 28' ' ' PRO . 6.3 p90 -69.79 -18.3 63.47 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 120.396 -0.521 . . . . 0.0 110.829 -179.332 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.607 ' HG ' ' NE2' ' D' ' 5' ' ' HIS . 4.7 tt -69.59 -38.26 77.24 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 178.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 71.7 t -70.76 -42.98 77.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.387 178.27 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' CYS . . . . . 0.425 ' HB3' ' HB2' ' B' ' 22' ' ' ARG . 84.2 m -62.3 -32.51 73.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.318 179.234 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.64 -102.35 0.88 Allowed Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 115.859 -0.609 . . . . 0.0 112.939 179.308 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -87.17 -1.55 57.98 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.189 0.518 . . . . 0.0 110.514 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' ARG . . . . . 0.425 ' HB2' ' HB3' ' B' ' 19' ' ' CYS . 66.7 mtt85 -101.52 156.38 17.51 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.264 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 23' ' ' GLY . . . . . 0.883 ' HA2' ' HD2' ' D' ' 28' ' ' PRO . . . -101.62 -159.44 26.82 Favored Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 120.598 -0.81 . . . . 0.0 112.052 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 24' ' ' PHE . . . . . 0.877 ' HZ ' HG13 ' B' ' 12' ' ' VAL . 6.0 p90 -172.22 -176.22 1.58 Allowed 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 9.1 p90 -125.17 150.76 46.63 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 178.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.427 ' OH ' ' HA3' ' B' ' 8' ' ' GLY . 71.4 t80 -145.52 119.52 9.38 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.632 -0.427 . . . . 0.0 111.304 -179.289 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 27' ' ' THR . . . . . 0.715 HG22 ' HA3' ' D' ' 23' ' ' GLY . 6.9 p -124.09 99.33 37.74 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.768 178.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 28' ' ' PRO . . . . . 0.848 ' HD2' ' HA2' ' D' ' 23' ' ' GLY . 69.3 Cg_endo -74.48 55.34 3.63 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 123.169 2.579 . . . . 0.0 113.787 -178.475 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 4.8 ttpm? -124.57 -109.14 0.32 Allowed 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 178.552 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 62.5 m . . . . . 0 C--O 1.254 1.338 0 CA-C-O 117.528 -1.225 . . . . 0.0 108.135 178.907 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.67 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 2' ' ' ILE . . . . . 0.697 HD11 HD11 ' D' ' 15' ' ' LEU . 5.0 tt -152.49 -38.79 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 O-C-N 122.401 -0.47 . . . . 0.0 110.87 -179.69 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 3' ' ' VAL . . . . . 0.482 HG11 ' HG3' ' D' ' 4' ' ' GLN . 49.6 t -62.89 -73.4 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.156 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 74.9 tt0 -59.46 -34.89 73.09 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.631 0.253 . . . . 0.0 111.08 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 5' ' ' GLN . . . . . 0.592 ' HG2' ' SG ' ' C' ' 11' ' ' CYS . 16.9 tt0 -52.4 -42.68 64.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.972 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 6' ' ' CYS . . . . . 0.696 ' HB3' ' H2 ' ' C' ' 22' ' ' IPH . 74.5 m -99.03 -29.07 13.11 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -179.405 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 7' ' ' CYS . . . . . 0.805 ' HB2' HD11 ' D' ' 11' ' ' LEU . 49.8 t -81.68 45.31 0.88 Allowed 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.633 0.73 . . . . 0.0 111.14 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -133.78 -63.37 0.74 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.467 178.246 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 9' ' ' SER . . . . . 0.492 ' O ' ' HB ' ' C' ' 10' ' ' ILE . 8.6 t -143.47 23.45 1.8 Allowed 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.352 179.486 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 10' ' ' ILE . . . . . 0.544 HG21 ' CD2' ' L' ' 5' ' ' HIS . 1.9 mp 73.82 146.25 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.081 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 11' ' ' CYS . . . . . 0.592 ' SG ' ' HG2' ' C' ' 5' ' ' GLN . 73.0 m -101.3 167.17 10.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.886 0.374 . . . . 0.0 110.36 179.629 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 17.1 t -74.47 156.6 36.76 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 179.047 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 10.0 tt -58.52 -56.85 16.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.879 -179.013 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -65.88 -15.83 63.29 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.709 0.29 . . . . 0.0 111.499 -179.143 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -78.15 -23.84 47.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.96 0.41 . . . . 0.0 110.014 179.462 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 16' ' ' LEU . . . . . 0.467 HD22 ' HG ' ' D' ' 15' ' ' LEU . 97.6 mt -80.78 -26.53 37.16 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.111 0.481 . . . . 0.0 109.846 178.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 17' ' ' GLU . . . . . 0.692 ' HA ' ' SG ' ' C' ' 20' ' ' CYS . 0.9 OUTLIER -62.61 -20.1 64.41 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.907 179.049 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -63.05 -17.64 62.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.354 179.027 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -113.09 1.24 15.24 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -177.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 20' ' ' CYS . . . . . 0.692 ' SG ' ' HA ' ' C' ' 17' ' ' GLU . 84.9 m -73.18 141.69 47.39 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.75 0.31 . . . . 0.0 111.153 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 48.5 m-20 . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.873 -0.584 . . . . 0.0 109.579 179.576 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 6.3 p90 . . . . . 0 N--CA 1.481 1.101 0 N-CA-C 109.549 -0.538 . . . . 0.0 109.549 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 2' ' ' VAL . . . . . . . . . . . . . 17.0 m -117.66 175.16 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 C-N-CA 120.462 -0.495 . . . . 0.0 110.88 179.504 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 3' ' ' ASN . . . . . 0.49 ' H ' ' CD1' ' G' ' 10' ' ' ILE . 62.4 t30 -106.17 -178.45 3.65 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.246 -178.524 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 4' ' ' GLN . . . . . 0.689 ' HA ' ' HB3' ' D' ' 7' ' ' CYS . 0.3 OUTLIER -50.86 -29.3 11.49 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 123.844 0.858 . . . . 0.0 111.596 179.515 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 5' ' ' HIS . . . . . 0.607 ' NE2' ' HG ' ' B' ' 17' ' ' LEU . 42.9 t60 -57.73 -20.53 35.18 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.948 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 6' ' ' LEU . . . . . 0.838 HD21 ' H4 ' ' G' ' 22' ' ' IPH . 31.2 mt -120.5 -20.82 7.02 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.338 0.59 . . . . 0.0 110.231 178.822 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 7' ' ' CYS . . . . . 0.689 ' HB3' ' HA ' ' D' ' 4' ' ' GLN . 29.8 t -73.97 -36.6 64.59 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.161 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 8' ' ' GLY . . . . . 0.425 ' HA3' ' OH ' ' D' ' 26' ' ' TYR . . . -52.16 -50.29 46.57 Favored Glycine 0 C--O 1.227 -0.282 0 CA-C-N 116.003 -0.544 . . . . 0.0 114.413 -179.381 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 9' ' ' SER . . . . . 0.578 ' OG ' ' HB3' ' B' ' 13' ' ' GLU . 28.9 t -50.05 -44.63 51.69 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -178.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 10' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -70.48 -17.65 62.97 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.409 -178.383 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 11' ' ' LEU . . . . . 0.805 HD11 ' HB2' ' C' ' 7' ' ' CYS . 11.3 mt -87.56 -35.06 18.34 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 176.203 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 12' ' ' VAL . . . . . 1.063 HG11 HG11 ' B' ' 12' ' ' VAL . 50.5 t -66.0 -47.03 86.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 114.439 -1.255 . . . . 0.0 112.247 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 13' ' ' GLU . . . . . 0.587 ' HB3' ' OG ' ' B' ' 9' ' ' SER . 15.9 pt-20 -55.29 -39.78 70.3 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.552 0.215 . . . . 0.0 111.36 -178.662 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.83 -31.12 40.58 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.978 0.418 . . . . 0.0 110.014 178.391 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 15' ' ' LEU . . . . . 0.697 HD11 HD11 ' C' ' 2' ' ' ILE . 0.9 OUTLIER -57.99 -60.15 4.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.315 179.746 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 16' ' ' TYR . . . . . 0.802 ' HB2' ' HG3' ' B' ' 28' ' ' PRO . 5.8 p90 -70.03 -17.86 63.28 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.469 -0.492 . . . . 0.0 110.906 -179.434 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 17' ' ' LEU . . . . . 0.601 ' HG ' ' NE2' ' B' ' 5' ' ' HIS . 4.8 tt -70.01 -38.14 75.87 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 178.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 72.4 t -70.98 -42.88 77.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.377 178.239 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 19' ' ' CYS . . . . . 0.437 ' HB3' ' HB2' ' D' ' 22' ' ' ARG . 83.3 m -62.32 -32.48 73.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.22 179.2 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.12 -102.08 0.88 Allowed Glycine 0 C--N 1.333 0.397 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.891 179.074 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -87.71 -2.51 58.66 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.324 0.583 . . . . 0.0 110.459 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 22' ' ' ARG . . . . . 0.437 ' HB2' ' HB3' ' D' ' 19' ' ' CYS . 68.2 mtt85 -100.11 157.09 16.81 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.267 179.699 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 23' ' ' GLY . . . . . 0.848 ' HA2' ' HD2' ' B' ' 28' ' ' PRO . . . -102.66 -159.74 25.79 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.665 -0.779 . . . . 0.0 111.994 179.721 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 24' ' ' PHE . . . . . 0.859 ' HZ ' HG13 ' D' ' 12' ' ' VAL . 6.0 p90 -171.68 -175.36 1.55 Allowed 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 25' ' ' PHE . . . . . . . . . . . . . 9.1 p90 -126.22 150.41 48.39 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 178.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 26' ' ' TYR . . . . . 0.425 ' OH ' ' HA3' ' D' ' 8' ' ' GLY . 72.6 t80 -145.28 119.1 9.25 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.985 0.422 . . . . 0.0 111.489 -179.256 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 27' ' ' THR . . . . . 0.751 HG22 ' HA3' ' B' ' 23' ' ' GLY . 5.5 p -123.61 99.47 39.1 Favored Pre-proline 0 C--N 1.321 -0.67 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.783 179.043 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 28' ' ' PRO . . . . . 0.883 ' HD2' ' HA2' ' B' ' 23' ' ' GLY . 66.4 Cg_endo -74.26 54.88 3.39 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 123.137 2.558 . . . . 0.0 113.842 -178.412 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 29' ' ' LYS . . . . . 0.407 ' HB3' ' H ' ' D' ' 30' ' ' THR . 4.7 ttpm? -124.14 -109.35 0.32 Allowed 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 178.733 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 30' ' ' THR . . . . . 0.407 ' H ' ' HB3' ' D' ' 29' ' ' LYS . 90.3 m . . . . . 0 C--O 1.25 1.126 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 179.081 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.695 0 N-CA-C 112.146 -0.381 . . . . 0.0 112.146 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' E' E ' 2' ' ' ILE . . . . . 0.71 HD11 HD11 ' F' ' 15' ' ' LEU . 5.9 tt -152.75 -39.56 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-O 120.81 0.338 . . . . 0.0 111.085 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 3' ' ' VAL . . . . . 0.459 HG11 ' HG3' ' F' ' 4' ' ' GLN . 53.8 t -63.2 -71.83 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.695 -179.322 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 4' ' ' GLU . . . . . . . . . . . . . 77.1 tt0 -60.99 -35.57 77.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.579 0.228 . . . . 0.0 110.723 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 5' ' ' GLN . . . . . 0.576 ' HG2' ' SG ' ' E' ' 11' ' ' CYS . 16.8 tt0 -51.31 -41.91 60.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.122 179.536 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 6' ' ' CYS . . . . . 0.688 ' HB3' ' H2 ' ' E' ' 22' ' ' IPH . 73.0 m -99.85 -29.08 12.8 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.92 -179.329 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 7' ' ' CYS . . . . . 0.816 ' HB2' HD11 ' F' ' 11' ' ' LEU . 47.7 t -82.14 46.31 1.01 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.738 0.78 . . . . 0.0 111.05 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -134.77 -62.62 0.73 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.479 178.398 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 9' ' ' SER . . . . . 0.485 ' O ' ' HB ' ' E' ' 10' ' ' ILE . 8.7 t -144.35 23.4 1.64 Allowed 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.047 179.506 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 10' ' ' ILE . . . . . 0.537 HG21 ' CD2' ' J' ' 5' ' ' HIS . 1.9 mp 73.55 146.53 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.654 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.144 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 11' ' ' CYS . . . . . 0.576 ' SG ' ' HG2' ' E' ' 5' ' ' GLN . 70.8 m -100.83 168.86 9.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.718 0.294 . . . . 0.0 110.488 179.685 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 12' ' ' SER . . . . . . . . . . . . . 21.3 t -76.17 156.81 33.37 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 178.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 10.1 tt -58.74 -56.73 18.46 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.638 -178.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -66.19 -14.53 62.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.661 0.267 . . . . 0.0 111.589 -179.133 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -79.13 -24.12 43.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.986 0.422 . . . . 0.0 109.976 179.32 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 16' ' ' LEU . . . . . 0.487 HD22 ' HG ' ' F' ' 15' ' ' LEU . 97.7 mt -80.53 -26.53 38.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.001 178.729 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 17' ' ' GLU . . . . . 0.698 ' HA ' ' SG ' ' E' ' 20' ' ' CYS . 0.9 OUTLIER -63.41 -18.52 63.8 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.9 179.043 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' E' E ' 18' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -64.25 -16.87 62.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.285 178.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 19' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -113.74 0.69 14.61 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -178.126 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 20' ' ' CYS . . . . . 0.698 ' SG ' ' HA ' ' E' ' 17' ' ' GLU . 79.7 m -71.91 143.04 49.48 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.904 0.383 . . . . 0.0 111.185 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 21' ' ' ASN . . . . . . . . . . . . . 45.1 m-20 . . . . . 0 C--O 1.246 0.919 0 CA-C-O 118.907 -0.568 . . . . 0.0 109.872 179.565 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' F' F ' 1' ' ' PHE . . . . . . . . . . . . . 5.8 p90 . . . . . 0 N--CA 1.482 1.157 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' F' F ' 2' ' ' VAL . . . . . . . . . . . . . 17.5 m -118.48 175.93 3.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 C-N-CA 120.342 -0.543 . . . . 0.0 110.838 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 3' ' ' ASN . . . . . 0.506 ' H ' ' CD1' ' A' ' 10' ' ' ILE . 61.5 t30 -106.92 -179.22 3.87 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.165 -178.543 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 4' ' ' GLN . . . . . 0.668 ' HA ' ' HB3' ' F' ' 7' ' ' CYS . 0.3 OUTLIER -50.02 -29.68 9.16 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 123.755 0.822 . . . . 0.0 111.712 179.427 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' F' F ' 5' ' ' HIS . . . . . 0.606 ' NE2' ' HG ' ' H' ' 17' ' ' LEU . 44.6 t60 -57.5 -20.8 33.61 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.867 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 6' ' ' LEU . . . . . 0.861 HD21 ' H4 ' ' A' ' 22' ' ' IPH . 30.4 mt -119.85 -21.3 7.24 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.276 0.56 . . . . 0.0 110.311 178.69 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 7' ' ' CYS . . . . . 0.668 ' HB3' ' HA ' ' F' ' 4' ' ' GLN . 32.5 t -73.6 -36.57 65.53 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.108 -179.68 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 8' ' ' GLY . . . . . 0.435 ' HA3' ' OH ' ' F' ' 26' ' ' TYR . . . -51.99 -50.56 44.41 Favored Glycine 0 N--CA 1.452 -0.265 0 CA-C-N 115.92 -0.582 . . . . 0.0 114.413 -179.152 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 9' ' ' SER . . . . . 0.577 ' OG ' ' HB3' ' H' ' 13' ' ' GLU . 29.5 t -49.99 -44.45 50.99 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.416 0.524 . . . . 0.0 112.416 -179.052 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 10' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -70.54 -17.46 62.94 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.266 -178.555 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 11' ' ' LEU . . . . . 0.816 HD11 ' HB2' ' E' ' 7' ' ' CYS . 11.4 mt -88.11 -34.09 18.03 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 176.283 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 12' ' ' VAL . . . . . 1.088 HG11 HG11 ' H' ' 12' ' ' VAL . 50.7 t -66.61 -47.56 83.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 114.421 -1.263 . . . . 0.0 112.319 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 13' ' ' GLU . . . . . 0.587 ' HB3' ' OG ' ' H' ' 9' ' ' SER . 13.9 pt-20 -54.57 -40.65 68.97 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.607 0.242 . . . . 0.0 111.384 -178.749 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.27 -30.91 43.26 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.954 0.407 . . . . 0.0 110.226 178.571 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 15' ' ' LEU . . . . . 0.71 HD11 HD11 ' E' ' 2' ' ' ILE . 0.9 OUTLIER -58.37 -60.09 4.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.143 179.638 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' F' F ' 16' ' ' TYR . . . . . 0.814 ' HB2' ' HG3' ' H' ' 28' ' ' PRO . 5.9 p90 -69.73 -18.59 63.53 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.766 -179.448 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 17' ' ' LEU . . . . . 0.614 ' HG ' ' NE2' ' H' ' 5' ' ' HIS . 4.8 tt -69.2 -38.62 78.69 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 178.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 72.8 t -70.86 -42.38 77.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.55 178.236 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 19' ' ' CYS . . . . . 0.434 ' HB3' ' HB2' ' F' ' 22' ' ' ARG . 79.1 m -62.43 -33.6 75.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.076 179.108 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.98 -102.93 1.05 Allowed Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.923 -0.58 . . . . 0.0 112.685 179.208 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 21' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -86.2 -4.64 59.21 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.203 0.525 . . . . 0.0 110.408 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 22' ' ' ARG . . . . . 0.434 ' HB2' ' HB3' ' F' ' 19' ' ' CYS . 67.7 mtt85 -97.63 157.12 16.21 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.539 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 23' ' ' GLY . . . . . 0.858 ' HA2' ' HD2' ' H' ' 28' ' ' PRO . . . -102.94 -160.08 25.53 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.78 -0.724 . . . . 0.0 111.834 179.713 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 24' ' ' PHE . . . . . 0.855 ' HZ ' HG13 ' F' ' 12' ' ' VAL . 6.1 p90 -171.75 -176.08 1.68 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 25' ' ' PHE . . . . . . . . . . . . . 9.3 p90 -125.28 151.31 46.13 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 178.67 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 26' ' ' TYR . . . . . 0.435 ' OH ' ' HA3' ' F' ' 8' ' ' GLY . 72.7 t80 -146.06 119.1 8.79 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.623 -0.431 . . . . 0.0 111.37 -179.28 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 27' ' ' THR . . . . . 0.733 HG22 ' HA3' ' H' ' 23' ' ' GLY . 7.6 p -123.28 99.38 40.27 Favored Pre-proline 0 C--N 1.319 -0.727 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.816 178.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 28' ' ' PRO . . . . . 0.889 ' HD2' ' HA2' ' H' ' 23' ' ' GLY . 74.2 Cg_endo -74.59 56.13 3.92 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 123.081 2.521 . . . . 0.0 113.948 -178.529 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 29' ' ' LYS . . . . . . . . . . . . . 4.9 ttpm? -125.31 -108.7 0.32 Allowed 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 178.53 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 30' ' ' THR . . . . . . . . . . . . . 59.8 m . . . . . 0 C--O 1.252 1.217 0 CA-C-O 117.465 -1.255 . . . . 0.0 107.668 178.812 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' G' G ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.921 0 N-CA-C 111.728 -0.549 . . . . 0.0 111.728 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' G' G ' 2' ' ' ILE . . . . . 0.741 HD11 HD11 ' H' ' 15' ' ' LEU . 6.0 tt -149.09 -40.05 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 120.895 0.379 . . . . 0.0 111.061 -179.709 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 3' ' ' VAL . . . . . 0.458 HG11 ' HG3' ' H' ' 4' ' ' GLN . 53.3 t -62.24 -71.97 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.579 -179.303 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 4' ' ' GLU . . . . . . . . . . . . . 72.2 tt0 -61.2 -33.93 74.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.716 0.293 . . . . 0.0 110.839 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 5' ' ' GLN . . . . . 0.604 ' HG2' ' SG ' ' G' ' 11' ' ' CYS . 17.2 tt0 -53.01 -42.28 65.48 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.105 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 6' ' ' CYS . . . . . 0.703 ' HB3' ' H2 ' ' G' ' 22' ' ' IPH . 74.1 m -99.56 -28.97 12.97 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 -179.275 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 7' ' ' CYS . . . . . 0.797 ' HB2' HD11 ' H' ' 11' ' ' LEU . 47.3 t -81.54 45.3 0.86 Allowed 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 121.501 0.667 . . . . 0.0 111.197 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -134.07 -63.03 0.74 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.473 178.383 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 9' ' ' SER . . . . . 0.47 ' O ' ' HB ' ' G' ' 10' ' ' ILE . 8.3 t -143.66 24.76 1.69 Allowed 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.046 179.388 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 10' ' ' ILE . . . . . 0.539 HG21 ' CD2' ' D' ' 5' ' ' HIS . 1.9 mp 71.89 145.05 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.23 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 11' ' ' CYS . . . . . 0.604 ' SG ' ' HG2' ' G' ' 5' ' ' GLN . 74.1 m -100.28 166.97 10.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.767 0.317 . . . . 0.0 110.33 179.548 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 12' ' ' SER . . . . . . . . . . . . . 13.3 t -74.09 156.65 37.2 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 179.064 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 13' ' ' LEU . . . . . . . . . . . . . 10.1 tt -58.95 -56.79 17.77 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.735 -178.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -66.06 -14.7 62.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.591 0.234 . . . . 0.0 111.514 -179.039 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -79.36 -23.97 43.01 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 179.477 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 16' ' ' LEU . . . . . 0.493 HD22 ' HG ' ' H' ' 15' ' ' LEU . 97.6 mt -80.3 -27.24 38.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.075 0.465 . . . . 0.0 109.908 178.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 17' ' ' GLU . . . . . 0.703 ' HA ' ' SG ' ' G' ' 20' ' ' CYS . 0.8 OUTLIER -62.45 -19.46 63.53 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.044 179.155 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' G' G ' 18' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -62.77 -19.64 64.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.251 178.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 19' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -111.45 1.46 16.98 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 -177.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 20' ' ' CYS . . . . . 0.703 ' SG ' ' HA ' ' G' ' 17' ' ' GLU . 84.2 m -73.7 140.5 46.08 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.934 0.397 . . . . 0.0 111.315 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 21' ' ' ASN . . . . . . . . . . . . . 47.8 m-20 . . . . . 0 C--O 1.249 1.031 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.893 179.721 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' H' H ' 1' ' ' PHE . . . . . . . . . . . . . 6.1 p90 . . . . . 0 N--CA 1.483 1.182 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' H' H ' 2' ' ' VAL . . . . . 0.414 ' HB ' HD11 ' K' ' 10' ' ' ILE . 16.7 m -117.78 175.9 3.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 C-N-CA 120.2 -0.6 . . . . 0.0 110.947 179.549 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 3' ' ' ASN . . . . . 0.518 ' H ' ' CD1' ' K' ' 10' ' ' ILE . 59.6 t30 -106.79 -179.53 3.97 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.985 -178.633 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 4' ' ' GLN . . . . . 0.658 ' HA ' ' HB3' ' H' ' 7' ' ' CYS . 0.2 OUTLIER -49.55 -29.83 7.58 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 123.818 0.847 . . . . 0.0 111.733 179.348 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' H' H ' 5' ' ' HIS . . . . . 0.614 ' NE2' ' HG ' ' F' ' 17' ' ' LEU . 43.8 t60 -57.4 -20.37 29.39 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.89 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 6' ' ' LEU . . . . . 0.826 HD21 ' H4 ' ' K' ' 22' ' ' IPH . 29.6 mt -120.78 -21.01 6.79 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.268 0.556 . . . . 0.0 110.17 178.825 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 7' ' ' CYS . . . . . 0.658 ' HB3' ' HA ' ' H' ' 4' ' ' GLN . 29.7 t -73.88 -36.53 64.81 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.101 -179.697 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 8' ' ' GLY . . . . . 0.429 ' HA3' ' OH ' ' H' ' 26' ' ' TYR . . . -52.15 -50.16 47.04 Favored Glycine 0 C--O 1.228 -0.245 0 N-CA-C 114.59 0.596 . . . . 0.0 114.59 -179.114 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 9' ' ' SER . . . . . 0.587 ' OG ' ' HB3' ' F' ' 13' ' ' GLU . 29.2 t -50.2 -44.34 53.01 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -178.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 10' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -70.67 -17.59 62.84 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.964 -0.562 . . . . 0.0 112.209 -178.437 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 11' ' ' LEU . . . . . 0.797 HD11 ' HB2' ' G' ' 7' ' ' CYS . 11.9 mt -87.8 -34.76 18.16 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 107.237 -1.394 . . . . 0.0 107.237 176.305 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 12' ' ' VAL . . . . . 1.088 HG11 HG11 ' F' ' 12' ' ' VAL . 50.7 t -66.34 -47.43 84.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 114.359 -1.292 . . . . 0.0 112.24 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 13' ' ' GLU . . . . . 0.577 ' HB3' ' OG ' ' F' ' 9' ' ' SER . 13.7 pt-20 -54.53 -40.57 68.78 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.585 0.231 . . . . 0.0 111.349 -178.77 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 14' ' ' ALA . . . . . 0.403 ' O ' HG23 ' H' ' 18' ' ' VAL . . . -79.31 -31.07 43.11 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.908 0.385 . . . . 0.0 110.055 178.591 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 15' ' ' LEU . . . . . 0.741 HD11 HD11 ' G' ' 2' ' ' ILE . 0.9 OUTLIER -58.17 -60.19 4.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.186 179.882 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' H' H ' 16' ' ' TYR . . . . . 0.761 ' HB2' ' HG3' ' F' ' 28' ' ' PRO . 5.7 p90 -69.77 -18.3 63.48 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 120.353 -0.539 . . . . 0.0 110.91 -179.443 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 17' ' ' LEU . . . . . 0.606 ' HG ' ' NE2' ' F' ' 5' ' ' HIS . 4.7 tt -69.41 -38.82 78.1 Favored 'General case' 0 C--O 1.23 0.069 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 178.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 18' ' ' VAL . . . . . 0.403 HG23 ' O ' ' H' ' 14' ' ' ALA . 69.3 t -70.37 -42.65 78.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.539 178.182 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 19' ' ' CYS . . . . . 0.427 ' HB3' ' HB2' ' H' ' 22' ' ' ARG . 85.7 m -62.38 -32.76 73.62 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.209 179.199 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.37 -101.26 0.81 Allowed Glycine 0 N--CA 1.449 -0.438 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.948 178.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 21' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -88.88 -0.71 57.62 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.114 0.483 . . . . 0.0 110.372 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 22' ' ' ARG . . . . . 0.427 ' HB2' ' HB3' ' H' ' 19' ' ' CYS . 69.5 mtt85 -102.19 156.07 17.8 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.091 179.735 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 23' ' ' GLY . . . . . 0.889 ' HA2' ' HD2' ' F' ' 28' ' ' PRO . . . -101.26 -159.6 27.2 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.091 179.537 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 24' ' ' PHE . . . . . 0.862 ' HZ ' HG13 ' H' ' 12' ' ' VAL . 5.8 p90 -172.25 -176.18 1.56 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 25' ' ' PHE . . . . . . . . . . . . . 9.0 p90 -125.08 151.43 45.67 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 178.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 26' ' ' TYR . . . . . 0.429 ' OH ' ' HA3' ' H' ' 8' ' ' GLY . 71.6 t80 -146.29 118.96 8.57 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.445 -179.261 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 27' ' ' THR . . . . . 0.721 HG22 ' HA3' ' F' ' 23' ' ' GLY . 6.8 p -123.63 99.42 39.09 Favored Pre-proline 0 C--N 1.318 -0.78 0 CA-C-N 116.187 -0.461 . . . . 0.0 109.856 178.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 28' ' ' PRO . . . . . 0.858 ' HD2' ' HA2' ' F' ' 23' ' ' GLY . 65.5 Cg_endo -74.26 55.29 3.5 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 123.185 2.59 . . . . 0.0 113.731 -178.322 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 29' ' ' LYS . . . . . . . . . . . . . 4.6 ttpm? -124.78 -109.87 0.32 Allowed 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 178.461 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 30' ' ' THR . . . . . . . . . . . . . 60.6 m . . . . . 0 C--O 1.251 1.165 0 CA-C-O 117.631 -1.176 . . . . 0.0 108.009 179.176 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' I' I ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.89 0 N-CA-C 112.227 -0.349 . . . . 0.0 112.227 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' I' I ' 2' ' ' ILE . . . . . 0.722 HD11 HD11 ' J' ' 15' ' ' LEU . 5.5 tt -151.13 -39.53 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-O 120.947 0.403 . . . . 0.0 110.978 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' I' I ' 3' ' ' VAL . . . . . 0.471 HG11 ' HG3' ' J' ' 4' ' ' GLN . 51.9 t -63.04 -71.83 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.449 -179.448 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' I' I ' 4' ' ' GLU . . . . . . . . . . . . . 72.1 tt0 -60.65 -34.8 74.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.718 0.294 . . . . 0.0 110.72 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 5' ' ' GLN . . . . . 0.601 ' HG2' ' SG ' ' I' ' 11' ' ' CYS . 17.5 tt0 -52.86 -41.79 64.62 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.255 179.586 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' I' I ' 6' ' ' CYS . . . . . 0.698 ' HB3' ' H2 ' ' I' ' 22' ' ' IPH . 73.7 m -100.03 -29.17 12.69 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 -179.399 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' I' I ' 7' ' ' CYS . . . . . 0.812 ' HB2' HD11 ' J' ' 11' ' ' LEU . 49.0 t -81.48 45.43 0.87 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.725 0.774 . . . . 0.0 111.168 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' I' I ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -134.08 -61.49 0.79 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.879 178.428 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' I' I ' 9' ' ' SER . . . . . 0.464 ' O ' ' HB ' ' I' ' 10' ' ' ILE . 8.6 t -146.01 25.03 1.3 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.843 179.471 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' I' I ' 10' ' ' ILE . . . . . 0.517 ' CD1' ' H ' ' B' ' 3' ' ' ASN . 2.0 mp 71.28 143.88 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.551 179.716 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' I' I ' 11' ' ' CYS . . . . . 0.601 ' SG ' ' HG2' ' I' ' 5' ' ' GLN . 71.7 m -96.8 171.61 8.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.867 0.365 . . . . 0.0 110.717 179.473 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' I' I ' 12' ' ' SER . . . . . . . . . . . . . 23.2 t -78.66 158.16 28.46 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 178.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 13' ' ' LEU . . . . . . . . . . . . . 10.1 tt -59.91 -56.76 17.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.43 -179.169 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -65.54 -16.17 63.42 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.653 0.242 . . . . 0.0 111.653 -179.159 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -77.67 -24.27 49.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.904 0.383 . . . . 0.0 110.01 179.341 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 16' ' ' LEU . . . . . 0.476 HD22 ' HG ' ' J' ' 15' ' ' LEU . 97.8 mt -80.35 -26.65 38.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.226 0.536 . . . . 0.0 110.02 178.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' I' I ' 17' ' ' GLU . . . . . 0.678 ' HA ' ' SG ' ' I' ' 20' ' ' CYS . 0.8 OUTLIER -63.11 -18.98 64.0 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.024 179.23 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' I' I ' 18' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -64.63 -15.1 60.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.411 179.166 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 19' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -115.69 1.12 13.43 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 -178.033 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 20' ' ' CYS . . . . . 0.678 ' SG ' ' HA ' ' I' ' 17' ' ' GLU . 81.1 m -73.42 140.08 46.29 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.865 0.364 . . . . 0.0 111.163 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' I' I ' 21' ' ' ASN . . . . . . . . . . . . . 44.8 m-20 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.747 -0.644 . . . . 0.0 109.85 179.803 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' J' J ' 1' ' ' PHE . . . . . . . . . . . . . 6.2 p90 . . . . . 0 N--CA 1.483 1.186 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' J' J ' 2' ' ' VAL . . . . . . . . . . . . . 16.4 m -116.9 176.57 2.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 C-N-CA 120.174 -0.611 . . . . 0.0 111.08 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' J' J ' 3' ' ' ASN . . . . . 0.489 ' H ' ' CD1' ' E' ' 10' ' ' ILE . 61.8 t30 -107.5 -179.67 3.98 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.964 -178.628 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' J' J ' 4' ' ' GLN . . . . . 0.674 ' HA ' ' HB3' ' J' ' 7' ' ' CYS . 0.2 OUTLIER -49.65 -29.04 6.62 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.874 0.869 . . . . 0.0 111.695 179.259 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' J' J ' 5' ' ' HIS . . . . . 0.621 ' NE2' ' HG ' ' L' ' 17' ' ' LEU . 46.7 t60 -58.31 -20.45 43.09 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.797 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' J' J ' 6' ' ' LEU . . . . . 0.829 HD21 ' H4 ' ' E' ' 22' ' ' IPH . 29.9 mt -120.1 -21.35 7.07 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.31 0.576 . . . . 0.0 110.29 178.644 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' J' J ' 7' ' ' CYS . . . . . 0.674 ' HB3' ' HA ' ' J' ' 4' ' ' GLN . 31.8 t -73.51 -36.45 65.74 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.252 -179.703 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' J' J ' 8' ' ' GLY . . . . . 0.433 ' HA3' ' OH ' ' J' ' 26' ' ' TYR . . . -52.24 -50.45 46.39 Favored Glycine 0 N--CA 1.451 -0.329 0 CA-C-N 115.94 -0.573 . . . . 0.0 114.478 -179.084 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' J' J ' 9' ' ' SER . . . . . 0.574 ' CB ' ' HB3' ' L' ' 13' ' ' GLU . 30.0 t -49.77 -44.48 48.83 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -179.12 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' J' J ' 10' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -70.76 -17.5 62.79 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.055 -0.521 . . . . 0.0 112.266 -178.355 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' J' J ' 11' ' ' LEU . . . . . 0.812 HD11 ' HB2' ' I' ' 7' ' ' CYS . 11.8 mt -87.71 -34.75 18.28 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 107.222 -1.399 . . . . 0.0 107.222 176.393 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' J' J ' 12' ' ' VAL . . . . . 1.04 HG11 HG11 ' L' ' 12' ' ' VAL . 51.1 t -66.43 -47.24 84.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 CA-C-N 114.404 -1.271 . . . . 0.0 112.181 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' J' J ' 13' ' ' GLU . . . . . 0.601 ' HB3' ' OG ' ' L' ' 9' ' ' SER . 16.0 pt-20 -54.83 -40.03 69.15 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.587 0.232 . . . . 0.0 111.417 -178.816 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' J' J ' 14' ' ' ALA . . . . . . . . . . . . . . . -80.0 -30.96 39.73 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.922 0.392 . . . . 0.0 110.143 178.565 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' J' J ' 15' ' ' LEU . . . . . 0.722 HD11 HD11 ' I' ' 2' ' ' ILE . 0.9 OUTLIER -57.94 -60.19 4.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.296 179.673 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' J' J ' 16' ' ' TYR . . . . . 0.786 ' HB2' ' HG3' ' L' ' 28' ' ' PRO . 6.2 p90 -69.67 -18.61 63.58 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.836 -179.471 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' J' J ' 17' ' ' LEU . . . . . 0.621 ' HG ' ' NE2' ' L' ' 5' ' ' HIS . 4.6 tt -69.15 -39.31 78.9 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 178.821 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 69.4 t -69.68 -43.11 80.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.603 178.097 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' J' J ' 19' ' ' CYS . . . . . 0.455 ' HB3' ' HB2' ' J' ' 22' ' ' ARG . 85.9 m -61.72 -34.56 76.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.026 179.172 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' J' J ' 20' ' ' GLY . . . . . . . . . . . . . . . 70.82 -101.32 0.92 Allowed Glycine 0 C--N 1.332 0.324 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.885 179.085 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' J' J ' 21' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -88.44 -2.49 58.63 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.222 0.534 . . . . 0.0 110.254 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' J' J ' 22' ' ' ARG . . . . . 0.455 ' HB2' ' HB3' ' J' ' 19' ' ' CYS . 66.5 mtt85 -99.73 157.15 16.69 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.15 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' J' J ' 23' ' ' GLY . . . . . 0.876 ' HA2' ' HD2' ' L' ' 28' ' ' PRO . . . -102.94 -159.34 25.47 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.557 -0.83 . . . . 0.0 111.889 179.504 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' J' J ' 24' ' ' PHE . . . . . 0.878 ' HZ ' HG13 ' J' ' 12' ' ' VAL . 5.9 p90 -172.2 -175.62 1.46 Allowed 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' J' J ' 25' ' ' PHE . . . . . . . . . . . . . 9.3 p90 -125.75 151.2 47.01 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 178.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' J' J ' 26' ' ' TYR . . . . . 0.433 ' OH ' ' HA3' ' J' ' 8' ' ' GLY . 72.1 t80 -146.12 119.06 8.72 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.669 -0.413 . . . . 0.0 111.375 -179.309 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' J' J ' 27' ' ' THR . . . . . 0.727 HG22 ' HA3' ' L' ' 23' ' ' GLY . 7.3 p -123.6 99.45 39.16 Favored Pre-proline 0 C--N 1.32 -0.695 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 178.715 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' J' J ' 28' ' ' PRO . . . . . 0.869 ' HD2' ' HA2' ' L' ' 23' ' ' GLY . 64.9 Cg_endo -74.11 54.56 3.23 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 123.179 2.586 . . . . 0.0 113.768 -178.327 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' J' J ' 29' ' ' LYS . . . . . . . . . . . . . 4.7 ttpm? -123.68 -110.23 0.32 Allowed 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 178.63 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' J' J ' 30' ' ' THR . . . . . . . . . . . . . 91.0 m . . . . . 0 C--O 1.254 1.315 0 CA-C-O 117.654 -1.165 . . . . 0.0 107.957 178.972 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.668 0 N-CA-C 111.767 -0.533 . . . . 0.0 111.767 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' K' K ' 2' ' ' ILE . . . . . 0.695 HD11 HD11 ' L' ' 15' ' ' LEU . 5.3 tt -152.72 -39.29 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.842 0.353 . . . . 0.0 110.987 179.64 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' K' K ' 3' ' ' VAL . . . . . 0.464 HG11 ' HG3' ' L' ' 4' ' ' GLN . 53.5 t -62.96 -71.81 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.356 -179.373 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' K' K ' 4' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -60.85 -35.05 75.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.704 0.288 . . . . 0.0 110.783 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' K' K ' 5' ' ' GLN . . . . . 0.601 ' HG2' ' SG ' ' K' ' 11' ' ' CYS . 16.8 tt0 -51.63 -42.78 62.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.143 179.452 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' K' K ' 6' ' ' CYS . . . . . 0.697 ' HB3' ' H2 ' ' K' ' 22' ' ' IPH . 73.6 m -99.4 -28.59 13.2 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -179.133 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' K' K ' 7' ' ' CYS . . . . . 0.805 ' HB2' HD11 ' L' ' 11' ' ' LEU . 49.8 t -82.06 45.38 0.92 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.537 0.684 . . . . 0.0 111.133 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' K' K ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -134.12 -62.65 0.75 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.605 178.314 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' K' K ' 9' ' ' SER . . . . . 0.463 ' O ' ' HB ' ' K' ' 10' ' ' ILE . 10.7 t -144.08 24.5 1.63 Allowed 'General case' 0 C--O 1.238 0.485 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 179.437 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' K' K ' 10' ' ' ILE . . . . . 0.542 HG21 ' CD2' ' H' ' 5' ' ' HIS . 2.0 mp 71.63 143.99 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.489 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' K' K ' 11' ' ' CYS . . . . . 0.601 ' SG ' ' HG2' ' K' ' 5' ' ' GLN . 75.5 m -98.41 167.2 10.98 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 120.901 0.382 . . . . 0.0 110.82 179.499 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' K' K ' 12' ' ' SER . . . . . . . . . . . . . 17.2 t -74.0 156.97 36.99 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 178.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' K' K ' 13' ' ' LEU . . . . . . . . . . . . . 10.0 tt -59.52 -56.69 18.83 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.682 -178.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -65.56 -16.01 63.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.563 0.22 . . . . 0.0 111.357 -179.123 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -78.18 -23.71 47.5 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-O 120.977 0.418 . . . . 0.0 110.25 179.466 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' K' K ' 16' ' ' LEU . . . . . 0.467 HD22 ' HG ' ' L' ' 15' ' ' LEU . 97.0 mt -80.28 -26.82 38.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.991 178.673 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' K' K ' 17' ' ' GLU . . . . . 0.69 ' HA ' ' SG ' ' K' ' 20' ' ' CYS . 0.7 OUTLIER -63.33 -18.67 63.88 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.007 179.264 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' K' K ' 18' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -64.08 -18.07 64.03 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.164 179.059 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' K' K ' 19' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -112.6 1.17 15.68 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -178.033 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' K' K ' 20' ' ' CYS . . . . . 0.69 ' SG ' ' HA ' ' K' ' 17' ' ' GLU . 81.6 m -73.13 140.07 46.84 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.949 0.404 . . . . 0.0 111.37 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' K' K ' 21' ' ' ASN . . . . . . . . . . . . . 43.1 m-20 . . . . . 0 C--O 1.246 0.884 0 CA-C-O 118.517 -0.754 . . . . 0.0 110.226 179.659 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' L' L ' 1' ' ' PHE . . . . . . . . . . . . . 6.2 p90 . . . . . 0 N--CA 1.482 1.153 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' L' L ' 2' ' ' VAL . . . . . 0.4 ' HB ' HD11 ' C' ' 10' ' ' ILE . 16.4 m -118.21 175.41 3.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 C-N-CA 120.38 -0.528 . . . . 0.0 110.889 179.627 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' L' L ' 3' ' ' ASN . . . . . 0.503 ' H ' ' CD1' ' C' ' 10' ' ' ILE . 60.8 t30 -106.56 -179.72 4.02 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.094 -178.514 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' L' L ' 4' ' ' GLN . . . . . 0.68 ' HA ' ' HB3' ' L' ' 7' ' ' CYS . 0.2 OUTLIER -49.63 -29.32 7.03 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 123.717 0.807 . . . . 0.0 111.827 179.344 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' L' L ' 5' ' ' HIS . . . . . 0.621 ' NE2' ' HG ' ' J' ' 17' ' ' LEU . 47.0 t60 -57.81 -20.62 37.11 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.793 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' L' L ' 6' ' ' LEU . . . . . 0.822 HD21 ' H4 ' ' C' ' 22' ' ' IPH . 30.4 mt -120.23 -21.67 6.87 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.28 0.562 . . . . 0.0 110.203 178.775 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' L' L ' 7' ' ' CYS . . . . . 0.68 ' HB3' ' HA ' ' L' ' 4' ' ' GLN . 28.2 t -73.26 -36.3 66.35 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.103 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' L' L ' 8' ' ' GLY . . . . . 0.422 ' HA3' ' OH ' ' L' ' 26' ' ' TYR . . . -52.31 -50.34 47.28 Favored Glycine 0 C--O 1.227 -0.292 0 CA-C-N 116.018 -0.537 . . . . 0.0 114.424 -179.116 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' L' L ' 9' ' ' SER . . . . . 0.601 ' OG ' ' HB3' ' J' ' 13' ' ' GLU . 31.6 t -49.85 -44.56 49.72 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.175 0.512 . . . . 0.0 112.309 -179.113 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' L' L ' 10' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -70.73 -17.14 62.81 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.293 -178.243 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' L' L ' 11' ' ' LEU . . . . . 0.805 HD11 ' HB2' ' K' ' 7' ' ' CYS . 12.4 mt -87.91 -35.16 17.86 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 107.156 -1.424 . . . . 0.0 107.156 176.258 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' L' L ' 12' ' ' VAL . . . . . 1.04 HG11 HG11 ' J' ' 12' ' ' VAL . 52.2 t -66.03 -47.44 85.05 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-N 114.49 -1.232 . . . . 0.0 112.19 -179.705 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' L' L ' 13' ' ' GLU . . . . . 0.574 ' HB3' ' CB ' ' J' ' 9' ' ' SER . 14.3 pt-20 -54.42 -40.9 68.73 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.621 0.248 . . . . 0.0 111.369 -178.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' L' L ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.07 -31.04 44.27 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.854 0.359 . . . . 0.0 110.213 178.405 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' L' L ' 15' ' ' LEU . . . . . 0.695 HD11 HD11 ' K' ' 2' ' ' ILE . 0.9 OUTLIER -58.07 -60.16 4.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.241 179.534 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' L' L ' 16' ' ' TYR . . . . . 0.783 ' HB2' ' HG3' ' J' ' 28' ' ' PRO . 6.1 p90 -69.92 -18.23 63.37 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.416 -0.514 . . . . 0.0 110.888 -179.308 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' L' L ' 17' ' ' LEU . . . . . 0.621 ' HG ' ' NE2' ' J' ' 5' ' ' HIS . 4.8 tt -69.43 -38.54 77.89 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 178.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 72.2 t -70.69 -43.26 77.56 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 CA-C-N 115.734 -0.667 . . . . 0.0 109.395 178.192 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' L' L ' 19' ' ' CYS . . . . . 0.417 ' HB3' ' HB2' ' L' ' 22' ' ' ARG . 84.1 m -61.98 -31.53 71.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.314 179.062 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' L' L ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.86 -101.67 0.75 Allowed Glycine 0 N--CA 1.451 -0.36 0 CA-C-N 115.987 -0.551 . . . . 0.0 113.27 179.213 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' L' L ' 21' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -87.07 -5.08 59.17 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.172 0.511 . . . . 0.0 110.324 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' L' L ' 22' ' ' ARG . . . . . 0.417 ' HB2' ' HB3' ' L' ' 19' ' ' CYS . 67.3 mtt85 -97.7 158.17 15.65 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.449 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' L' L ' 23' ' ' GLY . . . . . 0.869 ' HA2' ' HD2' ' J' ' 28' ' ' PRO . . . -103.92 -159.86 24.57 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.833 -0.699 . . . . 0.0 111.931 179.631 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' L' L ' 24' ' ' PHE . . . . . 0.877 ' HZ ' HG13 ' L' ' 12' ' ' VAL . 6.0 p90 -171.74 -175.55 1.57 Allowed 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.8 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' L' L ' 25' ' ' PHE . . . . . . . . . . . . . 9.4 p90 -125.75 150.51 47.68 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 178.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' L' L ' 26' ' ' TYR . . . . . 0.422 ' OH ' ' HA3' ' L' ' 8' ' ' GLY . 72.2 t80 -145.21 119.69 9.68 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.7 -0.4 . . . . 0.0 111.248 -179.336 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' L' L ' 27' ' ' THR . . . . . 0.741 HG22 ' HA3' ' J' ' 23' ' ' GLY . 6.6 p -124.11 99.28 37.74 Favored Pre-proline 0 C--N 1.321 -0.674 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.847 178.781 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' L' L ' 28' ' ' PRO . . . . . 0.876 ' HD2' ' HA2' ' J' ' 23' ' ' GLY . 65.2 Cg_endo -74.42 55.63 3.68 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 123.215 2.61 . . . . 0.0 113.794 -178.525 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' L' L ' 29' ' ' LYS . . . . . . . . . . . . . 4.7 ttpm? -124.61 -108.27 0.33 Allowed 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 178.56 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' L' L ' 30' ' ' THR . . . . . . . . . . . . . 82.9 m . . . . . 0 C--O 1.25 1.111 0 CA-C-O 117.46 -1.257 . . . . 0.0 107.675 179.036 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 22' ' ' IPH . . . . . 0.861 ' H4 ' HD21 ' F' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 22' ' ' IPH . . . . . 0.822 ' H4 ' HD21 ' L' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 22' ' ' IPH . . . . . 0.829 ' H4 ' HD21 ' J' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 22' ' ' IPH . . . . . 0.838 ' H4 ' HD21 ' D' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 22' ' ' IPH . . . . . 0.83 ' H4 ' HD21 ' B' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' K' K ' 22' ' ' IPH . . . . . 0.826 ' H4 ' HD21 ' H' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.352 0 N-CA-C 112.191 -0.364 . . . . 0.0 112.191 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.7 tt -164.6 -38.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 120.999 0.428 . . . . 0.0 110.615 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.417 ' CG1' ' HG3' ' B' ' 4' ' ' GLN . 97.7 t -65.7 -48.22 83.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.404 0.621 . . . . 0.0 110.609 179.563 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.521 ' H ' ' CD ' ' A' ' 4' ' ' GLU . 0.4 OUTLIER -68.22 -18.77 64.66 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.453 -179.713 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.491 ' HG2' ' SG ' ' A' ' 11' ' ' CYS . 36.4 tt0 -98.69 -39.98 8.4 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 -177.574 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 84.2 m -104.21 -35.53 7.98 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 114.226 1.195 . . . . 0.0 114.226 -177.067 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.637 ' HB2' HD11 ' B' ' 11' ' ' LEU . 52.1 t -73.3 -13.15 61.07 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 121.827 -0.546 . . . . 0.0 111.094 -178.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.15 -61.08 1.92 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.123 179.472 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.465 ' O ' ' HB ' ' A' ' 10' ' ' ILE . 70.7 m -151.1 31.57 0.61 Allowed 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.477 HG12 ' HB3' ' F' ' 5' ' ' HIS . 1.7 mp 72.63 145.23 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 178.709 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.491 ' SG ' ' HG2' ' A' ' 5' ' ' GLN . 95.8 m -104.85 171.97 7.04 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.596 179.3 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.7 m -81.06 168.01 19.12 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.698 0.285 . . . . 0.0 110.447 178.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.441 ' HG ' ' CG1' ' B' ' 18' ' ' VAL . 10.1 tt -57.39 -54.08 50.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.941 -178.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -69.49 -17.62 63.62 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -178.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -70.7 -36.91 73.51 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 178.467 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.438 ' HB3' HD23 ' B' ' 15' ' ' LEU . 89.8 mt -71.98 -31.45 66.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.545 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -62.36 -22.03 65.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.295 -179.444 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 32.2 m120 -70.54 -10.33 58.96 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.535 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -104.41 3.6 32.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.655 0.264 . . . . 0.0 110.852 -179.542 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 68.4 m -67.99 161.06 27.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.248 0.547 . . . . 0.0 112.1 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 52.4 m-20 . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.096 -0.954 . . . . 0.0 109.771 179.2 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 54.9 t80 . . . . . 0 N--CA 1.483 1.193 0 N-CA-C 111.207 0.077 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 28.2 m 46.54 -147.28 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 124.072 0.949 . . . . 0.0 112.613 -179.298 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -159.85 -172.46 3.66 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -178.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' GLN . . . . . 0.818 ' HA ' ' HB3' ' B' ' 7' ' ' CYS . 19.4 tm0? -56.55 -25.38 51.93 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 122.671 0.389 . . . . 0.0 110.199 179.285 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 5' ' ' HIS . . . . . 0.506 ' NE2' ' HG ' ' D' ' 17' ' ' LEU . 35.0 t60 -58.63 -18.31 29.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.263 179.372 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.804 HD21 ' H4 ' ' I' ' 22' ' ' IPH . 35.8 mt -127.13 -8.0 5.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.278 0.561 . . . . 0.0 110.288 178.482 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 7' ' ' CYS . . . . . 0.818 ' HB3' ' HA ' ' B' ' 4' ' ' GLN . 5.4 t -89.76 -43.97 10.31 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.854 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 8' ' ' GLY . . . . . 0.549 ' HA2' HD12 ' B' ' 11' ' ' LEU . . . -62.67 -27.7 70.3 Favored Glycine 0 N--CA 1.45 -0.389 0 CA-C-N 116.149 -0.478 . . . . 0.0 113.302 -179.472 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 9' ' ' SER . . . . . 0.864 ' HB2' ' HG2' ' D' ' 13' ' ' GLU . 38.8 p -62.03 -24.7 67.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.935 0.398 . . . . 0.0 111.313 -179.353 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 10' ' ' HIS . . . . . 0.469 ' HA ' ' HG3' ' B' ' 13' ' ' GLU . 98.4 m-70 -99.23 -17.51 18.08 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.879 0.371 . . . . 0.0 111.193 -179.122 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.699 HD23 ' H5 ' ' A' ' 22' ' ' IPH . 52.9 mt -71.09 -40.32 71.61 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 177.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.581 ' HA ' HD12 ' B' ' 15' ' ' LEU . 3.1 m -68.59 -27.26 35.62 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-N 115.039 -0.982 . . . . 0.0 111.904 179.578 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.868 ' HG2' ' HB2' ' D' ' 9' ' ' SER . 39.8 mt-10 -59.98 -46.88 88.01 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-O 121.458 0.647 . . . . 0.0 109.774 179.425 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.35 -26.59 52.15 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.375 179.071 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.581 HD12 ' HA ' ' B' ' 12' ' ' VAL . 12.8 mt -55.28 -57.43 11.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.977 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 16' ' ' TYR . . . . . 1.032 ' HB3' ' HE2' ' B' ' 24' ' ' PHE . 18.5 p90 -74.34 -27.21 60.58 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 119.89 -0.724 . . . . 0.0 111.393 -179.091 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.55 HD11 ' H3 ' ' G' ' 22' ' ' IPH . 7.2 tt -67.1 -51.4 54.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.169 179.745 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.441 ' CG1' ' HG ' ' A' ' 13' ' ' LEU . 77.7 t -70.7 -35.95 62.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.141 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 37.9 t -66.25 -23.21 66.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.82 0.343 . . . . 0.0 111.24 -179.498 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.53 25.8 27.0 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.346 -0.931 . . . . 0.0 111.957 179.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 64.43 24.39 13.16 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.983 0.734 . . . . 0.0 112.983 179.24 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 65.0 mtt180 -70.45 -39.2 74.46 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.825 0.822 . . . . 0.0 108.896 178.3 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' GLY . . . . . 0.724 ' HA3' HG22 ' D' ' 27' ' ' THR . . . 127.7 162.29 11.05 Favored Glycine 0 N--CA 1.441 -1.003 0 CA-C-N 114.393 -1.276 . . . . 0.0 110.319 -178.636 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 24' ' ' PHE . . . . . 1.032 ' HE2' ' HB3' ' B' ' 16' ' ' TYR . 37.5 p90 -165.02 173.77 11.18 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 117.298 0.549 . . . . 0.0 110.512 -179.646 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 5.2 p90 -126.36 139.54 53.2 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.373 178.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -131.18 104.37 7.03 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' THR . . . . . 0.748 HG22 ' HA3' ' D' ' 23' ' ' GLY . 7.5 p -122.82 95.45 46.37 Favored Pre-proline 0 C--N 1.318 -0.762 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.808 -179.179 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -80.81 40.05 0.94 Allowed 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.946 2.431 . . . . 0.0 111.3 179.373 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -128.13 90.74 3.14 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.816 -1.084 . . . . 0.0 109.504 -179.136 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 13.1 t . . . . . 0 C--O 1.246 0.883 0 CA-C-O 118.84 -0.6 . . . . 0.0 109.568 -179.054 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.462 0 N-CA-C 112.092 -0.403 . . . . 0.0 112.092 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 9.4 tt -167.41 -37.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-O 120.763 0.316 . . . . 0.0 110.762 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 3' ' ' VAL . . . . . 0.438 ' CG1' ' HG3' ' D' ' 4' ' ' GLN . 90.6 t -66.97 -46.88 83.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.382 0.61 . . . . 0.0 110.936 179.369 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 4' ' ' GLU . . . . . 0.534 ' H ' ' CD ' ' C' ' 4' ' ' GLU . 0.4 OUTLIER -68.94 -20.88 64.21 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.001 -179.782 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 5' ' ' GLN . . . . . 0.473 ' HG2' ' SG ' ' C' ' 11' ' ' CYS . 17.9 tt0 -96.71 -40.18 9.1 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -177.459 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 84.4 m -103.89 -35.49 8.14 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 114.28 1.215 . . . . 0.0 114.28 -176.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 7' ' ' CYS . . . . . 0.65 ' HB2' HD11 ' D' ' 11' ' ' LEU . 52.6 t -73.23 -13.46 61.15 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.471 -0.492 . . . . 0.0 111.103 -179.045 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.97 -59.87 2.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.257 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 9' ' ' SER . . . . . 0.477 ' O ' ' HB ' ' C' ' 10' ' ' ILE . 73.7 m -152.29 31.21 0.54 Allowed 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 111.735 0.272 . . . . 0.0 111.735 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 10' ' ' ILE . . . . . 0.477 ' HB ' ' O ' ' C' ' 9' ' ' SER . 1.7 mp 72.96 145.15 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 178.601 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 11' ' ' CYS . . . . . 0.473 ' SG ' ' HG2' ' C' ' 5' ' ' GLN . 99.1 m -104.51 172.47 6.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.426 -0.807 . . . . 0.0 110.296 179.33 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 34.0 m -81.5 169.07 17.57 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.365 178.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 13' ' ' LEU . . . . . 0.442 ' HG ' ' CG1' ' D' ' 18' ' ' VAL . 10.2 tt -58.53 -53.81 54.17 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 123.001 0.521 . . . . 0.0 111.849 -179.104 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -69.79 -16.55 63.31 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -179.045 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -71.97 -37.09 69.98 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.852 0.358 . . . . 0.0 110.124 178.528 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 16' ' ' LEU . . . . . 0.466 ' HB3' HD23 ' D' ' 15' ' ' LEU . 87.5 mt -71.92 -30.41 65.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.796 179.627 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -63.14 -21.1 65.97 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.273 -179.431 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -71.57 -9.05 57.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.323 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -105.96 4.37 29.41 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.78 0.324 . . . . 0.0 110.777 -179.421 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 67.1 m -68.99 159.97 31.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.391 0.615 . . . . 0.0 111.788 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 47.3 m-20 . . . . . 0 C--O 1.252 1.206 0 CA-C-O 118.416 -0.802 . . . . 0.0 110.015 179.232 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 57.9 t80 . . . . . 0 N--CA 1.483 1.196 0 N-CA-C 111.264 0.098 . . . . 0.0 111.264 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 2' ' ' VAL . . . . . 0.412 ' HB ' HD11 ' G' ' 10' ' ' ILE . 28.6 m 45.69 -146.54 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 124.059 0.944 . . . . 0.0 112.544 -179.055 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 3' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -160.45 -173.27 3.91 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 -178.453 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 4' ' ' GLN . . . . . 0.796 ' HA ' ' HB3' ' D' ' 7' ' ' CYS . 17.5 tm0? -56.4 -24.72 46.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.842 0.353 . . . . 0.0 110.204 179.572 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 5' ' ' HIS . . . . . 0.512 ' NE2' ' HG ' ' B' ' 17' ' ' LEU . 34.9 t60 -58.78 -18.49 32.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.85 -0.613 . . . . 0.0 111.301 179.376 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 6' ' ' LEU . . . . . 0.82 HD21 ' H4 ' ' G' ' 22' ' ' IPH . 35.3 mt -126.66 -9.26 6.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.262 0.554 . . . . 0.0 110.333 178.492 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 7' ' ' CYS . . . . . 0.796 ' HB3' ' HA ' ' D' ' 4' ' ' GLN . 5.9 t -88.3 -43.67 11.38 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.149 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 8' ' ' GLY . . . . . 0.538 ' HA2' HD12 ' D' ' 11' ' ' LEU . . . -62.42 -28.63 71.42 Favored Glycine 0 N--CA 1.45 -0.413 0 CA-C-N 116.059 -0.519 . . . . 0.0 113.379 -179.397 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 9' ' ' SER . . . . . 0.868 ' HB2' ' HG2' ' B' ' 13' ' ' GLU . 38.3 p -61.56 -24.83 66.91 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.947 0.403 . . . . 0.0 111.488 -179.283 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 10' ' ' HIS . . . . . 0.466 ' HA ' ' HG3' ' D' ' 13' ' ' GLU . 98.4 m-70 -99.04 -17.14 18.41 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.04 -179.229 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 11' ' ' LEU . . . . . 0.699 HD23 ' H5 ' ' C' ' 22' ' ' IPH . 52.5 mt -71.61 -40.34 69.9 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 177.855 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 12' ' ' VAL . . . . . 0.593 ' HA ' HD12 ' D' ' 15' ' ' LEU . 3.2 m -68.87 -27.12 34.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.097 -0.956 . . . . 0.0 111.802 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 13' ' ' GLU . . . . . 0.864 ' HG2' ' HB2' ' B' ' 9' ' ' SER . 41.1 mt-10 -59.84 -46.69 88.48 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.327 0.584 . . . . 0.0 109.771 179.379 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.39 -26.54 51.91 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.464 179.3 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 15' ' ' LEU . . . . . 0.593 HD12 ' HA ' ' D' ' 12' ' ' VAL . 12.9 mt -55.66 -57.29 12.6 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.899 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 16' ' ' TYR . . . . . 1.064 ' HB3' ' HE2' ' D' ' 24' ' ' PHE . 18.7 p90 -74.18 -27.57 60.88 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 119.665 -0.814 . . . . 0.0 111.262 -179.058 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 17' ' ' LEU . . . . . 0.581 HD11 ' H3 ' ' I' ' 22' ' ' IPH . 7.0 tt -67.03 -50.94 60.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.91 0.386 . . . . 0.0 110.34 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 18' ' ' VAL . . . . . 0.442 ' CG1' ' HG ' ' C' ' 13' ' ' LEU . 76.7 t -70.83 -37.15 67.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.123 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 19' ' ' CYS . . . . . . . . . . . . . 37.7 t -64.71 -24.62 67.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.32 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.33 27.45 20.43 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.37 -0.919 . . . . 0.0 111.911 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 63.07 23.3 13.89 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 179.089 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 22' ' ' ARG . . . . . . . . . . . . . 66.2 mtt180 -69.49 -41.42 76.16 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 121.995 0.902 . . . . 0.0 108.661 178.058 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 23' ' ' GLY . . . . . 0.748 ' HA3' HG22 ' B' ' 27' ' ' THR . . . 129.72 162.77 10.94 Favored Glycine 0 N--CA 1.44 -1.068 0 CA-C-N 114.325 -1.307 . . . . 0.0 110.201 -178.767 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 24' ' ' PHE . . . . . 1.064 ' HE2' ' HB3' ' D' ' 16' ' ' TYR . 37.8 p90 -164.91 174.49 10.5 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 117.134 0.467 . . . . 0.0 110.603 -179.733 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 25' ' ' PHE . . . . . . . . . . . . . 5.0 p90 -126.88 139.44 53.07 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.367 178.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 26' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -131.29 103.52 6.51 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.174 0.511 . . . . 0.0 109.74 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 27' ' ' THR . . . . . 0.724 HG22 ' HA3' ' B' ' 23' ' ' GLY . 8.4 p -121.8 95.39 47.83 Favored Pre-proline 0 C--N 1.318 -0.798 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.894 -179.334 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 28' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -81.36 43.37 1.52 Allowed 'Trans proline' 0 N--CA 1.463 -0.286 0 C-N-CA 122.727 2.285 . . . . 0.0 110.954 179.337 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -131.36 90.23 2.83 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.68 -1.146 . . . . 0.0 109.31 -178.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 14.5 t . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.756 -0.64 . . . . 0.0 109.979 -178.807 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.667 0 N-CA-C 112.215 -0.354 . . . . 0.0 112.215 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' E' E ' 2' ' ' ILE . . . . . . . . . . . . . 9.4 tt -167.45 -36.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 120.743 0.306 . . . . 0.0 110.787 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 3' ' ' VAL . . . . . 0.442 ' O ' ' HB3' ' E' ' 7' ' ' CYS . 97.4 t -67.77 -47.13 80.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.253 0.549 . . . . 0.0 110.309 179.414 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 4' ' ' GLU . . . . . 0.526 ' H ' ' CD ' ' E' ' 4' ' ' GLU . 0.4 OUTLIER -68.69 -20.23 64.41 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.38 -179.778 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' E' E ' 5' ' ' GLN . . . . . 0.521 ' HG2' ' SG ' ' E' ' 11' ' ' CYS . 17.3 tt0 -97.74 -39.89 8.83 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 -177.486 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 6' ' ' CYS . . . . . . . . . . . . . 85.9 m -103.92 -35.94 7.96 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 -176.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 7' ' ' CYS . . . . . 0.666 ' HB2' HD11 ' F' ' 11' ' ' LEU . 52.8 t -73.39 -12.47 60.83 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.546 -0.462 . . . . 0.0 111.048 -178.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.51 -59.22 2.83 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.26 179.556 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 9' ' ' SER . . . . . 0.477 ' O ' ' HB ' ' E' ' 10' ' ' ILE . 66.7 m -153.27 31.52 0.48 Allowed 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 111.844 0.313 . . . . 0.0 111.844 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 10' ' ' ILE . . . . . 0.477 ' HB ' ' O ' ' E' ' 9' ' ' SER . 1.7 mp 72.66 144.94 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 CA-C-O 121.456 0.646 . . . . 0.0 112.729 178.677 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 11' ' ' CYS . . . . . 0.521 ' SG ' ' HG2' ' E' ' 5' ' ' GLN . 98.3 m -104.1 173.01 6.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.254 -0.884 . . . . 0.0 110.194 179.422 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 12' ' ' SER . . . . . . . . . . . . . 45.7 m -83.01 168.44 16.97 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.685 0.278 . . . . 0.0 110.476 178.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 13' ' ' LEU . . . . . 0.437 ' HG ' ' CG1' ' F' ' 18' ' ' VAL . 10.1 tt -57.24 -54.18 49.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.862 -178.697 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -69.58 -17.23 63.53 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -179.08 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -70.55 -37.59 74.06 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 178.341 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 16' ' ' LEU . . . . . 0.448 ' HB3' HD23 ' F' ' 15' ' ' LEU . 86.1 mt -71.77 -30.54 65.67 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.892 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 17' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -63.29 -20.19 65.25 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.477 -179.688 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 18' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -71.97 -11.88 60.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.886 0.375 . . . . 0.0 111.116 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 19' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -103.29 5.09 37.23 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.83 0.348 . . . . 0.0 111.289 -179.479 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 20' ' ' CYS . . . . . . . . . . . . . 67.0 m -69.33 160.02 32.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.3 0.572 . . . . 0.0 111.85 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 21' ' ' ASN . . . . . . . . . . . . . 48.2 m-20 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.321 -0.847 . . . . 0.0 110.563 179.594 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' F' F ' 1' ' ' PHE . . . . . . . . . . . . . 55.6 t80 . . . . . 0 N--CA 1.484 1.254 0 N-CA-C 111.3 0.111 . . . . 0.0 111.3 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' F' F ' 2' ' ' VAL . . . . . 0.404 ' HB ' HD11 ' A' ' 10' ' ' ILE . 27.5 m 46.53 -147.36 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 124.194 0.997 . . . . 0.0 112.418 -179.247 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 3' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -159.47 -171.95 3.52 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 -178.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 4' ' ' GLN . . . . . 0.832 ' HA ' ' HB3' ' F' ' 7' ' ' CYS . 17.4 tm0? -57.42 -24.06 53.27 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 122.635 0.374 . . . . 0.0 110.162 179.477 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 5' ' ' HIS . . . . . 0.503 ' NE2' ' HG ' ' H' ' 17' ' ' LEU . 35.8 t60 -59.42 -18.05 35.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.337 179.375 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 6' ' ' LEU . . . . . 0.845 HD21 ' H4 ' ' A' ' 22' ' ' IPH . 32.4 mt -127.26 -8.98 5.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.237 0.541 . . . . 0.0 110.132 178.629 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 7' ' ' CYS . . . . . 0.832 ' HB3' ' HA ' ' F' ' 4' ' ' GLN . 6.4 t -88.63 -43.68 11.17 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.053 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 8' ' ' GLY . . . . . 0.507 ' HA2' HD12 ' F' ' 11' ' ' LEU . . . -62.74 -28.27 71.34 Favored Glycine 0 N--CA 1.451 -0.313 0 CA-C-N 116.038 -0.528 . . . . 0.0 113.323 -179.423 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 9' ' ' SER . . . . . 0.853 ' HB2' ' HG2' ' H' ' 13' ' ' GLU . 28.8 p -61.77 -24.75 67.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.903 0.382 . . . . 0.0 111.415 -179.284 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 10' ' ' HIS . . . . . 0.48 ' HA ' ' HG3' ' F' ' 13' ' ' GLU . 98.4 m-70 -99.09 -17.2 18.34 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.854 0.359 . . . . 0.0 111.174 -179.192 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 11' ' ' LEU . . . . . 0.695 HD23 ' H5 ' ' E' ' 22' ' ' IPH . 53.7 mt -71.47 -40.51 70.23 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 177.778 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 12' ' ' VAL . . . . . 0.596 ' HA ' HD12 ' F' ' 15' ' ' LEU . 2.9 m -68.37 -27.66 37.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 CA-C-N 114.975 -1.011 . . . . 0.0 111.767 179.495 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 13' ' ' GLU . . . . . 0.852 ' HG2' ' HB2' ' H' ' 9' ' ' SER . 39.8 mt-10 -59.32 -46.97 87.13 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.376 0.608 . . . . 0.0 109.849 179.274 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.47 -26.65 51.59 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.45 179.176 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 15' ' ' LEU . . . . . 0.596 HD12 ' HA ' ' F' ' 12' ' ' VAL . 12.7 mt -55.53 -57.2 12.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.974 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 16' ' ' TYR . . . . . 1.095 ' HB3' ' HE2' ' F' ' 24' ' ' PHE . 19.0 p90 -74.37 -27.58 60.72 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 119.7 -0.8 . . . . 0.0 111.254 -179.087 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 17' ' ' LEU . . . . . 0.56 HD11 ' H3 ' ' K' ' 22' ' ' IPH . 7.2 tt -67.0 -50.41 62.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.332 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 18' ' ' VAL . . . . . 0.437 ' CG1' ' HG ' ' E' ' 13' ' ' LEU . 79.7 t -71.36 -37.42 65.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.977 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 19' ' ' CYS . . . . . . . . . . . . . 35.8 t -64.32 -25.23 67.95 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.291 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.4 25.98 22.11 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.092 -1.051 . . . . 0.0 111.72 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 64.05 24.11 13.44 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 179.077 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 22' ' ' ARG . . . . . . . . . . . . . 64.3 mtt180 -69.76 -40.6 76.0 Favored 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 178.01 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 23' ' ' GLY . . . . . 0.75 ' HA3' HG22 ' H' ' 27' ' ' THR . . . 128.86 162.81 11.08 Favored Glycine 0 N--CA 1.44 -1.073 0 CA-C-N 114.151 -1.386 . . . . 0.0 110.332 -178.816 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 24' ' ' PHE . . . . . 1.095 ' HE2' ' HB3' ' F' ' 16' ' ' TYR . 37.9 p90 -164.84 174.48 10.56 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 117.28 0.54 . . . . 0.0 110.518 -179.768 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 25' ' ' PHE . . . . . . . . . . . . . 5.2 p90 -127.06 139.59 52.89 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 178.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 26' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -131.46 103.82 6.64 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.183 0.516 . . . . 0.0 109.76 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 27' ' ' THR . . . . . 0.731 HG22 ' HA3' ' H' ' 23' ' ' GLY . 11.4 p -121.98 96.0 47.12 Favored Pre-proline 0 C--N 1.319 -0.743 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.808 -179.476 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 28' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -80.59 39.44 0.85 Allowed 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.692 2.261 . . . . 0.0 111.162 179.296 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 29' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -127.69 91.85 3.37 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.072 -0.967 . . . . 0.0 109.361 -179.097 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 30' ' ' THR . . . . . . . . . . . . . 14.7 t . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.764 -0.636 . . . . 0.0 109.564 -179.153 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' G' G ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.893 0 N-CA-C 112.72 -0.152 . . . . 0.0 112.72 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' G' G ' 2' ' ' ILE . . . . . . . . . . . . . 9.8 tt -165.76 -37.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 120.887 0.375 . . . . 0.0 110.542 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 3' ' ' VAL . . . . . 0.412 ' CG1' ' HG3' ' H' ' 4' ' ' GLN . 93.4 t -66.19 -47.92 83.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.316 0.579 . . . . 0.0 110.498 179.259 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 4' ' ' GLU . . . . . 0.53 ' H ' ' CD ' ' G' ' 4' ' ' GLU . 0.3 OUTLIER -68.62 -18.01 64.22 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.32 -0.855 . . . . 0.0 111.593 -179.698 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' G' G ' 5' ' ' GLN . . . . . 0.497 ' HG2' ' SG ' ' G' ' 11' ' ' CYS . 18.2 tt0 -99.38 -40.67 7.77 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 -177.48 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 6' ' ' CYS . . . . . . . . . . . . . 85.8 m -103.29 -36.19 8.15 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 114.274 1.213 . . . . 0.0 114.274 -176.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 7' ' ' CYS . . . . . 0.65 ' HB2' HD11 ' H' ' 11' ' ' LEU . 52.8 t -73.36 -12.37 60.8 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 118.279 0.491 . . . . 0.0 111.306 -178.82 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.77 -60.54 2.18 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.002 179.503 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 9' ' ' SER . . . . . 0.45 ' O ' ' HB ' ' G' ' 10' ' ' ILE . 71.3 m -151.81 33.06 0.55 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.665 0.246 . . . . 0.0 111.665 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 10' ' ' ILE . . . . . 0.484 HG12 ' HB3' ' D' ' 5' ' ' HIS . 1.8 mp 71.4 145.79 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 N-CA-C 112.855 0.687 . . . . 0.0 112.855 178.617 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 11' ' ' CYS . . . . . 0.497 ' SG ' ' HG2' ' G' ' 5' ' ' GLN . 98.8 m -105.13 172.36 6.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.35 179.261 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 12' ' ' SER . . . . . . . . . . . . . 48.4 m -81.88 168.54 17.83 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.731 0.301 . . . . 0.0 110.507 178.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 13' ' ' LEU . . . . . 0.418 ' HG ' ' CG1' ' H' ' 18' ' ' VAL . 10.2 tt -57.55 -54.25 48.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.925 -178.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -69.34 -17.54 63.72 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -179.051 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -70.58 -37.54 73.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.792 0.329 . . . . 0.0 110.135 178.458 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 16' ' ' LEU . . . . . 0.43 ' HB3' HD23 ' H' ' 15' ' ' LEU . 90.3 mt -71.56 -31.13 66.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.727 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 17' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -62.62 -20.61 64.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.603 -179.421 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 18' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -71.28 -11.99 61.21 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.907 0.384 . . . . 0.0 111.15 179.639 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 19' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -102.95 4.65 37.71 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.795 0.331 . . . . 0.0 111.044 -179.433 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 20' ' ' CYS . . . . . . . . . . . . . 67.6 m -69.4 158.39 35.2 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.369 0.604 . . . . 0.0 112.057 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 21' ' ' ASN . . . . . . . . . . . . . 49.4 m-20 . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.379 -0.82 . . . . 0.0 109.887 179.029 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' H' H ' 1' ' ' PHE . . . . . . . . . . . . . 54.9 t80 . . . . . 0 N--CA 1.483 1.213 0 CA-C-O 120.437 0.16 . . . . 0.0 111.303 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' H' H ' 2' ' ' VAL . . . . . 0.407 ' HB ' HD11 ' K' ' 10' ' ' ILE . 27.7 m 45.94 -147.49 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 C-N-CA 124.125 0.97 . . . . 0.0 112.437 -179.252 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' H' H ' 3' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -159.17 -171.92 3.56 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 122.094 -0.379 . . . . 0.0 110.024 -178.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 4' ' ' GLN . . . . . 0.822 ' HA ' ' HB3' ' H' ' 7' ' ' CYS . 16.9 tm0? -56.49 -25.99 52.99 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 123.413 0.446 . . . . 0.0 110.204 179.369 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' H' H ' 5' ' ' HIS . . . . . 0.509 ' NE2' ' HG ' ' F' ' 17' ' ' LEU . 34.5 t60 -57.68 -18.81 22.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.493 179.453 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' H' H ' 6' ' ' LEU . . . . . 0.799 HD21 ' H4 ' ' K' ' 22' ' ' IPH . 35.3 mt -126.58 -9.38 6.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.41 0.624 . . . . 0.0 110.358 178.42 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' H' H ' 7' ' ' CYS . . . . . 0.822 ' HB3' ' HA ' ' H' ' 4' ' ' GLN . 6.0 t -88.15 -43.76 11.41 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.061 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' H' H ' 8' ' ' GLY . . . . . 0.542 ' HA2' HD12 ' H' ' 11' ' ' LEU . . . -62.62 -28.16 70.99 Favored Glycine 0 N--CA 1.45 -0.367 0 CA-C-N 116.08 -0.509 . . . . 0.0 113.422 -179.271 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' H' H ' 9' ' ' SER . . . . . 0.852 ' HB2' ' HG2' ' F' ' 13' ' ' GLU . 36.9 p -61.98 -24.56 67.1 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.946 0.403 . . . . 0.0 111.42 -179.269 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' H' H ' 10' ' ' HIS . . . . . 0.456 ' HA ' ' HG3' ' H' ' 13' ' ' GLU . 98.3 m-70 -98.92 -17.4 18.38 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.868 0.366 . . . . 0.0 111.11 -179.37 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' H' H ' 11' ' ' LEU . . . . . 0.699 HD23 ' H5 ' ' G' ' 22' ' ' IPH . 48.9 mt -71.28 -40.51 70.85 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 177.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' H' H ' 12' ' ' VAL . . . . . 0.599 ' HA ' HD12 ' H' ' 15' ' ' LEU . 3.0 m -68.52 -27.45 36.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.074 -0.966 . . . . 0.0 111.898 179.636 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' H' H ' 13' ' ' GLU . . . . . 0.853 ' HG2' ' HB2' ' F' ' 9' ' ' SER . 40.4 mt-10 -59.57 -46.58 88.51 Favored 'General case' 0 CA--C 1.521 -0.138 0 CA-C-O 121.364 0.602 . . . . 0.0 109.844 179.277 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' H' H ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.79 -26.54 49.75 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.517 179.198 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 15' ' ' LEU . . . . . 0.599 HD12 ' HA ' ' H' ' 12' ' ' VAL . 12.9 mt -55.48 -57.62 11.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.246 -0.433 . . . . 0.0 112.042 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' H' H ' 16' ' ' TYR . . . . . 1.06 ' HB3' ' HE2' ' H' ' 24' ' ' PHE . 18.3 p90 -74.14 -27.48 60.87 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 119.781 -0.767 . . . . 0.0 111.25 -179.071 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' H' H ' 17' ' ' LEU . . . . . 0.556 HD11 ' H3 ' ' A' ' 22' ' ' IPH . 7.1 tt -66.85 -51.38 56.15 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.194 179.775 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' H' H ' 18' ' ' VAL . . . . . 0.418 ' CG1' ' HG ' ' G' ' 13' ' ' LEU . 79.7 t -70.49 -37.25 69.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.175 179.703 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' H' H ' 19' ' ' CYS . . . . . . . . . . . . . 36.5 t -64.61 -24.11 67.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.388 -179.603 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.88 26.96 23.0 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.325 -0.94 . . . . 0.0 111.881 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 21' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 63.26 24.44 14.3 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 179.171 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 22' ' ' ARG . . . . . . . . . . . . . 69.0 mtt180 -70.12 -39.51 75.4 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.756 0.789 . . . . 0.0 108.945 177.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 23' ' ' GLY . . . . . 0.731 ' HA3' HG22 ' F' ' 27' ' ' THR . . . 127.8 162.78 11.2 Favored Glycine 0 N--CA 1.441 -1.0 0 CA-C-N 114.191 -1.368 . . . . 0.0 110.316 -178.391 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' H' H ' 24' ' ' PHE . . . . . 1.06 ' HE2' ' HB3' ' H' ' 16' ' ' TYR . 36.5 p90 -165.19 174.39 10.32 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 117.205 0.503 . . . . 0.0 110.461 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' H' H ' 25' ' ' PHE . . . . . . . . . . . . . 4.9 p90 -126.91 139.63 52.93 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 178.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 26' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -131.23 103.42 6.46 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.09 0.471 . . . . 0.0 109.734 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 27' ' ' THR . . . . . 0.75 HG22 ' HA3' ' F' ' 23' ' ' GLY . 6.1 p -121.84 95.8 47.49 Favored Pre-proline 0 C--N 1.317 -0.813 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.853 -179.271 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' H' H ' 28' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -81.27 41.24 1.11 Allowed 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.817 2.345 . . . . 0.0 111.232 179.341 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 29' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -129.07 89.29 2.84 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.918 -1.037 . . . . 0.0 109.499 -178.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 30' ' ' THR . . . . . . . . . . . . . 14.9 t . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.824 -0.607 . . . . 0.0 109.547 -179.224 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' I' I ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.409 0 N-CA-C 112.355 -0.298 . . . . 0.0 112.355 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' I' I ' 2' ' ' ILE . . . . . . . . . . . . . 8.6 tt -167.36 -36.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.083 0.468 . . . . 0.0 110.753 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 3' ' ' VAL . . . . . 0.423 ' CG1' ' HG3' ' J' ' 4' ' ' GLN . 96.5 t -67.43 -48.68 76.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.329 0.585 . . . . 0.0 110.26 179.265 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' I' I ' 4' ' ' GLU . . . . . 0.533 ' CD ' ' H ' ' I' ' 4' ' ' GLU . 0.4 OUTLIER -67.15 -20.5 65.76 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.499 -179.863 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' I' I ' 5' ' ' GLN . . . . . 0.504 ' HG2' ' SG ' ' I' ' 11' ' ' CYS . 17.7 tt0 -97.11 -39.73 9.17 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 113.018 0.747 . . . . 0.0 113.018 -177.536 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' I' I ' 6' ' ' CYS . . . . . . . . . . . . . 86.2 m -104.44 -35.59 7.85 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 -176.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 7' ' ' CYS . . . . . 0.626 ' HB2' HD11 ' J' ' 11' ' ' LEU . 52.7 t -73.58 -12.88 60.91 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.411 -0.516 . . . . 0.0 111.079 -179.086 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' I' I ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.24 -60.84 2.03 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.143 179.596 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' I' I ' 9' ' ' SER . . . . . 0.455 ' O ' ' HB ' ' I' ' 10' ' ' ILE . 73.4 m -151.29 32.14 0.59 Allowed 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 111.753 0.279 . . . . 0.0 111.753 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' I' I ' 10' ' ' ILE . . . . . 0.455 ' HB ' ' O ' ' I' ' 9' ' ' SER . 1.7 mp 72.44 147.56 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 CA-C-O 121.415 0.626 . . . . 0.0 112.626 178.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' I' I ' 11' ' ' CYS . . . . . 0.504 ' SG ' ' HG2' ' I' ' 5' ' ' GLN . 96.0 m -106.94 172.35 6.87 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 123.441 0.696 . . . . 0.0 110.267 179.577 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' I' I ' 12' ' ' SER . . . . . . . . . . . . . 44.2 m -82.07 168.19 18.04 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.795 0.331 . . . . 0.0 110.445 178.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 13' ' ' LEU . . . . . 0.421 ' HG ' ' CG1' ' J' ' 18' ' ' VAL . 10.1 tt -57.0 -54.11 50.42 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.808 -179.029 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -69.97 -16.1 63.14 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -179.018 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -71.75 -37.72 70.5 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 178.502 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 16' ' ' LEU . . . . . 0.43 ' HB3' HD23 ' J' ' 15' ' ' LEU . 88.2 mt -71.38 -30.35 66.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.126 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' I' I ' 17' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -63.66 -20.76 65.96 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.332 -179.471 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 18' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -71.94 -8.17 52.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.844 0.354 . . . . 0.0 111.357 179.602 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 19' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -106.65 4.28 27.72 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.952 0.406 . . . . 0.0 110.842 -179.549 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 20' ' ' CYS . . . . . . . . . . . . . 65.8 m -69.57 158.66 34.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.914 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 21' ' ' ASN . . . . . . . . . . . . . 50.8 m-20 . . . . . 0 C--O 1.249 1.057 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.057 179.229 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' J' J ' 1' ' ' PHE . . . . . . . . . . . . . 56.0 t80 . . . . . 0 N--CA 1.484 1.257 0 CA-C-O 120.371 0.129 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' J' J ' 2' ' ' VAL . . . . . 0.414 ' HB ' HD11 ' E' ' 10' ' ' ILE . 28.6 m 45.89 -146.55 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 C-N-CA 124.183 0.993 . . . . 0.0 112.58 -179.237 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' J' J ' 3' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -160.24 -173.16 3.89 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 -178.647 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 4' ' ' GLN . . . . . 0.796 ' HA ' ' HB3' ' J' ' 7' ' ' CYS . 17.0 tm0? -56.12 -25.5 46.19 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.843 0.354 . . . . 0.0 110.147 179.375 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' J' J ' 5' ' ' HIS . . . . . 0.525 ' NE2' ' HG ' ' L' ' 17' ' ' LEU . 34.7 t60 -58.08 -18.22 23.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.564 179.445 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' J' J ' 6' ' ' LEU . . . . . 0.827 HD21 ' H4 ' ' E' ' 22' ' ' IPH . 36.5 mt -127.33 -8.79 5.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.241 0.543 . . . . 0.0 110.143 178.493 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' J' J ' 7' ' ' CYS . . . . . 0.796 ' HB3' ' HA ' ' J' ' 4' ' ' GLN . 6.6 t -88.96 -42.86 11.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.186 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' J' J ' 8' ' ' GLY . . . . . 0.551 ' HA2' HD12 ' J' ' 11' ' ' LEU . . . -63.26 -28.82 72.86 Favored Glycine 0 N--CA 1.452 -0.238 0 CA-C-N 116.001 -0.545 . . . . 0.0 113.155 -179.429 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' J' J ' 9' ' ' SER . . . . . 0.864 ' HB2' ' HG2' ' L' ' 13' ' ' GLU . 35.4 p -61.29 -24.89 66.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.855 0.359 . . . . 0.0 111.528 -179.372 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' J' J ' 10' ' ' HIS . . . . . 0.483 ' HA ' ' HG3' ' J' ' 13' ' ' GLU . 98.5 m-70 -98.97 -17.29 18.39 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.888 0.375 . . . . 0.0 111.1 -179.14 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' J' J ' 11' ' ' LEU . . . . . 0.708 HD23 ' H5 ' ' I' ' 22' ' ' IPH . 49.5 mt -71.37 -40.46 70.61 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 177.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' J' J ' 12' ' ' VAL . . . . . 0.611 ' HA ' HD12 ' J' ' 15' ' ' LEU . 3.2 m -68.67 -27.22 35.28 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 CA-C-N 114.98 -1.009 . . . . 0.0 111.843 179.593 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' J' J ' 13' ' ' GLU . . . . . 0.864 ' HG2' ' HB2' ' L' ' 9' ' ' SER . 39.7 mt-10 -60.07 -46.11 90.66 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.342 0.592 . . . . 0.0 109.829 179.355 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' J' J ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.94 -26.47 48.94 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.357 179.182 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 15' ' ' LEU . . . . . 0.611 HD12 ' HA ' ' J' ' 12' ' ' VAL . 12.8 mt -55.77 -57.38 12.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.901 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' J' J ' 16' ' ' TYR . . . . . 1.046 ' HB3' ' HE2' ' J' ' 24' ' ' PHE . 18.4 p90 -74.07 -27.52 60.95 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 119.735 -0.786 . . . . 0.0 111.397 -179.139 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' J' J ' 17' ' ' LEU . . . . . 0.576 HD11 ' H3 ' ' C' ' 22' ' ' IPH . 7.0 tt -66.86 -51.41 55.84 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.326 179.744 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' J' J ' 18' ' ' VAL . . . . . 0.421 ' CG1' ' HG ' ' I' ' 13' ' ' LEU . 74.6 t -70.52 -36.95 68.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 179.658 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' J' J ' 19' ' ' CYS . . . . . . . . . . . . . 37.5 t -65.54 -20.33 66.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.332 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.71 27.27 32.6 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.299 -0.953 . . . . 0.0 112.375 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 21' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 62.55 26.38 15.67 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 113.183 0.809 . . . . 0.0 113.183 179.185 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 22' ' ' ARG . . . . . . . . . . . . . 63.5 mtt180 -71.94 -40.59 68.63 Favored 'General case' 0 CA--C 1.519 -0.215 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 178.082 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 23' ' ' GLY . . . . . 0.706 ' HA3' HG22 ' L' ' 27' ' ' THR . . . 129.42 162.95 11.05 Favored Glycine 0 N--CA 1.443 -0.89 0 CA-C-N 114.167 -1.378 . . . . 0.0 110.18 -178.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' J' J ' 24' ' ' PHE . . . . . 1.046 ' HE2' ' HB3' ' J' ' 16' ' ' TYR . 36.4 p90 -165.3 173.6 11.04 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 117.261 0.53 . . . . 0.0 110.472 -179.615 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' J' J ' 25' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -126.09 139.81 53.09 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.251 178.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 26' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -131.31 103.71 6.61 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.042 0.449 . . . . 0.0 109.823 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 27' ' ' THR . . . . . 0.745 HG22 ' HA3' ' L' ' 23' ' ' GLY . 8.1 p -122.14 95.44 47.33 Favored Pre-proline 0 C--N 1.318 -0.79 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.063 -179.288 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' J' J ' 28' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_endo -80.6 40.2 0.95 Allowed 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.765 2.31 . . . . 0.0 111.235 179.467 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 29' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -128.6 89.33 2.88 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.771 -1.104 . . . . 0.0 109.501 -179.099 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 30' ' ' THR . . . . . . . . . . . . . 15.3 t . . . . . 0 C--O 1.248 0.99 0 CA-C-O 118.849 -0.596 . . . . 0.0 109.584 -179.361 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.166 0 N-CA-C 111.719 -0.552 . . . . 0.0 111.719 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' K' K ' 2' ' ' ILE . . . . . . . . . . . . . 9.4 tt -167.01 -37.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 120.783 0.325 . . . . 0.0 110.772 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' K' K ' 3' ' ' VAL . . . . . 0.416 ' O ' ' HB3' ' K' ' 7' ' ' CYS . 93.8 t -66.31 -48.43 81.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 121.278 0.561 . . . . 0.0 110.455 179.472 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' K' K ' 4' ' ' GLU . . . . . 0.54 ' CD ' ' H ' ' K' ' 4' ' ' GLU . 0.4 OUTLIER -67.61 -20.17 65.32 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.294 -179.831 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' K' K ' 5' ' ' GLN . . . . . 0.487 ' HG2' ' SG ' ' K' ' 11' ' ' CYS . 18.3 tt0 -97.32 -39.73 9.08 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -177.378 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' K' K ' 6' ' ' CYS . . . . . . . . . . . . . 83.4 m -104.22 -35.98 7.82 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 114.256 1.206 . . . . 0.0 114.256 -176.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' K' K ' 7' ' ' CYS . . . . . 0.659 ' HB2' HD11 ' L' ' 11' ' ' LEU . 52.6 t -73.25 -12.91 61.03 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 121.839 -0.538 . . . . 0.0 111.148 -178.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' K' K ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.47 -60.79 2.06 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.157 179.385 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' K' K ' 9' ' ' SER . . . . . 0.457 ' O ' ' HB ' ' K' ' 10' ' ' ILE . 73.0 m -151.34 31.79 0.59 Allowed 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' K' K ' 10' ' ' ILE . . . . . 0.459 HG12 ' HB3' ' H' ' 5' ' ' HIS . 1.7 mp 72.5 144.62 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.625 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 178.556 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' K' K ' 11' ' ' CYS . . . . . 0.487 ' SG ' ' HG2' ' K' ' 5' ' ' GLN . 97.0 m -104.03 172.67 6.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.316 179.382 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' K' K ' 12' ' ' SER . . . . . . . . . . . . . 42.3 m -81.91 167.88 18.5 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.747 0.308 . . . . 0.0 110.382 179.083 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' K' K ' 13' ' ' LEU . . . . . 0.441 ' HG ' ' CG1' ' L' ' 18' ' ' VAL . 10.2 tt -57.36 -54.07 50.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.609 -179.076 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -69.57 -17.07 63.52 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -178.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -70.5 -39.72 73.98 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 178.434 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' K' K ' 16' ' ' LEU . . . . . 0.442 ' HB3' HD23 ' L' ' 15' ' ' LEU . 88.3 mt -69.17 -31.29 69.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.154 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' K' K ' 17' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -62.62 -20.66 64.98 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.521 -179.597 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' K' K ' 18' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -71.66 -10.45 59.79 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.899 0.38 . . . . 0.0 111.215 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' K' K ' 19' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -104.49 3.96 32.59 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.963 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' K' K ' 20' ' ' CYS . . . . . . . . . . . . . 68.1 m -68.88 159.63 32.21 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.16 0.505 . . . . 0.0 112.078 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' K' K ' 21' ' ' ASN . . . . . . . . . . . . . 51.6 m-20 . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.475 -0.774 . . . . 0.0 109.975 178.948 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' L' L ' 1' ' ' PHE . . . . . . . . . . . . . 55.0 t80 . . . . . 0 N--CA 1.484 1.236 0 N-CA-C 111.365 0.135 . . . . 0.0 111.365 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' L' L ' 2' ' ' VAL . . . . . . . . . . . . . 28.5 m 46.14 -146.71 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 C-N-CA 124.281 1.032 . . . . 0.0 112.579 -179.281 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' L' L ' 3' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -160.05 -172.22 3.53 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 -178.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' L' L ' 4' ' ' GLN . . . . . 0.822 ' HA ' ' HB3' ' L' ' 7' ' ' CYS . 17.1 tm0? -56.92 -25.13 56.72 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.155 179.414 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' L' L ' 5' ' ' HIS . . . . . 0.528 ' NE2' ' HG ' ' J' ' 17' ' ' LEU . 34.9 t60 -58.7 -18.05 27.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.427 179.463 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' L' L ' 6' ' ' LEU . . . . . 0.826 HD21 ' H4 ' ' C' ' 22' ' ' IPH . 35.8 mt -127.03 -9.11 5.96 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.28 0.562 . . . . 0.0 109.967 178.461 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' L' L ' 7' ' ' CYS . . . . . 0.822 ' HB3' ' HA ' ' L' ' 4' ' ' GLN . 5.6 t -88.46 -43.7 11.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.121 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' L' L ' 8' ' ' GLY . . . . . 0.529 ' HA2' HD12 ' L' ' 11' ' ' LEU . . . -62.38 -28.6 71.33 Favored Glycine 0 N--CA 1.452 -0.249 0 CA-C-N 116.1 -0.5 . . . . 0.0 113.321 -179.438 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' L' L ' 9' ' ' SER . . . . . 0.864 ' HB2' ' HG2' ' J' ' 13' ' ' GLU . 28.2 p -61.38 -24.83 66.76 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.926 0.393 . . . . 0.0 111.526 -179.263 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' L' L ' 10' ' ' HIS . . . . . 0.478 ' HA ' ' HG3' ' L' ' 13' ' ' GLU . 98.4 m-70 -99.36 -17.18 18.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.964 0.411 . . . . 0.0 110.968 -179.237 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' L' L ' 11' ' ' LEU . . . . . 0.724 HD23 ' H5 ' ' K' ' 22' ' ' IPH . 55.9 mt -71.31 -40.39 70.82 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 177.822 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' L' L ' 12' ' ' VAL . . . . . 0.585 ' HA ' HD12 ' L' ' 15' ' ' LEU . 3.0 m -68.64 -27.5 36.44 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-N 114.989 -1.005 . . . . 0.0 112.003 179.529 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' L' L ' 13' ' ' GLU . . . . . 0.864 ' HG2' ' HB2' ' J' ' 9' ' ' SER . 40.6 mt-10 -59.72 -46.89 87.73 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 121.347 0.594 . . . . 0.0 109.717 179.49 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' L' L ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.12 -26.97 53.82 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.495 179.214 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' L' L ' 15' ' ' LEU . . . . . 0.585 HD12 ' HA ' ' L' ' 12' ' ' VAL . 12.5 mt -55.29 -57.5 11.55 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.915 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' L' L ' 16' ' ' TYR . . . . . 1.056 ' HB3' ' HE2' ' L' ' 24' ' ' PHE . 19.0 p90 -74.27 -27.55 60.8 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 119.787 -0.765 . . . . 0.0 111.235 -179.062 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' L' L ' 17' ' ' LEU . . . . . 0.57 HD11 ' H3 ' ' E' ' 22' ' ' IPH . 7.1 tt -66.54 -51.98 50.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.144 179.697 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' L' L ' 18' ' ' VAL . . . . . 0.441 ' CG1' ' HG ' ' K' ' 13' ' ' LEU . 78.0 t -69.7 -38.36 76.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.172 179.746 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' L' L ' 19' ' ' CYS . . . . . . . . . . . . . 36.3 t -63.95 -23.33 67.3 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.497 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' L' L ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.98 26.38 26.64 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.127 -1.035 . . . . 0.0 111.97 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' L' L ' 21' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 63.25 25.74 14.87 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 179.1 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' L' L ' 22' ' ' ARG . . . . . . . . . . . . . 66.5 mtt180 -70.66 -41.27 72.31 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 177.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' L' L ' 23' ' ' GLY . . . . . 0.745 ' HA3' HG22 ' J' ' 27' ' ' THR . . . 129.47 162.87 11.01 Favored Glycine 0 N--CA 1.441 -1.027 0 CA-C-N 114.152 -1.385 . . . . 0.0 109.984 -178.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' L' L ' 24' ' ' PHE . . . . . 1.056 ' HE2' ' HB3' ' L' ' 16' ' ' TYR . 37.4 p90 -164.62 174.57 10.67 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 117.192 0.496 . . . . 0.0 110.498 -179.652 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' L' L ' 25' ' ' PHE . . . . . . . . . . . . . 5.1 p90 -126.95 139.38 53.09 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 178.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' L' L ' 26' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -131.37 103.19 6.3 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.156 0.503 . . . . 0.0 109.741 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' L' L ' 27' ' ' THR . . . . . 0.706 HG22 ' HA3' ' J' ' 23' ' ' GLY . 11.1 p -121.49 95.91 47.96 Favored Pre-proline 0 C--N 1.318 -0.785 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.946 -179.322 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' L' L ' 28' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -81.14 41.51 1.16 Allowed 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.779 2.319 . . . . 0.0 111.194 179.429 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' L' L ' 29' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -129.55 90.86 3.06 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 114.816 -1.084 . . . . 0.0 109.188 -179.121 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' L' L ' 30' ' ' THR . . . . . . . . . . . . . 15.4 t . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.636 -0.697 . . . . 0.0 109.57 -179.379 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 22' ' ' IPH . . . . . 0.845 ' H4 ' HD21 ' F' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 22' ' ' IPH . . . . . 0.826 ' H4 ' HD21 ' L' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 22' ' ' IPH . . . . . 0.827 ' H4 ' HD21 ' J' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 22' ' ' IPH . . . . . 0.82 ' H4 ' HD21 ' D' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 22' ' ' IPH . . . . . 0.804 ' H4 ' HD21 ' B' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' K' K ' 22' ' ' IPH . . . . . 0.799 ' H4 ' HD21 ' H' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.933 0 N-CA-C 112.118 -0.393 . . . . 0.0 112.118 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 11.4 tt -56.29 -40.24 64.87 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -179.299 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.474 HG11 ' HG3' ' B' ' 4' ' ' GLN . 44.9 t -64.63 -47.6 88.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.061 0.458 . . . . 0.0 110.862 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -67.11 -11.37 57.01 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.538 -179.355 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.548 ' HG2' ' SG ' ' A' ' 11' ' ' CYS . 34.4 tt0 -107.92 -37.91 5.97 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -178.613 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.627 ' HB3' ' H6 ' ' A' ' 22' ' ' IPH . 84.6 m -97.95 -32.2 11.79 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 -177.604 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.45 ' HB2' HD11 ' B' ' 11' ' ' LEU . 41.5 t -78.06 -17.61 56.8 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.664 -0.415 . . . . 0.0 110.605 -179.679 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.91 -59.54 2.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.807 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.453 ' O ' ' HB ' ' A' ' 10' ' ' ILE . 45.4 m -149.01 30.39 0.79 Allowed 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.022 0.378 . . . . 0.0 112.022 -179.228 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.825 HD13 ' HB3' ' F' ' 3' ' ' ASN . 1.8 mp 71.41 142.52 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 CA-C-O 121.545 0.688 . . . . 0.0 112.688 178.792 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.548 ' SG ' ' HG2' ' A' ' 5' ' ' GLN . 97.7 m -104.69 160.6 14.84 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.529 -0.759 . . . . 0.0 109.889 179.114 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.6 m -69.01 158.96 33.73 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.316 179.158 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.8 tt -58.95 -57.34 13.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.751 0.31 . . . . 0.0 110.765 -179.449 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 11.3 p90 -63.32 -20.37 65.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.907 0.384 . . . . 0.0 111.2 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -70.95 -37.2 72.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.054 0.454 . . . . 0.0 109.993 179.285 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.535 ' HB3' HD23 ' B' ' 15' ' ' LEU . 92.1 mt -69.76 -28.67 65.97 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.22 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 77.3 tt0 -66.22 -17.68 64.88 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.991 -179.627 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -74.22 -6.24 46.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.112 0.482 . . . . 0.0 110.611 179.444 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -109.47 -102.41 0.38 Allowed 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 178.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.413 ' HB3' ' H ' ' A' ' 21' ' ' ASN . 35.5 m 51.63 -126.78 2.4 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 112.516 0.562 . . . . 0.0 112.516 178.44 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.413 ' H ' ' HB3' ' A' ' 20' ' ' CYS . 0.7 OUTLIER . . . . . 0 C--O 1.247 0.954 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 -179.708 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 51.4 t80 . . . . . 0 N--CA 1.482 1.156 0 CA-C-O 120.236 0.065 . . . . 0.0 111.068 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 20.5 m 40.39 -125.84 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 123.929 0.891 . . . . 0.0 112.793 -179.512 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' ASN . . . . . 0.824 ' HB3' HD13 ' I' ' 10' ' ' ILE . 20.2 t-20 -164.79 164.08 21.17 Favored 'General case' 0 C--O 1.237 0.409 0 O-C-N 122.372 -0.205 . . . . 0.0 110.467 -178.585 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 4' ' ' GLN . . . . . 0.474 ' HG3' HG11 ' A' ' 3' ' ' VAL . 7.9 tt0 -51.36 -29.52 15.7 Favored 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 123.262 0.625 . . . . 0.0 110.848 179.013 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -53.77 -20.82 6.16 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.303 179.492 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.656 HD21 ' H4 ' ' I' ' 22' ' ' IPH . 21.7 mt -114.45 -39.73 3.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.814 0.34 . . . . 0.0 110.719 179.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 46.8 t -66.76 -44.31 81.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.477 -179.52 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.33 -35.66 91.96 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.848 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' SER . . . . . 0.515 ' O ' HG22 ' B' ' 12' ' ' VAL . 1.7 m -61.14 -33.29 73.16 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -179.437 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -88.82 -6.99 56.98 Favored 'General case' 0 CA--C 1.509 -0.596 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 -178.59 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.574 ' CD2' ' H5 ' ' A' ' 22' ' ' IPH . 45.7 mt -73.02 -17.96 61.39 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 177.803 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.898 HG21 HG21 ' D' ' 12' ' ' VAL . 5.0 m -71.26 -34.97 56.12 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.475 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.661 179.31 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -56.1 -42.33 76.64 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-O 121.843 0.83 . . . . 0.0 108.844 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.15 -50.25 42.36 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 114.483 -1.235 . . . . 0.0 110.823 178.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.535 HD23 ' HB3' ' A' ' 16' ' ' LEU . 91.4 mt -58.18 -56.49 21.36 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.239 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 16' ' ' TYR . . . . . 0.466 ' HB2' ' O ' ' B' ' 12' ' ' VAL . 1.0 OUTLIER -47.16 -44.41 21.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.479 -179.527 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -62.81 -45.83 90.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.139 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 57.8 t -70.75 -37.7 69.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.124 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' CYS . . . . . 0.46 ' HB3' ' HB2' ' B' ' 22' ' ' ARG . 77.6 m -65.19 -28.01 69.09 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.212 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.74 -110.45 3.03 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.707 -0.758 . . . . 0.0 111.881 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -94.11 -3.61 50.77 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.79 0.328 . . . . 0.0 110.998 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' ARG . . . . . 0.46 ' HB2' ' HB3' ' B' ' 19' ' ' CYS . 78.4 mtt180 -82.27 167.55 18.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.052 0.453 . . . . 0.0 110.105 178.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 23' ' ' GLY . . . . . 0.477 ' HA3' ' HD2' ' D' ' 28' ' ' PRO . . . -103.91 -152.73 22.91 Favored Glycine 0 N--CA 1.44 -1.049 0 N-CA-C 109.66 -1.376 . . . . 0.0 109.66 177.104 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 24' ' ' PHE . . . . . 0.784 ' CZ ' ' HB ' ' B' ' 12' ' ' VAL . 3.0 p90 -166.52 141.19 4.27 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.688 0.756 . . . . 0.0 111.589 178.752 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 25' ' ' PHE . . . . . 0.672 ' HA ' ' HA ' ' D' ' 25' ' ' PHE . 3.0 p90 -99.24 90.85 4.71 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 178.066 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.427 ' OH ' HD12 ' B' ' 11' ' ' LEU . 8.1 t80 -83.01 91.74 7.23 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.533 -178.089 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 16.0 p -110.04 94.66 18.41 Favored Pre-proline 0 C--N 1.319 -0.745 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.432 179.604 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' PRO . . . . . 0.472 ' HD2' ' HA3' ' D' ' 23' ' ' GLY . 74.6 Cg_endo -78.27 52.57 4.15 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.775 2.317 . . . . 0.0 112.218 -179.272 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 44.4 tttm -153.55 142.6 21.28 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.481 -0.782 . . . . 0.0 109.431 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 7.4 m . . . . . 0 C--O 1.255 1.367 0 CA-C-O 117.882 -1.056 . . . . 0.0 108.545 178.795 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.192 0 N-CA-C 111.737 -0.545 . . . . 0.0 111.737 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 10.8 tt -59.43 -38.78 76.88 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 C-N-CA 122.749 0.42 . . . . 0.0 111.999 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 3' ' ' VAL . . . . . 0.51 HG11 ' HG3' ' D' ' 4' ' ' GLN . 47.5 t -66.12 -46.7 87.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.221 0.534 . . . . 0.0 110.807 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -67.41 -10.95 56.2 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.663 -0.699 . . . . 0.0 112.153 -179.347 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 5' ' ' GLN . . . . . 0.542 ' HG2' ' SG ' ' C' ' 11' ' ' CYS . 34.3 tt0 -108.69 -37.27 5.95 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -178.457 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 6' ' ' CYS . . . . . 0.601 ' HB3' ' H6 ' ' C' ' 22' ' ' IPH . 86.2 m -98.79 -32.07 11.55 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 113.53 0.937 . . . . 0.0 113.53 -177.462 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 7' ' ' CYS . . . . . 0.451 ' HB2' HD11 ' D' ' 11' ' ' LEU . 41.7 t -78.19 -17.1 57.22 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 122.059 -0.4 . . . . 0.0 110.725 -179.627 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.4 -59.87 2.6 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.558 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 9' ' ' SER . . . . . 0.409 ' O ' ' HB ' ' C' ' 10' ' ' ILE . 46.6 m -149.39 31.79 0.74 Allowed 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.068 0.395 . . . . 0.0 112.068 -179.251 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 10' ' ' ILE . . . . . 0.801 HD13 ' HB3' ' L' ' 3' ' ' ASN . 1.8 mp 70.22 142.28 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 178.726 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 11' ' ' CYS . . . . . 0.542 ' SG ' ' HG2' ' C' ' 5' ' ' GLN . 95.7 m -104.12 160.73 14.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.276 178.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 4.9 m -68.47 159.13 32.29 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.463 179.152 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 6.9 tt -59.86 -56.02 26.9 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.645 0.26 . . . . 0.0 110.842 -179.309 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 11.3 p90 -64.76 -19.74 65.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.804 0.335 . . . . 0.0 111.303 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -71.21 -37.23 72.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.053 -0.522 . . . . 0.0 109.804 179.302 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 16' ' ' LEU . . . . . 0.544 ' HB3' HD23 ' D' ' 15' ' ' LEU . 90.3 mt -69.54 -29.0 66.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.282 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 79.0 tt0 -65.25 -20.3 66.36 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.08 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -71.89 -6.42 41.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.042 0.449 . . . . 0.0 110.82 179.442 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -109.38 -103.36 0.37 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 178.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 40.1 m 52.35 -126.44 2.42 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 178.668 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.247 0.953 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 48.9 t80 . . . . . 0 N--CA 1.477 0.92 0 CA-C-O 120.241 0.067 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 2' ' ' VAL . . . . . 0.417 HG23 ' H ' ' D' ' 3' ' ' ASN . 21.6 m 40.83 -125.41 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 123.975 0.91 . . . . 0.0 112.73 -179.297 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 3' ' ' ASN . . . . . 0.772 ' HB3' HD13 ' G' ' 10' ' ' ILE . 21.9 t-20 -164.99 164.34 20.6 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 120.45 0.167 . . . . 0.0 110.573 -178.682 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 4' ' ' GLN . . . . . 0.51 ' HG3' HG11 ' C' ' 3' ' ' VAL . 8.7 tt0 -51.21 -29.89 15.52 Favored 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 123.246 0.618 . . . . 0.0 110.8 178.826 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 5' ' ' HIS . . . . . . . . . . . . . 70.4 t60 -53.66 -20.73 5.7 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.444 179.665 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 6' ' ' LEU . . . . . 0.665 HD21 ' H4 ' ' G' ' 22' ' ' IPH . 23.0 mt -114.68 -39.93 3.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.765 178.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 7' ' ' CYS . . . . . . . . . . . . . 43.2 t -66.7 -43.82 83.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.408 -179.365 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.83 -35.76 92.43 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 121.073 -0.584 . . . . 0.0 112.941 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 9' ' ' SER . . . . . 0.514 ' O ' HG22 ' D' ' 12' ' ' VAL . 1.7 m -60.78 -33.69 73.36 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.782 0.325 . . . . 0.0 111.833 -179.594 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 10' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -88.33 -7.28 56.95 Favored 'General case' 0 CA--C 1.511 -0.526 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 -178.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 11' ' ' LEU . . . . . 0.577 ' CD2' ' H5 ' ' C' ' 22' ' ' IPH . 48.5 mt -73.16 -18.03 61.31 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 178.009 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 12' ' ' VAL . . . . . 0.898 HG21 HG21 ' B' ' 12' ' ' VAL . 4.8 m -71.06 -34.81 56.53 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.402 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.539 179.216 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -56.2 -42.59 77.41 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-O 121.879 0.847 . . . . 0.0 108.852 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.66 -50.75 40.99 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.356 -1.293 . . . . 0.0 110.748 178.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 15' ' ' LEU . . . . . 0.544 HD23 ' HB3' ' C' ' 16' ' ' LEU . 91.7 mt -57.45 -57.04 14.41 Favored 'General case' 0 C--O 1.225 -0.21 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.352 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 16' ' ' TYR . . . . . 0.459 ' HB2' ' O ' ' D' ' 12' ' ' VAL . 1.0 OUTLIER -46.78 -44.4 19.08 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 123.807 0.843 . . . . 0.0 111.656 -179.507 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -62.59 -46.25 89.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.231 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 58.8 t -70.26 -39.7 77.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 19' ' ' CYS . . . . . 0.457 ' HB3' ' HB2' ' D' ' 22' ' ' ARG . 70.1 m -63.04 -27.82 69.67 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.223 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.93 -110.38 3.03 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.72 -0.752 . . . . 0.0 111.86 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -93.38 -5.01 50.43 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.586 0.231 . . . . 0.0 111.117 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 22' ' ' ARG . . . . . 0.457 ' HB2' ' HB3' ' D' ' 19' ' ' CYS . 78.9 mtt180 -81.15 167.01 20.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.029 0.442 . . . . 0.0 110.351 179.021 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 23' ' ' GLY . . . . . 0.472 ' HA3' ' HD2' ' B' ' 28' ' ' PRO . . . -103.04 -152.54 23.76 Favored Glycine 0 N--CA 1.44 -1.08 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 176.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 24' ' ' PHE . . . . . 0.792 ' CZ ' ' HB ' ' D' ' 12' ' ' VAL . 2.8 p90 -166.5 141.26 4.31 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.602 0.715 . . . . 0.0 111.656 178.658 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 25' ' ' PHE . . . . . 0.672 ' HA ' ' HA ' ' B' ' 25' ' ' PHE . 3.0 p90 -99.13 90.55 4.63 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 107.818 -1.178 . . . . 0.0 107.818 177.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 26' ' ' TYR . . . . . 0.444 ' OH ' HD12 ' D' ' 11' ' ' LEU . 8.0 t80 -82.51 92.32 7.06 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.608 -178.097 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 27' ' ' THR . . . . . . . . . . . . . 17.3 p -110.71 94.47 19.84 Favored Pre-proline 0 C--N 1.319 -0.749 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.796 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 28' ' ' PRO . . . . . 0.477 ' HD2' ' HA3' ' B' ' 23' ' ' GLY . 82.7 Cg_endo -78.16 53.71 4.61 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.843 2.362 . . . . 0.0 112.154 -179.305 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 43.7 tttm -155.35 141.04 18.01 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.573 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 8.1 m . . . . . 0 C--O 1.254 1.307 0 CA-C-O 118.227 -0.892 . . . . 0.0 109.258 179.12 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.594 0 N-CA-C 111.642 -0.583 . . . . 0.0 111.642 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' E' E ' 2' ' ' ILE . . . . . . . . . . . . . 10.9 tt -59.17 -38.18 72.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -178.52 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 3' ' ' VAL . . . . . 0.52 HG11 ' HG3' ' F' ' 4' ' ' GLN . 48.1 t -66.41 -46.9 85.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.067 0.46 . . . . 0.0 110.821 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 4' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -66.17 -13.66 60.57 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.652 -0.703 . . . . 0.0 112.116 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 5' ' ' GLN . . . . . 0.552 ' HG2' ' SG ' ' E' ' 11' ' ' CYS . 35.5 tt0 -106.84 -36.98 6.51 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -178.164 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 6' ' ' CYS . . . . . 0.606 ' HB3' ' H6 ' ' E' ' 22' ' ' IPH . 84.8 m -98.88 -31.48 11.82 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 113.47 0.915 . . . . 0.0 113.47 -177.381 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 7' ' ' CYS . . . . . 0.454 ' HB2' HD11 ' F' ' 11' ' ' LEU . 42.0 t -79.23 -16.13 56.98 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.114 0.483 . . . . 0.0 110.523 -179.598 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.31 -59.17 2.91 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.582 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 9' ' ' SER . . . . . 0.423 ' O ' ' HB ' ' E' ' 10' ' ' ILE . 58.1 m -149.43 30.87 0.75 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -179.51 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 10' ' ' ILE . . . . . 0.784 HD13 ' HB3' ' J' ' 3' ' ' ASN . 1.7 mp 70.82 141.7 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 CA-C-O 121.478 0.656 . . . . 0.0 112.725 178.719 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 11' ' ' CYS . . . . . 0.552 ' SG ' ' HG2' ' E' ' 5' ' ' GLN . 98.0 m -103.49 161.61 13.73 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.225 178.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 12' ' ' SER . . . . . . . . . . . . . 8.0 m -69.3 159.82 32.39 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.225 179.022 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 7.0 tt -60.72 -55.82 28.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.611 0.243 . . . . 0.0 110.768 -179.2 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 12.6 p90 -65.02 -19.55 66.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.858 0.361 . . . . 0.0 111.04 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -71.0 -38.4 72.68 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.905 179.089 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 16' ' ' LEU . . . . . 0.533 ' HB3' HD23 ' F' ' 15' ' ' LEU . 92.6 mt -68.51 -28.54 67.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.249 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 17' ' ' GLU . . . . . . . . . . . . . 75.1 tt0 -65.99 -18.26 65.22 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.049 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 18' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -74.25 -4.19 34.57 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.229 0.538 . . . . 0.0 110.627 179.331 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 19' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -111.43 -103.57 0.39 Allowed 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 178.715 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 20' ' ' CYS . . . . . 0.458 ' HB3' ' H ' ' E' ' 21' ' ' ASN . 37.1 m 52.4 -126.29 2.41 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 178.65 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 21' ' ' ASN . . . . . 0.458 ' H ' ' HB3' ' E' ' 20' ' ' CYS . 0.7 OUTLIER . . . . . 0 C--O 1.247 0.948 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 -179.643 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 1' ' ' PHE . . . . . . . . . . . . . 50.0 t80 . . . . . 0 N--CA 1.482 1.149 0 CA-C-O 120.547 0.213 . . . . 0.0 110.591 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' F' F ' 2' ' ' VAL . . . . . 0.409 HG23 ' H ' ' F' ' 3' ' ' ASN . 21.7 m 39.8 -125.63 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 C-N-CA 123.919 0.888 . . . . 0.0 112.9 -179.496 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 3' ' ' ASN . . . . . 0.825 ' HB3' HD13 ' A' ' 10' ' ' ILE . 20.2 t-20 -164.52 164.13 21.85 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 120.5 0.19 . . . . 0.0 110.636 -178.778 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 4' ' ' GLN . . . . . 0.52 ' HG3' HG11 ' E' ' 3' ' ' VAL . 7.8 tt0 -51.42 -29.12 14.88 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 123.286 0.634 . . . . 0.0 110.883 178.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 5' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -54.88 -19.96 7.75 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.3 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 6' ' ' LEU . . . . . 0.683 HD21 ' H4 ' ' A' ' 22' ' ' IPH . 22.4 mt -114.79 -39.9 3.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.877 0.37 . . . . 0.0 110.799 178.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 7' ' ' CYS . . . . . . . . . . . . . 42.4 t -67.16 -43.51 82.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.369 -179.363 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.74 -35.85 92.5 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.921 -0.657 . . . . 0.0 113.036 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 9' ' ' SER . . . . . 0.53 ' O ' HG22 ' F' ' 12' ' ' VAL . 1.5 m -60.79 -33.63 73.27 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.898 0.38 . . . . 0.0 111.734 -179.548 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 10' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -88.28 -7.12 57.26 Favored 'General case' 0 CA--C 1.512 -0.517 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 -178.534 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 11' ' ' LEU . . . . . 0.577 ' CD2' ' H5 ' ' E' ' 22' ' ' IPH . 45.0 mt -73.59 -17.57 61.16 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 177.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 12' ' ' VAL . . . . . 0.877 HG21 HG21 ' H' ' 12' ' ' VAL . 5.0 m -71.48 -34.89 54.71 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.438 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.631 179.222 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 13' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -56.05 -42.59 76.83 Favored 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.78 -50.4 43.55 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.505 -1.225 . . . . 0.0 110.864 178.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 15' ' ' LEU . . . . . 0.533 HD23 ' HB3' ' E' ' 16' ' ' LEU . 90.9 mt -57.98 -57.05 14.53 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.194 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 16' ' ' TYR . . . . . 0.465 ' HB2' ' O ' ' F' ' 12' ' ' VAL . 1.0 OUTLIER -46.59 -44.52 18.18 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 123.789 0.835 . . . . 0.0 111.633 -179.562 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -62.78 -45.86 90.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.255 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 62.4 t -70.71 -38.13 71.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.019 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 19' ' ' CYS . . . . . 0.447 ' HB3' ' HB2' ' F' ' 22' ' ' ARG . 79.6 m -64.8 -27.81 69.14 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.149 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.94 -110.17 2.96 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.002 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 21' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -94.82 -2.73 50.26 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.788 0.328 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 22' ' ' ARG . . . . . 0.447 ' HB2' ' HB3' ' F' ' 19' ' ' CYS . 76.9 mtt180 -83.08 167.58 17.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.228 -0.442 . . . . 0.0 109.931 179.027 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 23' ' ' GLY . . . . . 0.463 ' HA3' ' HD2' ' H' ' 28' ' ' PRO . . . -104.13 -152.94 22.79 Favored Glycine 0 N--CA 1.442 -0.902 0 N-CA-C 109.602 -1.399 . . . . 0.0 109.602 177.062 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 24' ' ' PHE . . . . . 0.781 ' CZ ' ' HB ' ' F' ' 12' ' ' VAL . 2.8 p90 -166.07 141.13 4.65 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.625 0.726 . . . . 0.0 111.713 178.761 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 25' ' ' PHE . . . . . 0.671 ' HA ' ' HA ' ' H' ' 25' ' ' PHE . 2.8 p90 -99.2 90.41 4.57 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 107.702 -1.221 . . . . 0.0 107.702 177.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 26' ' ' TYR . . . . . 0.418 ' HD1' ' HD3' ' F' ' 28' ' ' PRO . 7.9 t80 -82.51 92.75 7.13 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.454 -178.217 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 27' ' ' THR . . . . . . . . . . . . . 18.0 p -111.41 94.46 22.57 Favored Pre-proline 0 C--N 1.319 -0.733 0 CA-C-N 115.177 -0.92 . . . . 0.0 109.56 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 28' ' ' PRO . . . . . 0.486 ' HD2' ' HA3' ' H' ' 23' ' ' GLY . 75.5 Cg_endo -77.83 50.8 3.38 Favored 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 122.928 2.418 . . . . 0.0 112.398 -179.018 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 29' ' ' LYS . . . . . . . . . . . . . 42.8 tttm -153.25 139.0 17.93 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.066 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 30' ' ' THR . . . . . . . . . . . . . 10.2 m . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.199 -0.905 . . . . 0.0 109.432 179.234 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' G' G ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.733 0 N-CA-C 111.737 -0.545 . . . . 0.0 111.737 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' G' G ' 2' ' ' ILE . . . . . . . . . . . . . 10.8 tt -61.36 -37.86 78.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 111.865 0.321 . . . . 0.0 111.865 -178.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 3' ' ' VAL . . . . . 0.489 HG11 ' HG3' ' H' ' 4' ' ' GLN . 47.1 t -66.67 -47.52 82.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.983 0.421 . . . . 0.0 110.535 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 4' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -65.68 -13.43 59.21 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.707 -0.678 . . . . 0.0 112.043 -179.612 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 5' ' ' GLN . . . . . 0.553 ' HG2' ' SG ' ' G' ' 11' ' ' CYS . 35.3 tt0 -106.51 -37.65 6.41 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -178.275 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 6' ' ' CYS . . . . . 0.627 ' HB3' ' H6 ' ' G' ' 22' ' ' IPH . 86.1 m -98.64 -31.4 11.95 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 113.512 0.931 . . . . 0.0 113.512 -177.32 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 7' ' ' CYS . . . . . 0.459 ' HB2' HD11 ' H' ' 11' ' ' LEU . 41.5 t -78.82 -16.47 57.07 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.512 -179.769 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.55 -60.23 2.38 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.631 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 9' ' ' SER . . . . . 0.445 ' O ' ' HB ' ' G' ' 10' ' ' ILE . 66.9 m -148.55 30.43 0.83 Allowed 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -179.51 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 10' ' ' ILE . . . . . 0.772 HD13 ' HB3' ' D' ' 3' ' ' ASN . 1.7 mp 71.51 141.9 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 CA-C-O 121.644 0.735 . . . . 0.0 112.908 178.706 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 11' ' ' CYS . . . . . 0.553 ' SG ' ' HG2' ' G' ' 5' ' ' GLN . 98.8 m -103.69 161.97 13.47 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.137 179.151 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 12' ' ' SER . . . . . . . . . . . . . 8.4 m -69.3 160.5 31.12 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.071 179.095 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 13' ' ' LEU . . . . . . . . . . . . . 7.0 tt -61.12 -56.26 22.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.729 0.3 . . . . 0.0 110.571 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 11.0 p90 -64.42 -19.48 65.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.89 0.376 . . . . 0.0 111.181 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -71.72 -36.64 70.57 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.106 0.479 . . . . 0.0 110.026 179.147 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 16' ' ' LEU . . . . . 0.535 ' HB3' HD23 ' H' ' 15' ' ' LEU . 91.3 mt -70.08 -28.38 65.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.075 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 17' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -66.12 -18.43 65.34 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 120.994 0.426 . . . . 0.0 111.136 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 18' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -73.58 -5.05 37.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.123 0.487 . . . . 0.0 110.672 179.329 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 19' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -110.62 -103.53 0.39 Allowed 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 178.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 20' ' ' CYS . . . . . 0.425 ' HB3' ' H ' ' G' ' 21' ' ' ASN . 36.3 m 52.33 -126.67 2.43 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 178.466 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 21' ' ' ASN . . . . . 0.425 ' H ' ' HB3' ' G' ' 20' ' ' CYS . 0.6 OUTLIER . . . . . 0 C--O 1.242 0.685 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 -179.481 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' H' H ' 1' ' ' PHE . . . . . . . . . . . . . 50.3 t80 . . . . . 0 N--CA 1.481 1.12 0 CA-C-O 120.179 0.037 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' H' H ' 2' ' ' VAL . . . . . . . . . . . . . 21.8 m 40.43 -125.62 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 123.978 0.911 . . . . 0.0 112.904 -179.496 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 3' ' ' ASN . . . . . 0.788 ' HB3' HD13 ' K' ' 10' ' ' ILE . 19.6 t-20 -164.77 164.21 21.18 Favored 'General case' 0 C--O 1.236 0.35 0 O-C-N 122.414 -0.178 . . . . 0.0 110.651 -178.771 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' H' H ' 4' ' ' GLN . . . . . 0.489 ' HG3' HG11 ' G' ' 3' ' ' VAL . 8.3 tt0 -51.29 -29.69 15.64 Favored 'General case' 0 N--CA 1.462 0.139 0 C-N-CA 123.283 0.633 . . . . 0.0 110.89 178.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' H' H ' 5' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -54.05 -20.31 6.23 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.575 179.663 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 6' ' ' LEU . . . . . 0.677 HD21 ' H4 ' ' K' ' 22' ' ' IPH . 22.7 mt -114.63 -40.4 3.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.556 178.786 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' H' H ' 7' ' ' CYS . . . . . . . . . . . . . 46.6 t -66.15 -44.35 84.39 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.741 0.305 . . . . 0.0 111.417 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.27 -35.84 92.18 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 121.048 -0.596 . . . . 0.0 113.046 -179.7 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 9' ' ' SER . . . . . 0.512 ' O ' HG22 ' H' ' 12' ' ' VAL . 1.6 m -60.97 -33.48 73.28 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.797 0.332 . . . . 0.0 111.774 -179.619 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' H' H ' 10' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -88.76 -7.02 57.0 Favored 'General case' 0 CA--C 1.511 -0.549 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -178.59 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 11' ' ' LEU . . . . . 0.577 ' CD2' ' H5 ' ' G' ' 22' ' ' IPH . 46.5 mt -73.06 -17.97 61.37 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 177.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' H' H ' 12' ' ' VAL . . . . . 0.877 HG21 HG21 ' F' ' 12' ' ' VAL . 5.0 m -71.25 -34.82 55.64 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.398 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.7 179.299 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' H' H ' 13' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -56.2 -42.3 76.95 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-O 121.943 0.878 . . . . 0.0 108.868 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.13 -50.59 39.06 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 114.408 -1.269 . . . . 0.0 110.896 178.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 15' ' ' LEU . . . . . 0.535 HD23 ' HB3' ' G' ' 16' ' ' LEU . 89.4 mt -57.47 -56.81 17.02 Favored 'General case' 0 C--O 1.225 -0.186 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.24 179.766 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' H' H ' 16' ' ' TYR . . . . . 0.475 ' HB2' ' O ' ' H' ' 12' ' ' VAL . 1.0 OUTLIER -47.24 -43.77 22.17 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 123.768 0.827 . . . . 0.0 111.745 -179.372 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -63.4 -45.65 90.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.228 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 58.2 t -70.57 -38.68 74.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.136 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 19' ' ' CYS . . . . . 0.464 ' HB3' ' HB2' ' H' ' 22' ' ' ARG . 69.0 m -64.7 -26.01 68.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.241 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' H' H ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.0 -108.45 2.53 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.521 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 21' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -95.78 -4.57 43.68 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.728 0.299 . . . . 0.0 110.869 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 22' ' ' ARG . . . . . 0.464 ' HB2' ' HB3' ' H' ' 19' ' ' CYS . 78.5 mtt180 -81.5 167.57 19.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.163 179.16 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' H' H ' 23' ' ' GLY . . . . . 0.486 ' HA3' ' HD2' ' F' ' 28' ' ' PRO . . . -104.44 -153.28 22.59 Favored Glycine 0 N--CA 1.442 -0.963 0 N-CA-C 109.649 -1.381 . . . . 0.0 109.649 177.315 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' H' H ' 24' ' ' PHE . . . . . 0.78 ' CZ ' ' HB ' ' H' ' 12' ' ' VAL . 2.9 p90 -165.78 141.34 4.98 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 121.692 0.758 . . . . 0.0 111.624 178.751 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' H' H ' 25' ' ' PHE . . . . . 0.671 ' HA ' ' HA ' ' F' ' 25' ' ' PHE . 2.3 p90 -99.36 90.46 4.55 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 178.063 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' H' H ' 26' ' ' TYR . . . . . 0.437 ' OH ' HD12 ' H' ' 11' ' ' LEU . 8.1 t80 -82.38 92.54 7.02 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.517 -178.05 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' H' H ' 27' ' ' THR . . . . . . . . . . . . . 19.0 p -110.9 95.1 22.48 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.615 179.539 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 28' ' ' PRO . . . . . 0.463 ' HD2' ' HA3' ' F' ' 23' ' ' GLY . 76.6 Cg_endo -78.41 52.18 4.03 Favored 'Trans proline' 0 N--CA 1.464 -0.216 0 C-N-CA 122.795 2.33 . . . . 0.0 112.285 -179.351 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' H' H ' 29' ' ' LYS . . . . . . . . . . . . . 44.5 tttm -153.47 143.52 22.15 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.282 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 30' ' ' THR . . . . . . . . . . . . . 6.4 m . . . . . 0 C--O 1.253 1.247 0 CA-C-O 118.114 -0.946 . . . . 0.0 108.891 178.93 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' I' I ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.998 0 N-CA-C 111.803 -0.519 . . . . 0.0 111.803 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' I' I ' 2' ' ' ILE . . . . . . . . . . . . . 10.9 tt -61.49 -38.24 79.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.886 0.374 . . . . 0.0 111.935 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 3' ' ' VAL . . . . . 0.488 HG11 ' HG3' ' J' ' 4' ' ' GLN . 46.3 t -66.42 -48.1 81.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.05 0.452 . . . . 0.0 110.468 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' I' I ' 4' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -65.62 -12.76 56.13 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.916 -0.583 . . . . 0.0 112.237 -179.671 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 5' ' ' GLN . . . . . 0.544 ' HG2' ' SG ' ' I' ' 11' ' ' CYS . 35.0 tt0 -107.03 -37.35 6.34 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -178.273 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' I' I ' 6' ' ' CYS . . . . . 0.617 ' HB3' ' H6 ' ' I' ' 22' ' ' IPH . 81.5 m -98.36 -32.63 11.42 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 -177.465 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' I' I ' 7' ' ' CYS . . . . . 0.431 ' HB2' HD11 ' J' ' 11' ' ' LEU . 43.2 t -77.9 -17.32 57.43 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.944 0.402 . . . . 0.0 110.618 -179.624 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' I' I ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.48 -58.67 3.46 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.782 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' I' I ' 9' ' ' SER . . . . . 0.433 ' O ' ' HB ' ' I' ' 10' ' ' ILE . 49.5 m -149.98 30.55 0.71 Allowed 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -179.378 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' I' I ' 10' ' ' ILE . . . . . 0.824 HD13 ' HB3' ' B' ' 3' ' ' ASN . 1.7 mp 70.75 141.16 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 CA-C-O 121.631 0.729 . . . . 0.0 112.888 178.794 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' I' I ' 11' ' ' CYS . . . . . 0.544 ' SG ' ' HG2' ' I' ' 5' ' ' GLN . 98.2 m -102.89 161.2 13.94 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.466 179.064 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' I' I ' 12' ' ' SER . . . . . . . . . . . . . 6.5 m -68.55 159.46 31.83 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.252 178.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 13' ' ' LEU . . . . . . . . . . . . . 7.1 tt -60.45 -55.97 27.08 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.841 0.353 . . . . 0.0 110.699 -179.656 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 12.2 p90 -64.89 -19.95 66.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.912 0.387 . . . . 0.0 110.935 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -70.87 -37.38 73.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.998 179.118 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 16' ' ' LEU . . . . . 0.53 ' HB3' HD23 ' J' ' 15' ' ' LEU . 91.9 mt -69.78 -28.01 65.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.183 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' I' I ' 17' ' ' GLU . . . . . . . . . . . . . 75.0 tt0 -66.59 -17.58 64.9 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.027 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 18' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -74.5 -5.01 40.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.129 0.49 . . . . 0.0 110.501 179.221 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 19' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -111.03 -103.62 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 178.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 20' ' ' CYS . . . . . . . . . . . . . 40.1 m 52.75 -126.35 2.43 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 178.608 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.246 0.917 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 -179.589 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 1' ' ' PHE . . . . . . . . . . . . . 50.0 t80 . . . . . 0 N--CA 1.48 1.044 0 CA-C-O 120.27 0.081 . . . . 0.0 111.071 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' J' J ' 2' ' ' VAL . . . . . 0.403 HG23 ' H ' ' J' ' 3' ' ' ASN . 19.7 m 40.21 -125.72 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 123.969 0.908 . . . . 0.0 112.552 -179.399 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' J' J ' 3' ' ' ASN . . . . . 0.784 ' HB3' HD13 ' E' ' 10' ' ' ILE . 19.5 t-20 -164.53 164.1 21.83 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 110.53 -0.174 . . . . 0.0 110.53 -178.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' J' J ' 4' ' ' GLN . . . . . 0.488 ' HG3' HG11 ' I' ' 3' ' ' VAL . 8.6 tt0 -50.47 -30.35 12.49 Favored 'General case' 0 N--CA 1.463 0.201 0 C-N-CA 123.464 0.706 . . . . 0.0 110.824 178.835 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' J' J ' 5' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -53.75 -20.55 5.73 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.424 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 6' ' ' LEU . . . . . 0.67 HD21 ' H4 ' ' E' ' 22' ' ' IPH . 22.9 mt -114.44 -40.52 3.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.684 178.725 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' J' J ' 7' ' ' CYS . . . . . . . . . . . . . 42.5 t -66.15 -43.77 86.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.614 -0.267 . . . . 0.0 111.571 -179.409 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.92 -35.53 92.16 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.978 -0.63 . . . . 0.0 112.946 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 9' ' ' SER . . . . . 0.515 ' O ' HG22 ' J' ' 12' ' ' VAL . 1.7 m -61.03 -33.93 74.05 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.768 0.318 . . . . 0.0 111.676 -179.462 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' J' J ' 10' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -88.14 -7.06 57.48 Favored 'General case' 0 CA--C 1.511 -0.556 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -178.624 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 11' ' ' LEU . . . . . 0.573 ' CD2' ' H5 ' ' I' ' 22' ' ' IPH . 46.2 mt -72.93 -18.16 61.42 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 177.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' J' J ' 12' ' ' VAL . . . . . 0.876 HG21 HG21 ' L' ' 12' ' ' VAL . 4.9 m -70.99 -35.34 58.94 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.492 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.794 179.145 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' J' J ' 13' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -55.68 -42.47 75.18 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.96 -50.73 38.91 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.403 -1.271 . . . . 0.0 110.958 178.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 15' ' ' LEU . . . . . 0.53 HD23 ' HB3' ' I' ' 16' ' ' LEU . 91.1 mt -57.55 -56.54 20.6 Favored 'General case' 0 C--O 1.224 -0.27 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.267 179.705 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' J' J ' 16' ' ' TYR . . . . . 0.458 ' HB2' ' O ' ' J' ' 12' ' ' VAL . 1.1 t80 -47.1 -44.22 21.1 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 123.738 0.815 . . . . 0.0 111.729 -179.444 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -63.52 -44.89 92.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.249 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 57.8 t -71.68 -37.19 62.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.873 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 19' ' ' CYS . . . . . 0.452 ' HB3' ' HB2' ' J' ' 22' ' ' ARG . 76.4 m -66.09 -25.86 67.21 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.281 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' J' J ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.87 -108.99 2.66 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 121.002 -0.618 . . . . 0.0 112.374 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 21' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -95.42 -3.61 46.68 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.849 0.357 . . . . 0.0 110.894 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 22' ' ' ARG . . . . . 0.452 ' HB2' ' HB3' ' J' ' 19' ' ' CYS . 77.8 mtt180 -82.16 167.78 18.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.129 0.49 . . . . 0.0 109.976 179.06 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' J' J ' 23' ' ' GLY . . . . . 0.46 ' HA3' ' HD2' ' L' ' 28' ' ' PRO . . . -104.07 -153.05 22.92 Favored Glycine 0 N--CA 1.44 -1.056 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 177.015 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' J' J ' 24' ' ' PHE . . . . . 0.771 ' CZ ' ' HB ' ' J' ' 12' ' ' VAL . 2.9 p90 -166.15 141.04 4.56 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.593 0.711 . . . . 0.0 111.503 178.742 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' J' J ' 25' ' ' PHE . . . . . 0.658 ' HA ' ' HA ' ' L' ' 25' ' ' PHE . 2.8 p90 -99.14 90.21 4.51 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 178.128 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' J' J ' 26' ' ' TYR . . . . . 0.442 ' OH ' HD12 ' J' ' 11' ' ' LEU . 8.0 t80 -82.34 92.6 7.01 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.564 -178.107 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' J' J ' 27' ' ' THR . . . . . . . . . . . . . 16.7 p -110.9 93.99 18.95 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.744 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 28' ' ' PRO . . . . . 0.498 ' HD2' ' HA3' ' L' ' 23' ' ' GLY . 82.4 Cg_endo -77.76 52.71 4.08 Favored 'Trans proline' 0 C--O 1.235 0.365 0 C-N-CA 122.758 2.306 . . . . 0.0 112.296 -179.37 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' J' J ' 29' ' ' LYS . . . . . . . . . . . . . 43.9 tttm -154.09 142.58 20.7 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.509 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 30' ' ' THR . . . . . . . . . . . . . 14.2 m . . . . . 0 C--O 1.253 1.27 0 CA-C-O 118.126 -0.94 . . . . 0.0 109.358 179.33 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.582 0 N-CA-C 112.615 -0.194 . . . . 0.0 112.615 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' K' K ' 2' ' ' ILE . . . . . . . . . . . . . 11.0 tt -60.69 -38.54 78.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.729 0.299 . . . . 0.0 111.607 -178.624 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' K' K ' 3' ' ' VAL . . . . . 0.502 HG11 ' HG3' ' L' ' 4' ' ' GLN . 46.3 t -66.06 -47.71 84.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.02 0.438 . . . . 0.0 110.836 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' K' K ' 4' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -65.93 -13.35 59.58 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.758 -0.655 . . . . 0.0 112.1 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' K' K ' 5' ' ' GLN . . . . . 0.548 ' HG2' ' SG ' ' K' ' 11' ' ' CYS . 34.3 tt0 -106.33 -37.95 6.38 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -178.412 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' K' K ' 6' ' ' CYS . . . . . 0.62 ' HB3' ' H6 ' ' K' ' 22' ' ' IPH . 83.5 m -97.71 -33.24 11.37 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 113.42 0.896 . . . . 0.0 113.42 -177.421 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' K' K ' 7' ' ' CYS . . . . . 0.433 ' HB2' HD11 ' L' ' 11' ' ' LEU . 43.2 t -77.09 -18.01 58.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 121.984 -0.447 . . . . 0.0 110.614 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' K' K ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -69.32 -58.89 3.43 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' K' K ' 9' ' ' SER . . . . . 0.419 ' O ' ' HB ' ' K' ' 10' ' ' ILE . 50.1 m -150.32 31.74 0.66 Allowed 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -179.364 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' K' K ' 10' ' ' ILE . . . . . 0.788 HD13 ' HB3' ' H' ' 3' ' ' ASN . 1.7 mp 70.51 143.17 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 CA-C-O 121.582 0.706 . . . . 0.0 112.821 178.579 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' K' K ' 11' ' ' CYS . . . . . 0.548 ' SG ' ' HG2' ' K' ' 5' ' ' GLN . 95.9 m -104.82 162.41 13.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.917 179.269 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' K' K ' 12' ' ' SER . . . . . . . . . . . . . 6.5 m -70.35 159.26 34.46 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.234 179.11 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' K' K ' 13' ' ' LEU . . . . . . . . . . . . . 7.0 tt -60.01 -55.13 37.74 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.676 0.274 . . . . 0.0 110.867 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 11.3 p90 -65.88 -19.02 65.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.97 0.415 . . . . 0.0 111.153 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -71.74 -36.55 70.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.164 0.506 . . . . 0.0 109.91 179.125 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' K' K ' 16' ' ' LEU . . . . . 0.51 ' HB3' HD23 ' L' ' 15' ' ' LEU . 92.7 mt -70.18 -28.36 65.26 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.119 179.753 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' K' K ' 17' ' ' GLU . . . . . . . . . . . . . 76.4 tt0 -66.15 -18.38 65.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.173 -179.677 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' K' K ' 18' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -73.95 -5.89 43.99 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.15 0.5 . . . . 0.0 110.71 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' K' K ' 19' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -109.72 -102.73 0.38 Allowed 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 178.687 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' K' K ' 20' ' ' CYS . . . . . 0.447 ' HB3' ' H ' ' K' ' 21' ' ' ASN . 36.3 m 51.9 -126.35 2.39 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 178.571 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' K' K ' 21' ' ' ASN . . . . . 0.447 ' H ' ' HB3' ' K' ' 20' ' ' CYS . 0.7 OUTLIER . . . . . 0 C--O 1.246 0.893 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 -179.391 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' L' L ' 1' ' ' PHE . . . . . . . . . . . . . 50.3 t80 . . . . . 0 N--CA 1.481 1.083 0 N-CA-C 111.254 0.094 . . . . 0.0 111.254 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' L' L ' 2' ' ' VAL . . . . . . . . . . . . . 20.2 m 40.97 -126.29 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 124.089 0.956 . . . . 0.0 112.595 -179.222 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' L' L ' 3' ' ' ASN . . . . . 0.801 ' HB3' HD13 ' C' ' 10' ' ' ILE . 20.4 t-20 -163.98 164.64 23.09 Favored 'General case' 0 C--O 1.237 0.396 0 O-C-N 122.269 -0.269 . . . . 0.0 110.671 -178.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' L' L ' 4' ' ' GLN . . . . . 0.502 ' HG3' HG11 ' K' ' 3' ' ' VAL . 8.7 tt0 -51.33 -29.71 16.08 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 123.312 0.645 . . . . 0.0 110.955 178.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' L' L ' 5' ' ' HIS . . . . . . . . . . . . . 70.9 t60 -54.3 -20.18 6.68 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.448 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' L' L ' 6' ' ' LEU . . . . . 0.667 HD21 ' H4 ' ' C' ' 22' ' ' IPH . 22.9 mt -114.63 -40.39 3.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.618 178.785 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' L' L ' 7' ' ' CYS . . . . . . . . . . . . . 43.5 t -66.42 -44.14 83.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.594 -179.38 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' L' L ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.47 -35.67 92.06 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 121.026 -0.607 . . . . 0.0 113.02 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' L' L ' 9' ' ' SER . . . . . 0.516 ' O ' HG22 ' L' ' 12' ' ' VAL . 1.6 m -61.01 -33.24 72.95 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.887 0.375 . . . . 0.0 111.834 -179.577 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' L' L ' 10' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -88.57 -7.59 56.18 Favored 'General case' 0 CA--C 1.51 -0.566 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -178.617 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' L' L ' 11' ' ' LEU . . . . . 0.587 ' CD2' ' H5 ' ' K' ' 22' ' ' IPH . 45.4 mt -72.85 -17.84 61.5 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 177.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' L' L ' 12' ' ' VAL . . . . . 0.876 HG21 HG21 ' J' ' 12' ' ' VAL . 5.0 m -71.34 -34.94 55.58 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.585 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.637 179.135 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' L' L ' 13' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -55.98 -42.77 76.81 Favored 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' L' L ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.48 -50.72 42.71 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.444 -1.253 . . . . 0.0 110.849 178.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' L' L ' 15' ' ' LEU . . . . . 0.51 HD23 ' HB3' ' K' ' 16' ' ' LEU . 90.4 mt -57.72 -56.65 19.22 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.294 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' L' L ' 16' ' ' TYR . . . . . 0.459 ' HB2' ' O ' ' L' ' 12' ' ' VAL . 1.0 OUTLIER -47.32 -43.16 22.44 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.667 -179.476 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -63.93 -45.65 88.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.249 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 57.6 t -70.7 -38.03 71.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.187 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' L' L ' 19' ' ' CYS . . . . . 0.454 ' HB3' ' HB2' ' L' ' 22' ' ' ARG . 81.3 m -64.83 -27.32 68.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.227 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' L' L ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.37 -108.82 2.64 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.301 179.715 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' L' L ' 21' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -96.2 -3.22 44.71 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.987 0.422 . . . . 0.0 110.839 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' L' L ' 22' ' ' ARG . . . . . 0.454 ' HB2' ' HB3' ' L' ' 19' ' ' CYS . 78.3 mtt180 -82.32 167.14 18.87 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.088 178.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' L' L ' 23' ' ' GLY . . . . . 0.498 ' HA3' ' HD2' ' J' ' 28' ' ' PRO . . . -103.79 -153.43 23.38 Favored Glycine 0 N--CA 1.441 -0.969 0 N-CA-C 109.718 -1.353 . . . . 0.0 109.718 177.053 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' L' L ' 24' ' ' PHE . . . . . 0.791 ' CZ ' ' HB ' ' L' ' 12' ' ' VAL . 2.9 p90 -165.78 141.52 5.04 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.696 0.76 . . . . 0.0 111.683 178.811 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' L' L ' 25' ' ' PHE . . . . . 0.658 ' HA ' ' HA ' ' J' ' 25' ' ' PHE . 2.6 p90 -99.36 90.42 4.53 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 177.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' L' L ' 26' ' ' TYR . . . . . 0.431 ' OH ' HD12 ' L' ' 11' ' ' LEU . 8.4 t80 -82.43 92.45 7.03 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.584 -178.124 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' L' L ' 27' ' ' THR . . . . . . . . . . . . . 18.1 p -110.73 94.98 21.41 Favored Pre-proline 0 C--N 1.32 -0.679 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.435 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' L' L ' 28' ' ' PRO . . . . . 0.46 ' HD2' ' HA3' ' J' ' 23' ' ' GLY . 71.7 Cg_endo -77.99 50.14 3.2 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.831 2.354 . . . . 0.0 112.389 -179.167 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' L' L ' 29' ' ' LYS . . . . . . . . . . . . . 45.5 tttm -151.51 142.34 22.9 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.64 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' L' L ' 30' ' ' THR . . . . . . . . . . . . . 8.9 m . . . . . 0 C--O 1.253 1.279 0 CA-C-O 118.222 -0.894 . . . . 0.0 109.071 179.06 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 22' ' ' IPH . . . . . 0.683 ' H4 ' HD21 ' F' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 22' ' ' IPH . . . . . 0.667 ' H4 ' HD21 ' L' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 22' ' ' IPH . . . . . 0.67 ' H4 ' HD21 ' J' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 22' ' ' IPH . . . . . 0.665 ' H4 ' HD21 ' D' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 22' ' ' IPH . . . . . 0.656 ' H4 ' HD21 ' B' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' K' K ' 22' ' ' IPH . . . . . 0.677 ' H4 ' HD21 ' H' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.521 0 N-CA-C 111.674 -0.57 . . . . 0.0 111.674 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.74 HD11 HD11 ' B' ' 15' ' ' LEU . 7.1 tt -160.66 -45.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 O-C-N 122.609 -0.347 . . . . 0.0 111.105 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.636 HG21 ' HA ' ' B' ' 28' ' ' PRO . 21.1 t -51.91 -49.22 38.28 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.482 -179.103 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.431 ' O ' HG22 ' A' ' 8' ' ' THR . 31.3 tt0 -99.06 -45.76 5.82 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 120.549 -0.46 . . . . 0.0 109.97 179.298 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -44.85 -52.18 8.81 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.948 0.721 . . . . 0.0 112.948 -179.607 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.538 ' O ' ' HA ' ' A' ' 10' ' ' ILE . 81.6 m -81.26 -14.85 56.99 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -178.101 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.0 t -98.03 -22.7 16.12 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 120.253 -0.579 . . . . 0.0 111.326 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.523 HG23 ' H ' ' A' ' 9' ' ' SER . 11.1 t -80.27 -66.84 0.83 Allowed 'General case' 0 CA--C 1.535 0.379 0 O-C-N 121.725 -0.609 . . . . 0.0 111.343 -179.151 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.576 ' O ' ' HB ' ' A' ' 10' ' ' ILE . 29.6 m -105.53 -4.98 20.61 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 117.713 0.233 . . . . 0.0 111.145 -179.545 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.925 HG23 ' H2 ' ' A' ' 22' ' ' IPH . 34.6 mt 77.03 138.09 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 CA-C-O 121.505 0.669 . . . . 0.0 112.334 179.153 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 77.5 m -101.08 141.29 34.18 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.038 179.202 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.1 m -71.55 165.82 23.09 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 178.548 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.403 HD11 HD11 ' G' ' 13' ' ' LEU . 7.5 tt -54.38 -46.38 73.05 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.685 0.278 . . . . 0.0 110.762 -179.581 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 13.6 m-30 -63.43 -31.95 73.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.776 0.322 . . . . 0.0 111.222 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -71.37 -39.15 71.41 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.141 179.22 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.535 ' HB3' HD23 ' B' ' 15' ' ' LEU . 96.1 mt -64.42 -32.06 73.52 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.265 179.691 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -62.35 -19.44 63.35 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.817 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -74.9 -12.9 60.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.787 0.327 . . . . 0.0 110.941 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -120.05 30.15 7.15 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.468 0.652 . . . . 0.0 110.124 -179.313 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.7 t -102.91 177.21 4.91 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.321 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 49.0 t30 . . . . . 0 C--O 1.251 1.18 0 CA-C-O 118.437 -0.792 . . . . 0.0 110.18 179.656 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' PHE . . . . . 0.442 ' N ' ' HA ' ' I' ' 8' ' ' THR . 17.3 p90 . . . . . 0 N--CA 1.481 1.107 0 N-CA-C 111.562 0.208 . . . . 0.0 111.562 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 21.6 t -78.23 74.63 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.095 0 CA-C-O 121.657 0.742 . . . . 0.0 109.566 179.541 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' ASN . . . . . 0.806 ' HB3' ' HB3' ' B' ' 7' ' ' CYS . 77.1 m-20 -76.46 0.26 20.43 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.683 -178.69 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 4' ' ' GLN . . . . . 0.402 ' HB3' HG12 ' A' ' 3' ' ' VAL . 33.2 mt-30 -66.52 -36.01 81.66 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.16 0.505 . . . . 0.0 110.415 179.403 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 5' ' ' HIS . . . . . 0.745 ' HB3' HD13 ' I' ' 10' ' ' ILE . 72.9 t60 -97.87 -7.82 29.52 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.754 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.568 ' HB2' ' HA ' ' B' ' 3' ' ' ASN . 77.0 mt -101.34 -76.42 0.57 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.887 179.405 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 7' ' ' CYS . . . . . 0.806 ' HB3' ' HB3' ' B' ' 3' ' ' ASN . 0.0 OUTLIER -64.42 -33.58 76.2 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.292 178.764 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 8' ' ' GLY . . . . . 0.716 ' HA2' ' HG ' ' B' ' 11' ' ' LEU . . . -55.78 -30.99 57.64 Favored Glycine 0 C--N 1.336 0.55 0 C-N-CA 121.167 -0.54 . . . . 0.0 112.269 178.719 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 9' ' ' SER . . . . . 0.534 ' HB3' ' HG3' ' D' ' 13' ' ' GLU . 13.4 m -69.34 -7.18 34.97 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.002 0.43 . . . . 0.0 111.102 179.241 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 -114.22 -8.07 12.96 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.784 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.789 ' HA ' ' H5 ' ' A' ' 22' ' ' IPH . 70.2 mt -66.42 -33.86 76.66 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 177.352 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.55 ' O ' ' HB2' ' B' ' 16' ' ' TYR . 2.9 m -67.61 -31.68 53.57 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.413 0 CA-C-N 114.602 -1.181 . . . . 0.0 110.791 178.176 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.546 ' HG3' ' HB3' ' D' ' 9' ' ' SER . 41.2 tt0 -62.49 -39.24 92.84 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 179.556 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.66 -46.61 62.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.937 178.176 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.74 HD11 HD11 ' A' ' 2' ' ' ILE . 60.0 mt -58.03 -42.01 84.44 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.627 0.727 . . . . 0.0 109.895 178.841 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 16' ' ' TYR . . . . . 0.55 ' HB2' ' O ' ' B' ' 12' ' ' VAL . 1.5 t80 -53.73 -45.46 70.51 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.37 -1.286 . . . . 0.0 110.916 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.415 HD13 ' NE2' ' D' ' 5' ' ' HIS . 3.9 mm? -68.43 -45.27 72.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.139 179.635 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 65.6 t -64.0 -45.2 97.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.36 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 81.0 m -73.61 -19.35 60.89 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.115 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.09 -107.92 2.25 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.819 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -112.15 13.08 20.54 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.993 0.425 . . . . 0.0 111.116 -179.315 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 65.9 mtp180 -77.08 -73.43 0.29 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.321 0.581 . . . . 0.0 109.848 178.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' GLY . . . . . 0.489 ' CA ' ' HD2' ' D' ' 28' ' ' PRO . . . 138.56 -176.77 20.62 Favored Glycine 0 N--CA 1.446 -0.655 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.583 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 24' ' ' PHE . . . . . 0.454 ' CZ ' ' HB ' ' B' ' 12' ' ' VAL . 2.3 p90 -160.68 171.14 19.42 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.014 0.435 . . . . 0.0 110.647 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -129.43 135.83 49.16 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 178.019 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.456 ' OH ' ' HA ' ' A' ' 3' ' ' VAL . 3.2 t80 -140.15 107.36 5.49 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.186 -0.606 . . . . 0.0 111.458 -178.078 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 27' ' ' THR . . . . . 0.617 ' HB ' ' HG2' ' B' ' 29' ' ' LYS . 15.5 p -127.53 101.42 24.31 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.307 179.406 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 28' ' ' PRO . . . . . 0.636 ' HA ' HG21 ' A' ' 3' ' ' VAL . 47.0 Cg_endo -70.46 -2.73 11.15 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.836 2.357 . . . . 0.0 112.529 -179.553 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.617 ' HG2' ' HB ' ' B' ' 27' ' ' THR . 0.0 OUTLIER -67.29 167.86 11.59 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 121.297 0.57 . . . . 0.0 111.078 179.535 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 14.4 m . . . . . 0 C--O 1.245 0.821 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 178.668 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.485 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 2' ' ' ILE . . . . . 0.739 HD11 HD11 ' D' ' 15' ' ' LEU . 7.4 tt -163.12 -46.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 117.024 0.412 . . . . 0.0 110.989 -179.722 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 3' ' ' VAL . . . . . 0.664 HG21 ' HA ' ' D' ' 28' ' ' PRO . 18.0 t -50.6 -49.43 25.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.777 -179.664 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 4' ' ' GLU . . . . . 0.45 ' O ' HG22 ' C' ' 8' ' ' THR . 33.7 tt0 -99.67 -45.05 5.9 Favored 'General case' 0 N--CA 1.443 -0.784 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.066 179.296 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -45.71 -50.58 13.54 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.098 0.777 . . . . 0.0 113.098 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 6' ' ' CYS . . . . . 0.558 ' O ' ' HA ' ' C' ' 10' ' ' ILE . 83.9 m -82.62 -15.22 52.95 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 -178.043 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 7' ' ' CYS . . . . . . . . . . . . . 46.6 t -97.21 -23.8 16.01 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.27 -0.572 . . . . 0.0 111.421 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 8' ' ' THR . . . . . 0.544 HG23 ' H ' ' C' ' 9' ' ' SER . 11.6 t -79.61 -66.78 0.83 Allowed 'General case' 0 CA--C 1.536 0.418 0 O-C-N 121.79 -0.569 . . . . 0.0 111.651 -179.032 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 9' ' ' SER . . . . . 0.546 ' O ' ' HB ' ' C' ' 10' ' ' ILE . 20.1 m -106.03 -3.42 21.63 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 117.817 0.28 . . . . 0.0 111.137 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 10' ' ' ILE . . . . . 0.931 HG23 ' H2 ' ' C' ' 22' ' ' IPH . 35.2 mt 76.27 140.24 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 CA-C-N 115.691 -0.686 . . . . 0.0 112.179 179.018 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 84.2 m -102.96 141.86 35.05 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.594 179.281 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 17.2 m -71.69 167.3 20.15 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 178.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 7.6 tt -55.56 -47.43 76.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.615 0.245 . . . . 0.0 110.638 -179.522 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 13.8 m-30 -62.31 -31.88 72.54 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.432 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -70.85 -40.09 72.56 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.285 178.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 16' ' ' LEU . . . . . 0.529 ' HB3' HD23 ' D' ' 15' ' ' LEU . 95.4 mt -63.57 -32.49 73.97 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.301 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -61.94 -19.8 63.13 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.819 0.342 . . . . 0.0 111.577 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 31.9 m120 -75.18 -11.39 60.07 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.935 0.398 . . . . 0.0 110.938 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -121.21 29.25 7.39 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.594 0.711 . . . . 0.0 109.915 -179.254 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 47.7 t -102.13 177.69 4.82 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.305 -179.521 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 49.0 t30 . . . . . 0 C--O 1.25 1.129 0 CA-C-O 118.315 -0.85 . . . . 0.0 110.283 179.935 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 1' ' ' PHE . . . . . 0.45 ' N ' ' HA ' ' G' ' 8' ' ' THR . 18.4 p90 . . . . . 0 N--CA 1.48 1.049 0 N-CA-C 111.493 0.183 . . . . 0.0 111.493 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 2' ' ' VAL . . . . . . . . . . . . . 21.5 t -78.8 75.52 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.138 0 CA-C-O 121.485 0.659 . . . . 0.0 109.406 179.393 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 3' ' ' ASN . . . . . 0.774 ' HB3' ' HB3' ' D' ' 7' ' ' CYS . 79.1 m-20 -77.59 0.41 23.21 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.633 -178.521 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -66.62 -36.03 81.61 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.318 0.58 . . . . 0.0 110.536 179.401 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 5' ' ' HIS . . . . . 0.729 ' HB3' HD13 ' G' ' 10' ' ' ILE . 72.4 t60 -97.72 -7.5 30.67 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.847 179.727 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 6' ' ' LEU . . . . . 0.577 ' HB2' ' HA ' ' D' ' 3' ' ' ASN . 80.5 mt -101.64 -76.65 0.56 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.34 -0.846 . . . . 0.0 109.868 179.323 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 7' ' ' CYS . . . . . 0.774 ' HB3' ' HB3' ' D' ' 3' ' ' ASN . 0.0 OUTLIER -64.32 -33.34 75.6 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.226 178.729 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 8' ' ' GLY . . . . . 0.732 ' HA2' ' HG ' ' D' ' 11' ' ' LEU . . . -56.1 -30.76 58.14 Favored Glycine 0 C--N 1.335 0.492 0 C-N-CA 121.11 -0.566 . . . . 0.0 112.268 178.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 9' ' ' SER . . . . . 0.546 ' HB3' ' HG3' ' B' ' 13' ' ' GLU . 11.4 m -69.61 -7.36 38.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.949 0.404 . . . . 0.0 111.034 179.254 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 10' ' ' HIS . . . . . . . . . . . . . 85.9 m-70 -113.93 -8.17 13.12 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.717 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 11' ' ' LEU . . . . . 0.803 ' HA ' ' H5 ' ' C' ' 22' ' ' IPH . 70.6 mt -66.17 -34.27 77.66 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 177.336 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 12' ' ' VAL . . . . . 0.548 ' O ' ' HB2' ' D' ' 16' ' ' TYR . 3.1 m -67.43 -31.84 54.6 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.423 0 CA-C-N 114.692 -1.14 . . . . 0.0 110.812 178.387 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 13' ' ' GLU . . . . . 0.534 ' HG3' ' HB3' ' B' ' 9' ' ' SER . 41.1 tt0 -62.42 -38.88 91.41 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.366 0.603 . . . . 0.0 109.387 179.642 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.03 -46.16 62.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.08 178.056 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 15' ' ' LEU . . . . . 0.739 HD11 HD11 ' C' ' 2' ' ' ILE . 66.0 mt -58.42 -41.93 86.1 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 121.497 0.665 . . . . 0.0 109.838 178.764 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 16' ' ' TYR . . . . . 0.548 ' HB2' ' O ' ' D' ' 12' ' ' VAL . 1.5 t80 -53.88 -45.44 71.06 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.538 -1.21 . . . . 0.0 110.896 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 17' ' ' LEU . . . . . 0.431 HD13 ' NE2' ' B' ' 5' ' ' HIS . 3.9 mm? -68.64 -45.29 72.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.926 179.614 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 71.6 t -63.96 -45.27 97.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.133 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 19' ' ' CYS . . . . . . . . . . . . . 85.0 m -73.44 -19.5 60.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.291 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.61 -110.04 3.24 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.998 -0.62 . . . . 0.0 112.549 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -108.93 10.9 26.27 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.816 0.341 . . . . 0.0 111.339 -179.409 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 22' ' ' ARG . . . . . . . . . . . . . 66.9 mtp180 -74.77 -73.11 0.25 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.233 0.539 . . . . 0.0 110.296 179.388 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 23' ' ' GLY . . . . . 0.508 ' CA ' ' HD2' ' B' ' 28' ' ' PRO . . . 138.23 -176.58 20.66 Favored Glycine 0 N--CA 1.446 -0.663 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.578 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 24' ' ' PHE . . . . . 0.46 ' CZ ' ' HB ' ' D' ' 12' ' ' VAL . 2.3 p90 -161.07 170.99 19.38 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.127 0.489 . . . . 0.0 110.817 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 25' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -129.15 136.73 50.57 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 177.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 26' ' ' TYR . . . . . 0.469 ' OH ' ' HA ' ' C' ' 3' ' ' VAL . 3.2 t80 -141.16 106.57 5.04 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.147 -0.621 . . . . 0.0 111.279 -178.132 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 27' ' ' THR . . . . . 0.624 ' HB ' ' HG2' ' D' ' 29' ' ' LYS . 12.1 p -127.34 101.56 24.75 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.024 179.324 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 28' ' ' PRO . . . . . 0.664 ' HA ' HG21 ' C' ' 3' ' ' VAL . 44.9 Cg_endo -70.22 -2.94 11.33 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 123.059 2.506 . . . . 0.0 112.596 -179.515 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 29' ' ' LYS . . . . . 0.624 ' HG2' ' HB ' ' D' ' 27' ' ' THR . 0.0 OUTLIER -67.03 168.44 10.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.093 179.73 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 15.1 m . . . . . 0 C--O 1.245 0.854 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 178.799 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.631 0 N-CA-C 111.871 -0.492 . . . . 0.0 111.871 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' E' E ' 2' ' ' ILE . . . . . 0.735 HD11 HD11 ' F' ' 15' ' ' LEU . 7.0 tt -160.8 -45.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.315 -0.919 0 O-C-N 122.431 -0.452 . . . . 0.0 110.945 179.723 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 3' ' ' VAL . . . . . 0.656 HG21 ' HA ' ' F' ' 28' ' ' PRO . 21.0 t -51.69 -48.82 36.88 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.684 -179.185 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 4' ' ' GLU . . . . . 0.498 ' O ' HG22 ' E' ' 8' ' ' THR . 34.0 tt0 -99.63 -45.1 5.89 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.339 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -45.85 -50.73 13.97 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 -179.499 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 6' ' ' CYS . . . . . 0.555 ' O ' ' HA ' ' E' ' 10' ' ' ILE . 84.6 m -82.92 -14.94 53.2 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 -177.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 7' ' ' CYS . . . . . . . . . . . . . 47.3 t -97.08 -23.6 16.17 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.262 -0.575 . . . . 0.0 111.332 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 8' ' ' THR . . . . . 0.574 HG23 ' H ' ' E' ' 9' ' ' SER . 9.3 t -79.56 -67.89 0.72 Allowed 'General case' 0 C--O 1.235 0.333 0 O-C-N 121.663 -0.648 . . . . 0.0 111.545 -179.356 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 9' ' ' SER . . . . . 0.574 ' H ' HG23 ' E' ' 8' ' ' THR . 23.9 m -104.38 -4.88 22.28 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 117.656 0.207 . . . . 0.0 111.186 -179.435 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 10' ' ' ILE . . . . . 0.963 HG23 ' H2 ' ' E' ' 22' ' ' IPH . 35.8 mt 76.8 138.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.286 0 CA-C-O 121.555 0.693 . . . . 0.0 112.326 179.362 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 11' ' ' CYS . . . . . . . . . . . . . 79.8 m -101.53 141.58 34.19 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.976 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 12' ' ' SER . . . . . . . . . . . . . 12.2 m -71.06 167.37 19.39 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 178.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 7.7 tt -56.43 -46.36 80.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.577 0.227 . . . . 0.0 110.44 -179.549 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 13.4 m-30 -63.06 -32.12 73.41 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.88 0.371 . . . . 0.0 111.315 179.538 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -70.73 -40.41 72.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.96 0.409 . . . . 0.0 110.213 179.192 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 16' ' ' LEU . . . . . 0.535 ' HB3' HD23 ' F' ' 15' ' ' LEU . 95.7 mt -63.04 -33.01 74.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.362 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 17' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -61.29 -21.37 63.88 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.624 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 18' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -73.52 -12.91 60.93 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.738 0.304 . . . . 0.0 110.836 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 19' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -119.62 29.5 7.56 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.546 0.688 . . . . 0.0 110.069 -179.233 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 20' ' ' CYS . . . . . . . . . . . . . 43.7 t -102.5 175.55 5.47 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.068 -0.969 . . . . 0.0 110.489 -179.538 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 21' ' ' ASN . . . . . . . . . . . . . 49.2 t30 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.525 -0.75 . . . . 0.0 110.696 179.959 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' F' F ' 1' ' ' PHE . . . . . 0.453 ' N ' ' HA ' ' A' ' 8' ' ' THR . 17.5 p90 . . . . . 0 N--CA 1.483 1.195 0 N-CA-C 111.665 0.246 . . . . 0.0 111.665 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 2' ' ' VAL . . . . . . . . . . . . . 21.6 t -78.3 76.27 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.135 0 CA-C-O 121.545 0.688 . . . . 0.0 109.454 179.35 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 3' ' ' ASN . . . . . 0.771 ' HB3' ' HB3' ' F' ' 7' ' ' CYS . 77.5 m-20 -77.98 -0.65 28.57 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.503 -178.676 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 4' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -65.36 -36.08 82.91 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.334 0.588 . . . . 0.0 110.637 179.442 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 5' ' ' HIS . . . . . 0.713 ' HB3' HD13 ' A' ' 10' ' ' ILE . 74.6 t60 -97.68 -8.0 29.7 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.763 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 6' ' ' LEU . . . . . 0.564 ' HB2' ' HA ' ' F' ' 3' ' ' ASN . 77.3 mt -101.35 -76.95 0.55 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.735 179.359 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 7' ' ' CYS . . . . . 0.771 ' HB3' ' HB3' ' F' ' 3' ' ' ASN . 0.0 OUTLIER -63.92 -33.55 75.96 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.388 178.694 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' F' F ' 8' ' ' GLY . . . . . 0.719 ' HA2' ' HG ' ' F' ' 11' ' ' LEU . . . -55.86 -31.04 57.93 Favored Glycine 0 C--N 1.336 0.549 0 C-N-CA 121.175 -0.536 . . . . 0.0 112.216 178.779 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 9' ' ' SER . . . . . 0.524 ' HB3' ' HG3' ' H' ' 13' ' ' GLU . 14.0 m -69.21 -7.73 39.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.919 0.39 . . . . 0.0 111.095 179.341 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 10' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 -113.54 -8.05 13.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.777 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 11' ' ' LEU . . . . . 0.776 ' HA ' ' H5 ' ' E' ' 22' ' ' IPH . 68.1 mt -66.28 -33.92 76.82 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 107.616 -1.253 . . . . 0.0 107.616 177.506 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 12' ' ' VAL . . . . . 0.541 ' O ' ' HB2' ' F' ' 16' ' ' TYR . 3.1 m -67.59 -32.13 55.6 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.38 0 CA-C-N 114.378 -1.283 . . . . 0.0 110.849 178.213 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 13' ' ' GLU . . . . . 0.547 ' HG3' ' HB3' ' H' ' 9' ' ' SER . 41.0 tt0 -62.16 -39.07 91.42 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 179.585 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.1 -45.59 63.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.258 178.242 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 15' ' ' LEU . . . . . 0.735 HD11 HD11 ' E' ' 2' ' ' ILE . 61.8 mt -58.89 -41.87 88.18 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.647 178.73 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 16' ' ' TYR . . . . . 0.541 ' HB2' ' O ' ' F' ' 12' ' ' VAL . 1.5 t80 -53.58 -46.28 70.25 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.551 -1.204 . . . . 0.0 110.787 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 17' ' ' LEU . . . . . 0.415 HD13 ' NE2' ' H' ' 5' ' ' HIS . 3.9 mm? -68.14 -44.84 75.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.154 179.607 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 66.3 t -64.41 -44.38 97.08 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 CA-C-O 121.007 0.432 . . . . 0.0 111.203 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 19' ' ' CYS . . . . . . . . . . . . . 83.3 m -74.46 -19.23 60.46 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.192 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.43 -108.35 2.4 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 121.162 -0.542 . . . . 0.0 112.841 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 21' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -110.55 11.72 22.92 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.903 0.382 . . . . 0.0 111.288 -179.397 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 22' ' ' ARG . . . . . . . . . . . . . 66.8 mtp180 -76.05 -74.05 0.24 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.216 0.532 . . . . 0.0 110.047 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 23' ' ' GLY . . . . . 0.483 ' CA ' ' HD2' ' H' ' 28' ' ' PRO . . . 139.44 -176.53 21.02 Favored Glycine 0 N--CA 1.446 -0.693 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.626 -179.773 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 24' ' ' PHE . . . . . 0.463 ' CZ ' ' HB ' ' F' ' 12' ' ' VAL . 2.2 p90 -160.86 170.97 19.59 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.131 0.491 . . . . 0.0 110.683 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 25' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -129.56 135.19 48.28 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 178.117 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 26' ' ' TYR . . . . . 0.451 ' OH ' ' HA ' ' E' ' 3' ' ' VAL . 3.3 t80 -139.59 106.94 5.52 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 120.106 -0.638 . . . . 0.0 111.537 -177.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 27' ' ' THR . . . . . 0.609 ' HB ' ' HG2' ' F' ' 29' ' ' LYS . 16.8 p -127.13 101.16 25.89 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.296 179.288 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 28' ' ' PRO . . . . . 0.656 ' HA ' HG21 ' E' ' 3' ' ' VAL . 50.2 Cg_endo -70.3 -3.97 13.45 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.771 2.314 . . . . 0.0 112.517 -179.508 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 29' ' ' LYS . . . . . 0.609 ' HG2' ' HB ' ' F' ' 27' ' ' THR . 0.0 OUTLIER -65.79 168.5 7.77 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.26 179.424 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' F' F ' 30' ' ' THR . . . . . . . . . . . . . 9.6 m . . . . . 0 C--O 1.247 0.922 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 178.519 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' G' G ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.894 0 N-CA-C 111.478 -0.649 . . . . 0.0 111.478 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' G' G ' 2' ' ' ILE . . . . . 0.728 HD11 HD11 ' H' ' 15' ' ' LEU . 7.0 tt -160.37 -45.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 O-C-N 122.757 -0.261 . . . . 0.0 111.032 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 3' ' ' VAL . . . . . 0.641 HG21 ' HA ' ' H' ' 28' ' ' PRO . 20.6 t -52.02 -47.85 41.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 121.083 0.468 . . . . 0.0 111.931 -179.119 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 4' ' ' GLU . . . . . 0.471 ' O ' HG22 ' G' ' 8' ' ' THR . 34.6 tt0 -99.85 -46.57 5.34 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 120.591 -0.443 . . . . 0.0 109.835 179.408 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 5' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -44.21 -53.15 6.83 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 6' ' ' CYS . . . . . 0.54 ' O ' ' HA ' ' G' ' 10' ' ' ILE . 81.1 m -80.31 -15.05 57.81 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 -178.045 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 7' ' ' CYS . . . . . . . . . . . . . 49.9 t -98.18 -21.84 16.5 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.357 -0.537 . . . . 0.0 111.56 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 8' ' ' THR . . . . . 0.564 HG23 ' H ' ' G' ' 9' ' ' SER . 8.9 t -81.07 -66.52 0.88 Allowed 'General case' 0 C--N 1.329 -0.322 0 O-C-N 121.897 -0.502 . . . . 0.0 111.498 -179.259 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 9' ' ' SER . . . . . 0.568 ' O ' ' HB ' ' G' ' 10' ' ' ILE . 22.6 m -105.41 -6.59 19.39 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 117.66 0.209 . . . . 0.0 111.372 -179.609 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 10' ' ' ILE . . . . . 0.936 HG23 ' H2 ' ' G' ' 22' ' ' IPH . 34.2 mt 78.65 137.3 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 O-C-N 124.187 0.929 . . . . 0.0 112.202 179.292 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 11' ' ' CYS . . . . . . . . . . . . . 82.8 m -100.04 141.68 32.55 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.911 179.227 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 12' ' ' SER . . . . . . . . . . . . . 15.6 m -72.02 166.73 21.64 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 178.562 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 13' ' ' LEU . . . . . 0.403 HD11 HD11 ' A' ' 13' ' ' LEU . 7.5 tt -54.95 -46.73 75.03 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.678 0.275 . . . . 0.0 110.699 -179.34 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 13.8 m-30 -62.95 -32.0 73.22 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.413 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -70.99 -39.21 72.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.792 0.33 . . . . 0.0 110.215 179.115 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 16' ' ' LEU . . . . . 0.517 ' HB3' HD23 ' H' ' 15' ' ' LEU . 95.5 mt -64.06 -32.96 74.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.272 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 17' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -61.68 -20.18 63.15 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 111.738 0.273 . . . . 0.0 111.738 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 18' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -74.5 -12.1 60.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.785 0.326 . . . . 0.0 110.776 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 19' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -121.11 31.14 6.5 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.642 0.734 . . . . 0.0 109.8 -179.422 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 20' ' ' CYS . . . . . . . . . . . . . 46.6 t -104.55 174.6 5.8 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.441 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 21' ' ' ASN . . . . . . . . . . . . . 52.0 t30 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.399 -0.81 . . . . 0.0 110.583 179.668 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' H' H ' 1' ' ' PHE . . . . . 0.427 ' N ' ' HA ' ' K' ' 8' ' ' THR . 17.7 p90 . . . . . 0 N--CA 1.48 1.057 0 N-CA-C 111.608 0.225 . . . . 0.0 111.608 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 2' ' ' VAL . . . . . . . . . . . . . 21.6 t -78.75 74.36 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.149 0 CA-C-O 121.57 0.7 . . . . 0.0 109.516 179.611 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 3' ' ' ASN . . . . . 0.788 ' HB3' ' HB3' ' H' ' 7' ' ' CYS . 79.8 m-20 -77.18 2.18 16.17 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.654 -178.333 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' H' H ' 4' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -68.27 -35.76 78.36 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.14 0.495 . . . . 0.0 110.264 179.458 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 5' ' ' HIS . . . . . 0.733 ' HB3' HD13 ' K' ' 10' ' ' ILE . 73.2 t60 -97.27 -9.09 28.3 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.647 179.736 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' H' H ' 6' ' ' LEU . . . . . 0.561 ' HB2' ' HA ' ' H' ' 3' ' ' ASN . 73.9 mt -100.24 -76.69 0.55 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.146 179.438 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' H' H ' 7' ' ' CYS . . . . . 0.788 ' HB3' ' HB3' ' H' ' 3' ' ' ASN . 0.0 OUTLIER -64.47 -32.77 74.54 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.261 178.884 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' H' H ' 8' ' ' GLY . . . . . 0.702 ' HA2' ' HG ' ' H' ' 11' ' ' LEU . . . -56.38 -31.11 59.42 Favored Glycine 0 C--N 1.334 0.441 0 C-N-CA 121.115 -0.564 . . . . 0.0 112.11 178.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' H' H ' 9' ' ' SER . . . . . 0.547 ' HB3' ' HG3' ' F' ' 13' ' ' GLU . 14.2 m -69.3 -7.27 35.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.857 0.36 . . . . 0.0 111.155 179.441 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' H' H ' 10' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 -114.24 -7.67 12.96 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.663 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 11' ' ' LEU . . . . . 0.773 ' HA ' ' H5 ' ' G' ' 22' ' ' IPH . 69.4 mt -66.79 -33.78 76.38 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 177.333 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' H' H ' 12' ' ' VAL . . . . . 0.534 ' O ' ' HB2' ' H' ' 16' ' ' TYR . 2.9 m -67.75 -31.67 53.31 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.288 0 CA-C-N 114.513 -1.221 . . . . 0.0 110.71 178.241 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' H' H ' 13' ' ' GLU . . . . . 0.524 ' HG3' ' HB3' ' F' ' 9' ' ' SER . 40.9 tt0 -62.59 -38.75 91.34 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 179.634 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' H' H ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.28 -46.42 60.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.934 178.218 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 15' ' ' LEU . . . . . 0.728 HD11 HD11 ' G' ' 2' ' ' ILE . 62.4 mt -58.28 -41.7 84.93 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.592 0.71 . . . . 0.0 109.823 178.812 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' H' H ' 16' ' ' TYR . . . . . 0.534 ' HB2' ' O ' ' H' ' 12' ' ' VAL . 1.5 t80 -53.74 -46.13 70.78 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 114.476 -1.238 . . . . 0.0 110.752 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' H' H ' 17' ' ' LEU . . . . . 0.44 HD13 ' NE2' ' F' ' 5' ' ' HIS . 3.9 mm? -67.81 -45.19 75.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.163 179.535 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 61.4 t -63.74 -46.55 94.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.144 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 19' ' ' CYS . . . . . . . . . . . . . 82.2 m -72.4 -19.13 61.66 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.388 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.18 -108.97 2.65 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.885 179.571 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 21' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -110.44 12.64 22.94 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.796 0.332 . . . . 0.0 111.43 -179.403 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 22' ' ' ARG . . . . . . . . . . . . . 67.0 mtp180 -77.24 -73.77 0.28 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.944 179.233 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 23' ' ' GLY . . . . . 0.499 ' CA ' ' HD2' ' F' ' 28' ' ' PRO . . . 139.24 -176.45 21.0 Favored Glycine 0 N--CA 1.445 -0.729 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.546 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' H' H ' 24' ' ' PHE . . . . . 0.451 ' CZ ' ' HB ' ' H' ' 12' ' ' VAL . 2.3 p90 -161.29 170.36 20.35 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.25 0.547 . . . . 0.0 110.601 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' H' H ' 25' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -128.78 136.98 51.27 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 177.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 26' ' ' TYR . . . . . 0.446 ' OH ' ' HA ' ' G' ' 3' ' ' VAL . 3.2 t80 -141.45 106.61 4.98 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.212 -0.595 . . . . 0.0 111.385 -177.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' H' H ' 27' ' ' THR . . . . . 0.629 ' HB ' ' HG2' ' H' ' 29' ' ' LYS . 10.1 p -127.04 100.75 26.77 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.264 179.595 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' H' H ' 28' ' ' PRO . . . . . 0.641 ' HA ' HG21 ' G' ' 3' ' ' VAL . 52.8 Cg_endo -70.09 -1.22 8.38 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.688 2.259 . . . . 0.0 112.645 -179.602 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' H' H ' 29' ' ' LYS . . . . . 0.629 ' HG2' ' HB ' ' H' ' 27' ' ' THR . 0.0 OUTLIER -69.28 164.85 21.87 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.316 179.831 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' H' H ' 30' ' ' THR . . . . . . . . . . . . . 9.0 m . . . . . 0 C--O 1.245 0.861 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 178.535 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' I' I ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.688 0 N-CA-C 111.294 -0.722 . . . . 0.0 111.294 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' I' I ' 2' ' ' ILE . . . . . 0.746 HD11 HD11 ' J' ' 15' ' ' LEU . 6.6 tt -160.05 -45.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.315 -0.916 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.051 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' I' I ' 3' ' ' VAL . . . . . 0.635 HG21 ' HA ' ' J' ' 28' ' ' PRO . 20.0 t -51.78 -50.32 32.66 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.099 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.463 -179.434 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' I' I ' 4' ' ' GLU . . . . . 0.426 ' O ' HG22 ' I' ' 8' ' ' THR . 32.7 tt0 -97.84 -45.93 6.13 Favored 'General case' 0 N--CA 1.443 -0.819 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.03 179.274 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' I' I ' 5' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -44.46 -52.77 7.56 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -179.507 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 6' ' ' CYS . . . . . 0.549 ' O ' ' HA ' ' I' ' 10' ' ' ILE . 81.5 m -80.75 -15.12 57.29 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 113.191 0.811 . . . . 0.0 113.191 -177.843 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' I' I ' 7' ' ' CYS . . . . . . . . . . . . . 45.8 t -97.58 -22.47 16.49 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.452 -0.499 . . . . 0.0 111.327 -179.632 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 8' ' ' THR . . . . . 0.536 HG23 ' H ' ' I' ' 9' ' ' SER . 10.6 t -80.48 -66.96 0.82 Allowed 'General case' 0 CA--C 1.534 0.349 0 O-C-N 121.789 -0.569 . . . . 0.0 111.472 -179.138 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' I' I ' 9' ' ' SER . . . . . 0.558 ' O ' ' HB ' ' I' ' 10' ' ' ILE . 19.9 m -105.34 -6.01 19.98 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.566 0.222 . . . . 0.0 111.242 -179.446 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' I' I ' 10' ' ' ILE . . . . . 0.924 HG23 ' H2 ' ' I' ' 22' ' ' IPH . 35.0 mt 77.81 136.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-N 115.626 -0.716 . . . . 0.0 112.22 179.322 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' I' I ' 11' ' ' CYS . . . . . . . . . . . . . 80.3 m -99.53 142.34 31.13 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.432 -0.803 . . . . 0.0 109.842 179.193 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 12' ' ' SER . . . . . . . . . . . . . 19.9 m -72.4 167.39 20.63 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 178.503 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 13' ' ' LEU . . . . . . . . . . . . . 7.7 tt -56.14 -46.47 79.21 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.599 0.238 . . . . 0.0 110.563 -179.294 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 13.8 m-30 -63.11 -32.2 73.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.764 0.316 . . . . 0.0 111.261 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 15' ' ' GLN . . . . . 0.427 ' HA ' ' OE1' ' I' ' 15' ' ' GLN . 12.1 mm100 -70.62 -39.82 73.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.89 0.376 . . . . 0.0 110.326 179.136 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' I' I ' 16' ' ' LEU . . . . . 0.546 ' HB3' HD23 ' J' ' 15' ' ' LEU . 95.8 mt -63.59 -32.53 74.03 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.19 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' I' I ' 17' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -62.19 -18.89 62.32 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.703 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 18' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -76.18 -10.73 59.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.076 0.465 . . . . 0.0 110.774 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 19' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -122.35 31.64 6.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.5 0.666 . . . . 0.0 109.716 -179.492 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 20' ' ' CYS . . . . . . . . . . . . . 49.6 t -105.21 175.26 5.55 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.447 -179.532 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 21' ' ' ASN . . . . . . . . . . . . . 48.7 t30 . . . . . 0 C--O 1.251 1.153 0 CA-C-O 118.591 -0.718 . . . . 0.0 110.676 179.881 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' J' J ' 1' ' ' PHE . . . . . 0.45 ' N ' ' HA ' ' E' ' 8' ' ' THR . 17.2 p90 . . . . . 0 N--CA 1.479 0.988 0 N-CA-C 111.61 0.226 . . . . 0.0 111.61 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 2' ' ' VAL . . . . . . . . . . . . . 21.5 t -77.74 74.22 0.57 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.128 0 CA-C-O 121.558 0.694 . . . . 0.0 109.982 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 3' ' ' ASN . . . . . 0.77 ' HB3' ' HB3' ' J' ' 7' ' ' CYS . 78.4 m-20 -76.12 0.35 19.18 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.761 -178.75 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' J' J ' 4' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -66.98 -35.46 80.01 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.224 0.535 . . . . 0.0 110.442 179.319 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 5' ' ' HIS . . . . . 0.727 ' HB3' HD13 ' E' ' 10' ' ' ILE . 73.6 t60 -98.01 -8.34 28.11 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.802 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' J' J ' 6' ' ' LEU . . . . . 0.586 ' HB2' ' HA ' ' J' ' 3' ' ' ASN . 74.8 mt -101.02 -76.76 0.55 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.916 179.608 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' J' J ' 7' ' ' CYS . . . . . 0.77 ' HB3' ' HB3' ' J' ' 3' ' ' ASN . 0.0 OUTLIER -64.29 -33.17 75.22 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.329 -0.851 . . . . 0.0 110.336 178.718 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' J' J ' 8' ' ' GLY . . . . . 0.718 ' HA2' ' HG ' ' J' ' 11' ' ' LEU . . . -56.13 -31.01 58.63 Favored Glycine 0 C--N 1.335 0.523 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.255 178.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' J' J ' 9' ' ' SER . . . . . 0.562 ' HB3' ' HG3' ' L' ' 13' ' ' GLU . 14.1 m -69.21 -7.54 37.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.005 0.431 . . . . 0.0 111.043 179.385 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' J' J ' 10' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -113.85 -7.95 13.18 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.762 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 11' ' ' LEU . . . . . 0.806 ' HA ' ' H5 ' ' I' ' 22' ' ' IPH . 69.9 mt -66.42 -33.86 76.64 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 177.521 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' J' J ' 12' ' ' VAL . . . . . 0.536 ' O ' ' HB2' ' J' ' 16' ' ' TYR . 3.1 m -67.65 -31.85 54.25 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.433 0 CA-C-N 114.465 -1.243 . . . . 0.0 110.755 178.391 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' J' J ' 13' ' ' GLU . . . . . 0.528 ' HG3' ' HB3' ' L' ' 9' ' ' SER . 43.2 tt0 -62.56 -38.5 90.32 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 179.67 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' J' J ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.26 -46.11 61.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.034 178.134 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 15' ' ' LEU . . . . . 0.746 HD11 HD11 ' I' ' 2' ' ' ILE . 59.6 mt -58.87 -41.65 87.55 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 121.563 0.697 . . . . 0.0 109.706 178.819 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' J' J ' 16' ' ' TYR . . . . . 0.536 ' HB2' ' O ' ' J' ' 12' ' ' VAL . 1.6 t80 -54.04 -45.17 71.55 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 114.565 -1.198 . . . . 0.0 110.715 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' J' J ' 17' ' ' LEU . . . . . 0.439 HD13 ' NE2' ' L' ' 5' ' ' HIS . 3.9 mm? -68.75 -44.73 73.13 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.113 179.594 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 66.6 t -64.43 -44.34 97.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.333 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 19' ' ' CYS . . . . . . . . . . . . . 79.5 m -74.91 -19.27 60.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.188 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.9 -106.74 1.8 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 121.057 -0.592 . . . . 0.0 113.143 179.407 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 21' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -113.34 13.23 19.01 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.952 0.406 . . . . 0.0 111.102 -179.186 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 22' ' ' ARG . . . . . . . . . . . . . 67.0 mtp180 -76.98 -74.5 0.24 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.627 178.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 23' ' ' GLY . . . . . 0.496 ' CA ' ' HD2' ' L' ' 28' ' ' PRO . . . 139.86 -175.99 21.49 Favored Glycine 0 N--CA 1.444 -0.784 0 N-CA-C 111.39 -0.684 . . . . 0.0 111.39 179.732 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' J' J ' 24' ' ' PHE . . . . . 0.459 ' CZ ' ' HB ' ' J' ' 12' ' ' VAL . 2.3 p90 -161.16 170.72 19.8 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.153 0.501 . . . . 0.0 110.67 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' J' J ' 25' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -129.15 136.39 50.12 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 178.045 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 26' ' ' TYR . . . . . 0.462 ' OH ' ' HA ' ' I' ' 3' ' ' VAL . 3.2 t80 -140.77 106.41 5.11 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.095 -0.642 . . . . 0.0 111.277 -178.054 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' J' J ' 27' ' ' THR . . . . . 0.616 ' HB ' ' HG2' ' J' ' 29' ' ' LYS . 15.8 p -126.75 101.48 26.7 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.306 179.112 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' J' J ' 28' ' ' PRO . . . . . 0.635 ' HA ' HG21 ' I' ' 3' ' ' VAL . 45.5 Cg_endo -70.06 -3.63 12.6 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.809 2.339 . . . . 0.0 112.771 -179.386 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' J' J ' 29' ' ' LYS . . . . . 0.616 ' HG2' ' HB ' ' J' ' 27' ' ' THR . 0.0 OUTLIER -66.05 169.57 6.73 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.941 179.391 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' J' J ' 30' ' ' THR . . . . . . . . . . . . . 13.9 m . . . . . 0 C--O 1.248 0.985 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 178.488 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.275 0 N-CA-C 110.769 -0.932 . . . . 0.0 110.769 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' K' K ' 2' ' ' ILE . . . . . 0.75 HD11 HD11 ' L' ' 15' ' ' LEU . 7.4 tt -160.81 -45.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-N 116.613 0.207 . . . . 0.0 111.212 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' K' K ' 3' ' ' VAL . . . . . 0.657 HG21 ' HA ' ' L' ' 28' ' ' PRO . 19.6 t -51.31 -49.11 31.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.08 -0.509 . . . . 0.0 112.062 -179.118 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' K' K ' 4' ' ' GLU . . . . . 0.452 ' O ' HG22 ' K' ' 8' ' ' THR . 33.7 tt0 -99.56 -45.42 5.81 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 179.304 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' K' K ' 5' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -44.92 -52.47 8.66 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' K' K ' 6' ' ' CYS . . . . . 0.549 ' O ' ' HA ' ' K' ' 10' ' ' ILE . 85.1 m -81.22 -15.18 56.41 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -177.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' K' K ' 7' ' ' CYS . . . . . . . . . . . . . 46.2 t -97.05 -22.9 16.53 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.508 -0.477 . . . . 0.0 111.428 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' K' K ' 8' ' ' THR . . . . . 0.544 HG23 ' H ' ' K' ' 9' ' ' SER . 9.8 t -80.08 -67.22 0.79 Allowed 'General case' 0 C--O 1.235 0.298 0 O-C-N 121.568 -0.708 . . . . 0.0 111.621 -179.345 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' K' K ' 9' ' ' SER . . . . . 0.545 ' O ' ' HB ' ' K' ' 10' ' ' ILE . 16.9 m -105.5 -4.55 21.15 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.687 0.28 . . . . 0.0 111.295 -179.192 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' K' K ' 10' ' ' ILE . . . . . 0.909 HG23 ' H2 ' ' K' ' 22' ' ' IPH . 33.4 mt 76.53 137.37 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 CA-C-N 115.416 -0.811 . . . . 0.0 112.487 179.045 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' K' K ' 11' ' ' CYS . . . . . . . . . . . . . 80.3 m -100.11 140.89 33.69 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.107 179.242 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' K' K ' 12' ' ' SER . . . . . . . . . . . . . 22.4 m -71.0 166.74 20.67 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 178.335 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' K' K ' 13' ' ' LEU . . . . . . . . . . . . . 7.6 tt -55.13 -46.74 75.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.633 0.254 . . . . 0.0 110.624 -179.595 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 13.7 m-30 -63.25 -30.56 71.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.864 0.364 . . . . 0.0 111.48 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -72.7 -39.34 67.09 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.1 179.122 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' K' K ' 16' ' ' LEU . . . . . 0.534 ' HB3' HD23 ' L' ' 15' ' ' LEU . 96.0 mt -63.84 -32.35 73.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.258 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' K' K ' 17' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -62.27 -18.59 61.68 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.63 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' K' K ' 18' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -76.92 -9.88 58.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.916 0.389 . . . . 0.0 110.721 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' K' K ' 19' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -122.54 30.01 6.68 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.47 0.653 . . . . 0.0 109.768 -179.407 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' K' K ' 20' ' ' CYS . . . . . . . . . . . . . 46.0 t -103.63 176.22 5.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.398 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' K' K ' 21' ' ' ASN . . . . . . . . . . . . . 49.8 t30 . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.463 -0.78 . . . . 0.0 110.189 179.764 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' L' L ' 1' ' ' PHE . . . . . 0.435 ' N ' ' HA ' ' C' ' 8' ' ' THR . 18.7 p90 . . . . . 0 N--CA 1.48 1.066 0 N-CA-C 111.32 0.119 . . . . 0.0 111.32 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' L' L ' 2' ' ' VAL . . . . . . . . . . . . . 21.5 t -79.48 75.31 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.103 0 CA-C-O 121.683 0.754 . . . . 0.0 109.393 179.317 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' L' L ' 3' ' ' ASN . . . . . 0.788 ' HB3' ' HB3' ' L' ' 7' ' ' CYS . 78.8 m-20 -77.25 -0.5 25.56 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.629 -178.742 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' L' L ' 4' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -66.23 -35.5 80.6 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.264 0.554 . . . . 0.0 110.466 179.402 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' L' L ' 5' ' ' HIS . . . . . 0.71 ' HB3' HD13 ' C' ' 10' ' ' ILE . 73.1 t60 -98.5 -7.59 28.15 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.729 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' L' L ' 6' ' ' LEU . . . . . 0.576 ' HB2' ' HA ' ' L' ' 3' ' ' ASN . 75.3 mt -101.81 -76.3 0.57 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.828 179.325 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' L' L ' 7' ' ' CYS . . . . . 0.788 ' HB3' ' HB3' ' L' ' 3' ' ' ASN . 0.0 OUTLIER -64.26 -33.37 75.67 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.388 178.717 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' L' L ' 8' ' ' GLY . . . . . 0.737 ' HA2' ' HG ' ' L' ' 11' ' ' LEU . . . -56.48 -30.47 58.82 Favored Glycine 0 C--N 1.336 0.539 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.213 178.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' L' L ' 9' ' ' SER . . . . . 0.528 ' HB3' ' HG3' ' J' ' 13' ' ' GLU . 13.3 m -69.56 -7.27 37.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.055 0.455 . . . . 0.0 111.087 179.36 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' L' L ' 10' ' ' HIS . . . . . . . . . . . . . 86.5 m-70 -114.11 -7.88 13.03 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 120.942 0.401 . . . . 0.0 110.775 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' L' L ' 11' ' ' LEU . . . . . 0.804 ' HA ' ' H5 ' ' K' ' 22' ' ' IPH . 71.4 mt -66.41 -34.09 77.18 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 107.479 -1.304 . . . . 0.0 107.479 177.433 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' L' L ' 12' ' ' VAL . . . . . 0.548 ' O ' ' HB2' ' L' ' 16' ' ' TYR . 3.0 m -67.37 -31.86 54.76 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.327 0 CA-C-N 114.528 -1.214 . . . . 0.0 110.86 178.255 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' L' L ' 13' ' ' GLU . . . . . 0.562 ' HG3' ' HB3' ' J' ' 9' ' ' SER . 41.9 tt0 -62.75 -38.73 91.72 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 179.655 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' L' L ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.98 -46.19 62.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.05 178.012 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' L' L ' 15' ' ' LEU . . . . . 0.75 HD11 HD11 ' K' ' 2' ' ' ILE . 59.6 mt -58.55 -41.95 86.77 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.626 0.727 . . . . 0.0 109.854 178.79 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' L' L ' 16' ' ' TYR . . . . . 0.548 ' HB2' ' O ' ' L' ' 12' ' ' VAL . 1.5 t80 -53.64 -45.08 70.07 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.496 -1.229 . . . . 0.0 111.113 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' L' L ' 17' ' ' LEU . . . . . 0.424 HD13 ' NE2' ' J' ' 5' ' ' HIS . 3.9 mm? -69.44 -43.98 72.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.012 179.676 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 64.8 t -65.29 -44.42 94.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.113 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' L' L ' 19' ' ' CYS . . . . . . . . . . . . . 84.4 m -73.99 -19.59 60.61 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.252 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' L' L ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.9 -108.13 2.33 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.917 179.437 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' L' L ' 21' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -111.71 11.96 21.05 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.767 0.318 . . . . 0.0 111.283 -179.411 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' L' L ' 22' ' ' ARG . . . . . . . . . . . . . 66.9 mtp180 -76.09 -73.55 0.27 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.985 179.272 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' L' L ' 23' ' ' GLY . . . . . 0.498 ' CA ' ' HD2' ' J' ' 28' ' ' PRO . . . 138.92 -176.57 20.83 Favored Glycine 0 N--CA 1.444 -0.809 0 N-CA-C 111.552 -0.619 . . . . 0.0 111.552 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' L' L ' 24' ' ' PHE . . . . . 0.453 ' CZ ' ' HB ' ' L' ' 12' ' ' VAL . 2.4 p90 -160.76 170.92 19.78 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.901 0.381 . . . . 0.0 110.787 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' L' L ' 25' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -129.28 135.77 49.2 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 178.038 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' L' L ' 26' ' ' TYR . . . . . 0.456 ' OH ' ' HA ' ' K' ' 3' ' ' VAL . 3.2 t80 -140.33 106.6 5.25 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.207 -0.597 . . . . 0.0 111.48 -178.006 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' L' L ' 27' ' ' THR . . . . . 0.621 ' HB ' ' HG2' ' L' ' 29' ' ' LYS . 14.8 p -127.03 101.38 25.94 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.317 179.18 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' L' L ' 28' ' ' PRO . . . . . 0.657 ' HA ' HG21 ' K' ' 3' ' ' VAL . 49.1 Cg_endo -70.29 -2.74 11.05 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 122.828 2.352 . . . . 0.0 112.618 -179.507 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' L' L ' 29' ' ' LYS . . . . . 0.621 ' HG2' ' HB ' ' L' ' 27' ' ' THR . 0.0 OUTLIER -67.13 167.85 11.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.066 179.496 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' L' L ' 30' ' ' THR . . . . . . . . . . . . . 9.4 m . . . . . 0 C--O 1.247 0.962 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 178.78 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 22' ' ' IPH . . . . . 0.925 ' H2 ' HG23 ' A' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 22' ' ' IPH . . . . . 0.931 ' H2 ' HG23 ' C' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 22' ' ' IPH . . . . . 0.963 ' H2 ' HG23 ' E' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 22' ' ' IPH . . . . . 0.936 ' H2 ' HG23 ' G' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 22' ' ' IPH . . . . . 0.924 ' H2 ' HG23 ' I' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' K' K ' 22' ' ' IPH . . . . . 0.909 ' H2 ' HG23 ' K' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.387 0 N-CA-C 111.66 -0.576 . . . . 0.0 111.66 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.8 tt -142.18 -35.85 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.76 0.314 . . . . 0.0 111.111 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 29.5 m -63.0 -36.45 75.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 -179.23 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -83.4 -2.51 55.97 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.251 0.548 . . . . 0.0 111.516 -179.212 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.43 ' HG2' ' SG ' ' A' ' 11' ' ' CYS . 36.9 tt0 -108.28 -39.89 5.33 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.176 0.512 . . . . 0.0 110.695 179.665 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 72.9 m -90.08 -34.46 15.91 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -178.576 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.641 ' HB2' HD11 ' B' ' 11' ' ' LEU . 15.0 t -91.43 26.97 2.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.059 0.457 . . . . 0.0 111.34 -179.282 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.1 p -126.97 -64.2 1.02 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.0 0.428 . . . . 0.0 110.667 179.1 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.401 ' O ' ' HB ' ' A' ' 10' ' ' ILE . 45.6 m -124.93 12.19 8.39 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.291 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.401 ' HB ' ' O ' ' A' ' 9' ' ' SER . 2.3 mp 70.35 140.28 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-O 121.644 0.735 . . . . 0.0 110.908 -179.533 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.43 ' SG ' ' HG2' ' A' ' 5' ' ' GLN . 92.6 m -93.86 147.91 22.63 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.779 -178.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.4 t -76.4 162.58 27.75 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.278 178.635 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.8 tt -56.32 -44.04 79.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.931 0.396 . . . . 0.0 110.582 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 -67.2 -32.87 74.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.052 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -70.41 -39.79 74.27 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 178.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 94.0 mt -63.83 -38.56 91.55 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.71 179.598 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -65.39 -21.48 66.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.433 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -66.23 -31.5 72.35 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.168 0.509 . . . . 0.0 109.761 178.726 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -93.48 -10.93 33.3 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.508 179.334 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.615 ' HA ' ' HB3' ' B' ' 24' ' ' PHE . 23.1 t -77.14 161.17 28.44 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.634 -179.686 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 34.5 t30 . . . . . 0 C--O 1.243 0.749 0 CA-C-O 118.498 -0.763 . . . . 0.0 110.16 -179.829 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 35.5 t80 . . . . . 0 N--CA 1.478 0.94 0 CA-C-O 120.745 0.307 . . . . 0.0 110.329 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.771 HG22 ' H ' ' B' ' 3' ' ' ASN . 4.4 p -73.1 -175.97 0.19 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 109.849 179.674 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 3' ' ' ASN . . . . . 0.771 ' H ' HG22 ' B' ' 2' ' ' VAL . 25.6 t-20 73.67 -73.7 0.09 Allowed 'General case' 0 C--O 1.212 -0.904 0 C-N-CA 123.055 0.542 . . . . 0.0 109.792 -179.592 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -57.75 -44.5 86.13 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.729 0.3 . . . . 0.0 111.429 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -70.15 -9.32 55.26 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.858 -179.266 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 30.2 mt -112.77 -31.11 6.84 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.725 0.774 . . . . 0.0 110.025 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' CYS . . . . . 0.472 ' HB3' ' O ' ' B' ' 3' ' ' ASN . 0.0 OUTLIER -74.88 -41.68 59.33 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.631 -1.168 . . . . 0.0 110.616 -179.476 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 8' ' ' GLY . . . . . 0.555 ' HA2' ' HG ' ' B' ' 11' ' ' LEU . . . -60.55 -26.84 65.12 Favored Glycine 0 C--N 1.332 0.346 0 C-N-CA 121.007 -0.616 . . . . 0.0 111.773 179.284 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 9' ' ' SER . . . . . 0.507 ' O ' ' HG2' ' D' ' 13' ' ' GLU . 8.6 m -64.33 -19.12 65.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.973 0.416 . . . . 0.0 111.032 179.589 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 10' ' ' HIS . . . . . 0.487 ' HA ' ' HG3' ' B' ' 13' ' ' GLU . 98.8 m-70 -108.38 -15.32 14.49 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.737 0.303 . . . . 0.0 111.378 -179.094 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.641 HD11 ' HB2' ' A' ' 7' ' ' CYS . 36.1 mt -68.18 -34.27 75.98 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 177.803 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.669 ' HA ' ' HB2' ' B' ' 15' ' ' LEU . 2.1 m -68.02 -28.62 41.84 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 CA-C-N 114.924 -1.034 . . . . 0.0 112.133 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.504 ' HG2' ' O ' ' D' ' 9' ' ' SER . 27.0 mt-10 -61.09 -53.52 56.03 Favored 'General case' 0 CA--C 1.519 -0.232 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 179.444 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.05 -27.61 64.79 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.21 -0.904 . . . . 0.0 110.668 179.455 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.669 ' HB2' ' HA ' ' B' ' 12' ' ' VAL . 1.7 mt -56.34 -60.33 3.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.63 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 16' ' ' TYR . . . . . 0.804 ' HB3' ' HE2' ' B' ' 24' ' ' PHE . 0.9 OUTLIER -76.34 -15.62 59.93 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 119.908 -0.717 . . . . 0.0 110.613 -179.324 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.848 HD11 ' H5 ' ' G' ' 22' ' ' IPH . 9.0 tt -67.19 -42.08 84.77 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 178.073 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 53.9 t -68.55 -35.97 72.63 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.446 178.422 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' CYS . . . . . 1.068 ' HB3' ' HB2' ' B' ' 22' ' ' ARG . 74.4 m -73.81 -16.59 61.14 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.236 -0.893 . . . . 0.0 111.683 179.724 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.95 -96.1 0.85 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.994 -0.622 . . . . 0.0 111.72 -179.354 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -108.78 2.9 22.02 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.89 0.376 . . . . 0.0 110.231 178.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' ARG . . . . . 1.068 ' HB2' ' HB3' ' B' ' 19' ' ' CYS . 76.2 mtt180 -79.39 163.72 24.59 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.277 178.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 23' ' ' GLY . . . . . 0.46 ' HA3' HG22 ' D' ' 27' ' ' THR . . . -108.78 -162.19 20.28 Favored Glycine 0 N--CA 1.442 -0.923 0 N-CA-C 110.423 -1.071 . . . . 0.0 110.423 177.65 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 24' ' ' PHE . . . . . 0.804 ' HE2' ' HB3' ' B' ' 16' ' ' TYR . 5.1 p90 -172.48 170.51 4.9 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 117.427 0.613 . . . . 0.0 111.557 179.372 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -115.04 111.14 20.64 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 177.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 81.9 t80 -110.68 118.69 36.87 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.059 -177.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' THR . . . . . 0.499 HG22 ' HA3' ' D' ' 23' ' ' GLY . 3.1 p -123.47 96.63 43.49 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-O 121.241 0.543 . . . . 0.0 110.584 179.654 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -84.56 45.58 1.73 Allowed 'Trans proline' 0 C--O 1.238 0.522 0 C-N-CA 123.18 2.586 . . . . 0.0 113.311 -179.151 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -91.65 135.3 33.98 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.055 0.455 . . . . 0.0 110.475 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 19.6 m . . . . . 0 C--O 1.251 1.181 0 CA-C-O 118.143 -0.932 . . . . 0.0 109.024 179.824 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.525 0 N-CA-C 111.722 -0.551 . . . . 0.0 111.722 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 7.2 tt -140.7 -36.89 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.741 0.305 . . . . 0.0 111.078 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 23.4 m -60.68 -38.98 80.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -179.348 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -81.48 -2.93 51.54 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.116 0.484 . . . . 0.0 111.626 -179.302 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 5' ' ' GLN . . . . . 0.411 ' HG2' ' SG ' ' C' ' 11' ' ' CYS . 36.9 tt0 -107.91 -39.67 5.48 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.127 0.489 . . . . 0.0 110.666 179.727 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 72.7 m -90.57 -34.22 15.59 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -178.57 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 7' ' ' CYS . . . . . 0.623 ' HB2' HD11 ' D' ' 11' ' ' LEU . 13.4 t -91.3 27.18 1.99 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.054 0.454 . . . . 0.0 111.257 -179.416 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 11.0 p -127.48 -64.33 0.99 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.999 0.428 . . . . 0.0 110.862 178.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 9' ' ' SER . . . . . 0.444 ' O ' ' HB ' ' C' ' 10' ' ' ILE . 45.5 m -124.23 10.23 8.66 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.213 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 10' ' ' ILE . . . . . 0.444 ' HB ' ' O ' ' C' ' 9' ' ' SER . 2.3 mp 72.66 140.97 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-O 121.352 0.596 . . . . 0.0 110.556 -179.68 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 11' ' ' CYS . . . . . 0.411 ' SG ' ' HG2' ' C' ' 5' ' ' GLN . 86.4 m -94.84 148.09 22.67 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.794 -0.639 . . . . 0.0 112.06 -178.796 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 29.1 t -76.34 161.48 28.68 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.566 178.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 9.6 tt -55.22 -44.68 75.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.888 0.375 . . . . 0.0 110.74 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -66.92 -32.75 74.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.23 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -70.55 -39.94 73.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.11 0.481 . . . . 0.0 109.778 178.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 94.0 mt -63.83 -37.75 88.54 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.873 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -66.77 -19.93 65.85 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.694 -0.23 . . . . 0.0 111.316 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 25.1 m120 -66.92 -31.75 72.54 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 121.243 0.544 . . . . 0.0 109.719 178.552 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -93.28 -10.77 34.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.641 179.276 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 20' ' ' CYS . . . . . 0.607 ' HA ' ' HB3' ' D' ' 24' ' ' PHE . 24.6 t -77.52 160.6 28.52 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.115 -0.948 . . . . 0.0 110.717 -179.753 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 40.0 t30 . . . . . 0 C--O 1.243 0.72 0 CA-C-O 118.372 -0.823 . . . . 0.0 110.588 -179.573 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 39.6 t80 . . . . . 0 N--CA 1.48 1.033 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 2' ' ' VAL . . . . . 0.756 HG22 ' H ' ' D' ' 3' ' ' ASN . 4.9 p -73.19 -176.36 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 179.593 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 3' ' ' ASN . . . . . 0.756 ' H ' HG22 ' D' ' 2' ' ' VAL . 23.8 t-20 73.98 -73.59 0.1 Allowed 'General case' 0 C--O 1.211 -0.969 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 -179.695 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -57.67 -45.08 86.05 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.743 0.306 . . . . 0.0 111.576 179.541 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 5' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -69.86 -8.94 52.7 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 116.314 -0.403 . . . . 0.0 112.044 -179.184 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 29.6 mt -112.98 -31.79 6.58 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.723 0.773 . . . . 0.0 109.903 179.555 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 7' ' ' CYS . . . . . 0.474 ' HB3' ' O ' ' D' ' 3' ' ' ASN . 0.0 OUTLIER -74.33 -41.36 61.23 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.712 -179.534 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D ' 8' ' ' GLY . . . . . 0.532 ' HA2' ' HG ' ' D' ' 11' ' ' LEU . . . -60.54 -26.82 65.08 Favored Glycine 0 C--N 1.333 0.386 0 C-N-CA 121.185 -0.531 . . . . 0.0 111.878 179.236 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 9' ' ' SER . . . . . 0.504 ' O ' ' HG2' ' B' ' 13' ' ' GLU . 9.1 m -64.72 -19.33 65.71 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.093 0.473 . . . . 0.0 111.097 179.48 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 10' ' ' HIS . . . . . 0.498 ' HA ' ' HG3' ' D' ' 13' ' ' GLU . 98.7 m-70 -108.05 -15.47 14.51 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.427 -179.174 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 11' ' ' LEU . . . . . 0.623 HD11 ' HB2' ' C' ' 7' ' ' CYS . 35.7 mt -68.14 -34.21 75.91 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 177.768 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 12' ' ' VAL . . . . . 0.666 ' HA ' ' HB2' ' D' ' 15' ' ' LEU . 2.0 m -68.0 -28.85 42.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 115.079 -0.964 . . . . 0.0 112.118 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 13' ' ' GLU . . . . . 0.507 ' HG2' ' O ' ' B' ' 9' ' ' SER . 26.2 mt-10 -60.85 -53.72 53.94 Favored 'General case' 0 CA--C 1.52 -0.204 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 179.344 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.0 -27.42 64.68 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.615 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 15' ' ' LEU . . . . . 0.666 ' HB2' ' HA ' ' D' ' 12' ' ' VAL . 1.7 mt -56.59 -60.19 3.91 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.637 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 16' ' ' TYR . . . . . 0.815 ' HB3' ' HE2' ' D' ' 24' ' ' PHE . 0.9 OUTLIER -76.43 -15.7 59.86 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 119.973 -0.691 . . . . 0.0 110.707 -179.233 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D ' 17' ' ' LEU . . . . . 0.833 HD11 ' H5 ' ' I' ' 22' ' ' IPH . 9.0 tt -67.19 -42.82 83.56 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 178.288 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 54.3 t -67.38 -36.45 76.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.428 -0.805 . . . . 0.0 109.498 178.084 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 19' ' ' CYS . . . . . 1.089 ' HB3' ' HB2' ' D' ' 22' ' ' ARG . 76.3 m -73.66 -15.81 61.23 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.687 179.776 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.39 -97.41 0.86 Allowed Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.984 -0.627 . . . . 0.0 111.771 -179.251 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -107.52 1.33 23.32 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.93 0.395 . . . . 0.0 110.389 178.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 22' ' ' ARG . . . . . 1.089 ' HB2' ' HB3' ' D' ' 19' ' ' CYS . 74.5 mtt180 -77.11 165.1 25.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.232 178.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 23' ' ' GLY . . . . . 0.499 ' HA3' HG22 ' B' ' 27' ' ' THR . . . -110.09 -162.02 18.75 Favored Glycine 0 N--CA 1.442 -0.935 0 N-CA-C 110.35 -1.1 . . . . 0.0 110.35 177.343 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 24' ' ' PHE . . . . . 0.815 ' HE2' ' HB3' ' D' ' 16' ' ' TYR . 5.2 p90 -172.77 169.91 4.79 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 117.28 0.54 . . . . 0.0 111.567 179.34 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 25' ' ' PHE . . . . . . . . . . . . . 7.4 p90 -114.49 110.55 20.0 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 177.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 26' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -109.65 119.69 40.17 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.919 -178.059 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 27' ' ' THR . . . . . 0.46 HG22 ' HA3' ' B' ' 23' ' ' GLY . 2.9 p -124.67 96.91 39.97 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-O 121.193 0.52 . . . . 0.0 110.343 179.622 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 28' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -84.43 41.16 0.95 Allowed 'Trans proline' 0 C--O 1.237 0.451 0 C-N-CA 123.393 2.728 . . . . 0.0 113.502 -178.662 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -87.48 136.79 32.8 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.826 0.346 . . . . 0.0 110.449 179.471 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 28.6 m . . . . . 0 C--O 1.252 1.199 0 CA-C-O 118.199 -0.905 . . . . 0.0 109.603 179.529 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.585 0 N-CA-C 111.959 -0.456 . . . . 0.0 111.959 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' E' E ' 2' ' ' ILE . . . . . . . . . . . . . 6.2 tt -142.81 -36.06 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.912 0.387 . . . . 0.0 110.992 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 27.3 m -61.83 -37.57 78.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -179.312 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 4' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -82.46 -3.01 55.02 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.126 0.488 . . . . 0.0 111.552 -179.085 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 5' ' ' GLN . . . . . 0.421 ' HG2' ' SG ' ' E' ' 11' ' ' CYS . 37.9 tt0 -107.95 -39.2 5.6 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.335 0.588 . . . . 0.0 110.87 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 6' ' ' CYS . . . . . . . . . . . . . 75.2 m -91.22 -34.17 15.09 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 112.335 0.494 . . . . 0.0 112.335 -178.339 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 7' ' ' CYS . . . . . 0.618 ' HB2' HD11 ' F' ' 11' ' ' LEU . 14.1 t -91.29 26.59 2.17 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.081 0.467 . . . . 0.0 111.091 -179.409 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 7.1 p -127.13 -64.82 0.98 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.713 179.251 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 9' ' ' SER . . . . . . . . . . . . . 41.9 m -125.08 14.04 8.42 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.015 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 10' ' ' ILE . . . . . . . . . . . . . 2.2 mp 69.33 141.48 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 CA-C-O 121.595 0.712 . . . . 0.0 111.037 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 11' ' ' CYS . . . . . 0.421 ' SG ' ' HG2' ' E' ' 5' ' ' GLN . 93.6 m -95.03 146.98 23.89 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.896 -179.033 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 12' ' ' SER . . . . . 0.407 ' HB3' ' HG3' ' E' ' 15' ' ' GLN . 26.7 t -74.7 162.79 28.39 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.482 178.78 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 9.8 tt -57.3 -43.83 83.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.995 0.426 . . . . 0.0 110.724 179.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -67.01 -32.9 74.43 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.042 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 15' ' ' GLN . . . . . 0.415 ' HA ' ' OD1' ' E' ' 18' ' ' ASN . 86.8 mt-30 -70.24 -40.7 74.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.054 0.454 . . . . 0.0 109.932 179.045 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 16' ' ' LEU . . . . . . . . . . . . . 95.0 mt -62.95 -37.47 87.21 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.774 179.466 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 17' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -66.82 -20.48 65.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.396 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 18' ' ' ASN . . . . . 0.415 ' OD1' ' HA ' ' E' ' 15' ' ' GLN . 26.8 m120 -66.85 -30.8 71.06 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.298 0.571 . . . . 0.0 109.779 178.472 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 19' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -94.44 -9.66 34.88 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.668 179.421 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 20' ' ' CYS . . . . . 0.614 ' HA ' ' HB3' ' F' ' 24' ' ' PHE . 24.2 t -78.4 161.06 27.42 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.675 -179.718 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 21' ' ' ASN . . . . . . . . . . . . . 32.3 t30 . . . . . 0 C--O 1.247 0.952 0 CA-C-O 118.503 -0.761 . . . . 0.0 110.41 -179.686 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' F' F ' 1' ' ' PHE . . . . . . . . . . . . . 38.1 t80 . . . . . 0 N--CA 1.477 0.899 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' F' F ' 2' ' ' VAL . . . . . 0.742 HG22 ' H ' ' F' ' 3' ' ' ASN . 4.3 p -73.95 -176.34 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 109.865 -0.421 . . . . 0.0 109.865 179.747 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' F' F ' 3' ' ' ASN . . . . . 0.742 ' H ' HG22 ' F' ' 2' ' ' VAL . 27.1 t-20 74.05 -73.76 0.09 Allowed 'General case' 0 C--O 1.212 -0.868 0 C-N-CA 122.882 0.473 . . . . 0.0 109.728 -179.708 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' F' F ' 4' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -57.45 -45.83 84.28 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.573 0.225 . . . . 0.0 111.259 179.476 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 5' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -69.11 -8.8 48.74 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -179.21 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 6' ' ' LEU . . . . . . . . . . . . . 30.4 mt -113.18 -31.14 6.72 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.698 0.761 . . . . 0.0 110.012 179.518 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 7' ' ' CYS . . . . . 0.475 ' HB3' ' O ' ' F' ' 3' ' ' ASN . 0.0 OUTLIER -75.09 -41.56 58.45 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.746 -1.116 . . . . 0.0 110.62 -179.509 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' F' F ' 8' ' ' GLY . . . . . 0.546 ' HA2' ' HG ' ' F' ' 11' ' ' LEU . . . -60.37 -26.58 64.33 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.996 -0.621 . . . . 0.0 111.957 179.041 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' F' F ' 9' ' ' SER . . . . . 0.497 ' O ' ' HG2' ' H' ' 13' ' ' GLU . 9.3 m -64.72 -19.21 65.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.059 0.457 . . . . 0.0 111.042 179.566 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' F' F ' 10' ' ' HIS . . . . . 0.505 ' HA ' ' HG3' ' F' ' 13' ' ' GLU . 99.0 m-70 -108.36 -15.55 14.44 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.443 -179.144 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' F' F ' 11' ' ' LEU . . . . . 0.618 HD11 ' HB2' ' E' ' 7' ' ' CYS . 36.1 mt -67.86 -34.42 76.67 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 177.601 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' F' F ' 12' ' ' VAL . . . . . 0.66 ' HA ' ' HB2' ' F' ' 15' ' ' LEU . 1.9 m -67.82 -28.47 41.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-N 115.046 -0.979 . . . . 0.0 112.296 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' F' F ' 13' ' ' GLU . . . . . 0.505 ' HG3' ' HA ' ' F' ' 10' ' ' HIS . 25.7 mt-10 -61.24 -53.45 56.67 Favored 'General case' 0 CA--C 1.519 -0.236 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 179.382 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' F' F ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.13 -27.38 64.52 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.635 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 15' ' ' LEU . . . . . 0.66 ' HB2' ' HA ' ' F' ' 12' ' ' VAL . 1.6 mt -57.0 -60.3 3.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.455 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' F' F ' 16' ' ' TYR . . . . . 0.829 ' HB3' ' HE2' ' F' ' 24' ' ' PHE . 0.8 OUTLIER -76.43 -15.51 59.91 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 119.845 -0.742 . . . . 0.0 110.68 -179.337 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' F' F ' 17' ' ' LEU . . . . . 0.858 HD11 ' H5 ' ' K' ' 22' ' ' IPH . 9.0 tt -67.19 -42.05 84.86 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 178.109 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 53.7 t -68.14 -37.19 77.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.362 178.256 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 19' ' ' CYS . . . . . 1.14 ' HB3' ' HB2' ' F' ' 22' ' ' ARG . 74.1 m -72.7 -16.58 61.67 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.395 -0.821 . . . . 0.0 111.785 179.696 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' F' F ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.6 -95.28 0.88 Allowed Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.975 -0.631 . . . . 0.0 111.802 -179.52 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 21' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -110.01 2.39 19.6 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.903 0.382 . . . . 0.0 110.226 178.701 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 22' ' ' ARG . . . . . 1.14 ' HB2' ' HB3' ' F' ' 19' ' ' CYS . 75.6 mtt180 -77.9 164.59 25.01 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.083 178.697 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' F' F ' 23' ' ' GLY . . . . . 0.469 ' HA3' HG22 ' H' ' 27' ' ' THR . . . -110.09 -162.13 18.8 Favored Glycine 0 N--CA 1.441 -0.976 0 N-CA-C 110.192 -1.163 . . . . 0.0 110.192 177.551 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' F' F ' 24' ' ' PHE . . . . . 0.829 ' HE2' ' HB3' ' F' ' 16' ' ' TYR . 5.3 p90 -172.3 170.39 5.09 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 117.517 0.659 . . . . 0.0 111.549 179.425 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' F' F ' 25' ' ' PHE . . . . . . . . . . . . . 7.6 p90 -114.98 110.28 19.38 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 177.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 26' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -109.58 119.32 39.04 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.974 -177.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 27' ' ' THR . . . . . 0.477 HG22 ' HA3' ' H' ' 23' ' ' GLY . 3.1 p -124.21 96.65 41.6 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-O 121.114 0.483 . . . . 0.0 110.527 179.574 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' F' F ' 28' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -84.36 45.16 1.66 Allowed 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 123.406 2.737 . . . . 0.0 113.13 -179.276 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 29' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -91.56 134.69 34.45 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.86 0.362 . . . . 0.0 110.475 179.618 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 30' ' ' THR . . . . . . . . . . . . . 23.2 m . . . . . 0 C--O 1.25 1.128 0 CA-C-O 117.964 -1.017 . . . . 0.0 109.275 179.684 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' G' G ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.037 0 N-CA-C 112.016 -0.434 . . . . 0.0 112.016 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' G' G ' 2' ' ' ILE . . . . . . . . . . . . . 6.7 tt -138.51 -36.62 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 O-C-N 122.77 -0.253 . . . . 0.0 111.163 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 25.4 m -60.77 -38.43 78.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -179.37 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 4' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -82.04 -1.99 50.27 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.944 0.402 . . . . 0.0 111.55 -179.218 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 5' ' ' GLN . . . . . 0.419 ' HG2' ' SG ' ' G' ' 11' ' ' CYS . 37.4 tt0 -108.82 -40.11 5.14 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 120.986 0.422 . . . . 0.0 110.663 179.564 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' G' G ' 6' ' ' CYS . . . . . . . . . . . . . 75.7 m -90.18 -33.98 16.0 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -178.563 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 7' ' ' CYS . . . . . 0.642 ' HB2' HD11 ' H' ' 11' ' ' LEU . 14.2 t -91.38 26.0 2.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.139 0.495 . . . . 0.0 111.472 -179.408 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' G' G ' 8' ' ' THR . . . . . . . . . . . . . 6.6 p -126.42 -63.96 1.06 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.969 0.414 . . . . 0.0 110.65 179.114 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 9' ' ' SER . . . . . . . . . . . . . 42.7 m -125.89 14.02 7.96 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.356 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 10' ' ' ILE . . . . . . . . . . . . . 2.2 mp 69.36 140.53 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 CA-C-O 121.697 0.761 . . . . 0.0 110.991 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 11' ' ' CYS . . . . . 0.419 ' SG ' ' HG2' ' G' ' 5' ' ' GLN . 94.6 m -94.56 146.85 23.83 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.831 -179.032 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' G' G ' 12' ' ' SER . . . . . . . . . . . . . 30.3 t -75.39 161.45 29.23 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.47 -0.787 . . . . 0.0 109.461 178.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 13' ' ' LEU . . . . . . . . . . . . . 10.0 tt -55.85 -43.97 77.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.949 0.404 . . . . 0.0 110.697 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -67.31 -32.19 72.99 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.074 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -71.06 -39.5 72.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.895 0.379 . . . . 0.0 110.094 178.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 16' ' ' LEU . . . . . . . . . . . . . 94.3 mt -63.97 -38.08 89.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.676 179.403 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 17' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -65.83 -21.45 66.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.415 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 18' ' ' ASN . . . . . . . . . . . . . 25.9 m120 -66.2 -31.99 73.15 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.339 0.59 . . . . 0.0 109.781 178.527 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 19' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -93.03 -10.6 35.62 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.782 179.346 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 20' ' ' CYS . . . . . 0.597 ' HA ' ' HB3' ' H' ' 24' ' ' PHE . 23.0 t -77.07 162.65 27.33 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.208 -0.906 . . . . 0.0 110.667 -179.803 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' G' G ' 21' ' ' ASN . . . . . . . . . . . . . 38.4 t30 . . . . . 0 C--O 1.245 0.834 0 CA-C-O 118.577 -0.725 . . . . 0.0 110.263 -179.722 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' H' H ' 1' ' ' PHE . . . . . . . . . . . . . 42.5 t80 . . . . . 0 N--CA 1.479 1.009 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' H' H ' 2' ' ' VAL . . . . . 0.759 HG22 ' H ' ' H' ' 3' ' ' ASN . 4.6 p -72.68 -176.91 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 179.628 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' H' H ' 3' ' ' ASN . . . . . 0.759 ' H ' HG22 ' H' ' 2' ' ' VAL . 27.5 t-20 74.59 -73.57 0.09 Allowed 'General case' 0 C--O 1.213 -0.84 0 C-N-CA 123.055 0.542 . . . . 0.0 109.561 -179.553 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' H' H ' 4' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -58.14 -44.46 87.85 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.76 0.314 . . . . 0.0 111.545 179.459 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' H' H ' 5' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -70.13 -8.99 54.13 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -179.232 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' H' H ' 6' ' ' LEU . . . . . . . . . . . . . 30.0 mt -113.06 -31.7 6.58 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.67 0.747 . . . . 0.0 110.011 179.565 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' H' H ' 7' ' ' CYS . . . . . 0.485 ' HB3' ' O ' ' H' ' 3' ' ' ASN . 0.0 OUTLIER -74.16 -41.9 60.76 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 114.889 -1.051 . . . . 0.0 110.621 -179.528 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' H' H ' 8' ' ' GLY . . . . . 0.562 ' HA2' ' HG ' ' H' ' 11' ' ' LEU . . . -60.22 -27.17 64.83 Favored Glycine 0 C--N 1.333 0.372 0 C-N-CA 121.06 -0.591 . . . . 0.0 111.939 179.329 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' H' H ' 9' ' ' SER . . . . . 0.493 ' O ' ' HG2' ' F' ' 13' ' ' GLU . 8.9 m -64.19 -19.0 65.03 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.113 0.482 . . . . 0.0 110.897 179.592 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' H' H ' 10' ' ' HIS . . . . . 0.506 ' HA ' ' HG3' ' H' ' 13' ' ' GLU . 98.7 m-70 -108.51 -15.08 14.52 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.49 -179.232 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' H' H ' 11' ' ' LEU . . . . . 0.642 HD11 ' HB2' ' G' ' 7' ' ' CYS . 36.3 mt -68.45 -34.31 75.73 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 177.797 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' H' H ' 12' ' ' VAL . . . . . 0.65 ' HA ' ' HB2' ' H' ' 15' ' ' LEU . 2.2 m -67.51 -29.18 44.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 114.92 -1.037 . . . . 0.0 112.169 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' H' H ' 13' ' ' GLU . . . . . 0.506 ' HG3' ' HA ' ' H' ' 10' ' ' HIS . 25.8 mt-10 -60.62 -53.98 50.92 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-O 121.392 0.615 . . . . 0.0 109.486 179.33 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' H' H ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.83 -27.64 65.03 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.21 -0.904 . . . . 0.0 110.662 179.459 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' H' H ' 15' ' ' LEU . . . . . 0.65 ' HB2' ' HA ' ' H' ' 12' ' ' VAL . 1.7 mt -56.62 -60.11 4.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.753 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' H' H ' 16' ' ' TYR . . . . . 0.83 ' HB3' ' HE2' ' H' ' 24' ' ' PHE . 0.9 OUTLIER -76.46 -15.8 59.82 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 119.914 -0.715 . . . . 0.0 110.538 -179.347 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' H' H ' 17' ' ' LEU . . . . . 0.836 HD11 ' H5 ' ' A' ' 22' ' ' IPH . 9.0 tt -66.56 -43.62 84.52 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 177.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 54.8 t -66.65 -38.1 80.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.468 178.079 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' H' H ' 19' ' ' CYS . . . . . 1.034 ' HB3' ' HB2' ' H' ' 22' ' ' ARG . 74.7 m -71.68 -16.68 62.26 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.756 179.568 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' H' H ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.09 -97.38 0.93 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 121.053 -0.594 . . . . 0.0 111.626 -179.193 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' H' H ' 21' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -108.24 3.76 23.96 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.846 0.355 . . . . 0.0 110.447 178.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' H' H ' 22' ' ' ARG . . . . . 1.034 ' HB2' ' HB3' ' H' ' 19' ' ' CYS . 74.9 mtt180 -79.08 165.47 23.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.037 178.661 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' H' H ' 23' ' ' GLY . . . . . 0.477 ' HA3' HG22 ' F' ' 27' ' ' THR . . . -110.67 -162.27 18.18 Favored Glycine 0 N--CA 1.444 -0.807 0 N-CA-C 110.338 -1.105 . . . . 0.0 110.338 177.349 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' H' H ' 24' ' ' PHE . . . . . 0.83 ' HE2' ' HB3' ' H' ' 16' ' ' TYR . 5.1 p90 -172.42 170.34 4.99 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 117.562 0.681 . . . . 0.0 111.567 179.395 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' H' H ' 25' ' ' PHE . . . . . . . . . . . . . 6.9 p90 -114.88 110.6 19.91 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 177.707 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' H' H ' 26' ' ' TYR . . . . . . . . . . . . . 81.9 t80 -109.88 118.72 37.22 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.061 -177.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' H' H ' 27' ' ' THR . . . . . 0.469 HG22 ' HA3' ' F' ' 23' ' ' GLY . 3.4 p -123.14 96.49 44.5 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-O 121.058 0.456 . . . . 0.0 110.422 179.465 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' H' H ' 28' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -84.24 44.36 1.52 Allowed 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 123.273 2.648 . . . . 0.0 113.208 -179.24 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' H' H ' 29' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -90.79 135.86 33.44 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.879 0.371 . . . . 0.0 110.3 179.541 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' H' H ' 30' ' ' THR . . . . . . . . . . . . . 25.9 m . . . . . 0 C--O 1.249 1.035 0 CA-C-O 117.97 -1.014 . . . . 0.0 109.136 179.586 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' I' I ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.766 0 N-CA-C 111.485 -0.646 . . . . 0.0 111.485 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' I' I ' 2' ' ' ILE . . . . . . . . . . . . . 6.5 tt -139.88 -35.94 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.627 0.251 . . . . 0.0 111.073 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 3' ' ' VAL . . . . . . . . . . . . . 23.0 m -61.3 -39.08 81.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -179.278 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 4' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -81.06 -3.06 50.61 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.156 0.503 . . . . 0.0 111.687 -179.047 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 5' ' ' GLN . . . . . 0.406 ' HG2' ' SG ' ' I' ' 11' ' ' CYS . 37.9 tt0 -107.83 -40.04 5.38 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.22 0.533 . . . . 0.0 110.715 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' I' I ' 6' ' ' CYS . . . . . . . . . . . . . 74.6 m -90.29 -34.24 15.82 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -178.478 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 7' ' ' CYS . . . . . 0.615 ' HB2' HD11 ' J' ' 11' ' ' LEU . 13.7 t -91.21 26.51 2.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.192 0.52 . . . . 0.0 111.224 -179.36 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' I' I ' 8' ' ' THR . . . . . . . . . . . . . 9.7 p -126.99 -64.31 1.01 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.928 0.394 . . . . 0.0 110.594 179.198 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 9' ' ' SER . . . . . . . . . . . . . 49.8 m -125.41 13.2 8.19 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.379 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 10' ' ' ILE . . . . . . . . . . . . . 2.2 mp 70.18 140.62 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-O 121.662 0.744 . . . . 0.0 111.042 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 11' ' ' CYS . . . . . 0.406 ' SG ' ' HG2' ' I' ' 5' ' ' GLN . 87.1 m -94.51 146.07 24.35 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.926 -178.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' I' I ' 12' ' ' SER . . . . . . . . . . . . . 35.9 t -74.76 162.23 28.88 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.52 178.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 13' ' ' LEU . . . . . . . . . . . . . 9.8 tt -55.85 -44.49 78.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.875 0.369 . . . . 0.0 110.746 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -67.05 -31.47 72.0 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.352 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -71.79 -39.95 69.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.002 0.429 . . . . 0.0 109.915 178.747 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 16' ' ' LEU . . . . . . . . . . . . . 94.7 mt -63.31 -38.34 90.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.678 179.297 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 17' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -65.83 -20.12 66.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.492 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 18' ' ' ASN . . . . . . . . . . . . . 24.9 m120 -66.99 -32.53 73.83 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 121.284 0.564 . . . . 0.0 109.524 178.568 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 19' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -92.85 -10.25 37.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.82 179.694 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 20' ' ' CYS . . . . . 0.609 ' HA ' ' HB3' ' J' ' 24' ' ' PHE . 24.7 t -77.31 162.87 26.97 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.164 -0.926 . . . . 0.0 110.5 -179.633 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' I' I ' 21' ' ' ASN . . . . . . . . . . . . . 35.2 t30 . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.615 -0.707 . . . . 0.0 110.466 -179.524 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' J' J ' 1' ' ' PHE . . . . . . . . . . . . . 39.3 t80 . . . . . 0 N--CA 1.479 1.014 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' J' J ' 2' ' ' VAL . . . . . 0.757 HG22 ' H ' ' J' ' 3' ' ' ASN . 4.3 p -73.0 -176.56 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 179.631 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' J' J ' 3' ' ' ASN . . . . . 0.757 ' H ' HG22 ' J' ' 2' ' ' VAL . 24.5 t-20 73.86 -73.41 0.1 Allowed 'General case' 0 C--O 1.212 -0.89 0 C-N-CA 123.053 0.541 . . . . 0.0 109.729 -179.615 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' J' J ' 4' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -57.93 -44.84 87.13 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.697 0.284 . . . . 0.0 111.49 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' J' J ' 5' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -69.88 -8.87 52.18 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.895 -179.262 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' J' J ' 6' ' ' LEU . . . . . . . . . . . . . 30.0 mt -113.43 -30.59 6.83 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.772 0.796 . . . . 0.0 110.029 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' J' J ' 7' ' ' CYS . . . . . 0.49 ' HB3' ' O ' ' J' ' 3' ' ' ASN . 0.0 OUTLIER -75.57 -41.24 55.22 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 114.776 -1.102 . . . . 0.0 110.655 -179.439 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' J' J ' 8' ' ' GLY . . . . . 0.588 ' HA2' ' HG ' ' J' ' 11' ' ' LEU . . . -61.07 -26.09 65.25 Favored Glycine 0 C--N 1.331 0.282 0 C-N-CA 121.055 -0.593 . . . . 0.0 111.885 179.202 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' J' J ' 9' ' ' SER . . . . . 0.511 ' O ' ' HG2' ' L' ' 13' ' ' GLU . 9.1 m -64.96 -18.94 65.7 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.072 0.463 . . . . 0.0 110.884 179.539 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' J' J ' 10' ' ' HIS . . . . . 0.492 ' HA ' ' HG3' ' J' ' 13' ' ' GLU . 99.0 m-70 -108.6 -15.21 14.48 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 120.844 -0.342 . . . . 0.0 111.513 -179.271 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' J' J ' 11' ' ' LEU . . . . . 0.615 HD11 ' HB2' ' I' ' 7' ' ' CYS . 37.8 mt -68.33 -34.01 75.33 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 177.83 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' J' J ' 12' ' ' VAL . . . . . 0.648 ' HA ' ' HB2' ' J' ' 15' ' ' LEU . 2.0 m -68.01 -28.68 42.07 Favored 'Isoleucine or valine' 0 C--O 1.232 0.147 0 CA-C-N 115.031 -0.986 . . . . 0.0 112.129 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' J' J ' 13' ' ' GLU . . . . . 0.498 ' HG2' ' O ' ' L' ' 9' ' ' SER . 26.0 mt-10 -61.0 -53.52 56.25 Favored 'General case' 0 CA--C 1.517 -0.323 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 179.342 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' J' J ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.35 -27.11 64.09 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.62 179.436 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' J' J ' 15' ' ' LEU . . . . . 0.648 ' HB2' ' HA ' ' J' ' 12' ' ' VAL . 1.7 mt -57.0 -60.46 3.55 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.598 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' J' J ' 16' ' ' TYR . . . . . 0.79 ' HB3' ' HE2' ' J' ' 24' ' ' PHE . 0.9 OUTLIER -76.26 -15.38 60.02 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 119.78 -0.768 . . . . 0.0 110.651 -179.275 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' J' J ' 17' ' ' LEU . . . . . 0.86 HD11 ' H5 ' ' C' ' 22' ' ' IPH . 9.1 tt -67.37 -41.92 84.26 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 178.075 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 53.2 t -68.57 -36.17 73.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.264 178.244 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' J' J ' 19' ' ' CYS . . . . . 1.102 ' HB3' ' HB2' ' J' ' 22' ' ' ARG . 75.9 m -74.07 -14.85 61.06 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.76 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' J' J ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.84 -95.48 0.72 Allowed Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 121.038 -0.601 . . . . 0.0 111.685 -179.463 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' J' J ' 21' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -109.34 1.76 20.27 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.856 0.36 . . . . 0.0 110.276 178.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' J' J ' 22' ' ' ARG . . . . . 1.102 ' HB2' ' HB3' ' J' ' 19' ' ' CYS . 73.2 mtt180 -77.51 164.61 25.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.225 178.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' J' J ' 23' ' ' GLY . . . . . 0.502 ' HA3' HG22 ' L' ' 27' ' ' THR . . . -109.68 -162.24 19.31 Favored Glycine 0 N--CA 1.442 -0.943 0 N-CA-C 110.251 -1.14 . . . . 0.0 110.251 177.485 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' J' J ' 24' ' ' PHE . . . . . 0.79 ' HE2' ' HB3' ' J' ' 16' ' ' TYR . 5.2 p90 -172.42 170.15 5.05 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 117.428 0.614 . . . . 0.0 111.441 179.271 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' J' J ' 25' ' ' PHE . . . . . . . . . . . . . 7.5 p90 -115.08 109.67 18.4 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 177.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' J' J ' 26' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -108.85 118.74 37.59 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.017 -177.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' J' J ' 27' ' ' THR . . . . . 0.499 HG22 ' HA3' ' L' ' 23' ' ' GLY . 2.5 p -123.54 97.4 42.2 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-O 121.114 0.483 . . . . 0.0 110.293 179.415 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' J' J ' 28' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -85.22 43.43 1.25 Allowed 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 123.191 2.594 . . . . 0.0 113.377 -178.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' J' J ' 29' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -89.85 135.91 33.36 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.956 0.408 . . . . 0.0 110.31 179.586 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' J' J ' 30' ' ' THR . . . . . . . . . . . . . 31.5 m . . . . . 0 C--O 1.251 1.16 0 CA-C-O 118.567 -0.73 . . . . 0.0 109.927 179.784 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.822 0 N-CA-C 111.721 -0.552 . . . . 0.0 111.721 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' K' K ' 2' ' ' ILE . . . . . . . . . . . . . 7.3 tt -140.45 -36.27 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.812 0.339 . . . . 0.0 111.311 -179.161 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' K' K ' 3' ' ' VAL . . . . . . . . . . . . . 23.8 m -61.4 -39.09 81.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 112.559 0.578 . . . . 0.0 112.559 -179.081 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' K' K ' 4' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -81.95 -0.78 45.53 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.025 0.44 . . . . 0.0 111.527 -179.21 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' K' K ' 5' ' ' GLN . . . . . 0.423 ' HG2' ' SG ' ' K' ' 11' ' ' CYS . 37.8 tt0 -109.69 -39.57 5.08 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 121.171 0.51 . . . . 0.0 110.383 179.782 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' K' K ' 6' ' ' CYS . . . . . . . . . . . . . 72.8 m -90.65 -34.43 15.44 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.355 -178.595 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' K' K ' 7' ' ' CYS . . . . . 0.617 ' HB2' HD11 ' L' ' 11' ' ' LEU . 13.3 t -91.07 26.75 2.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.183 0.516 . . . . 0.0 111.226 -179.462 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' K' K ' 8' ' ' THR . . . . . . . . . . . . . 6.8 p -126.9 -63.9 1.04 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.715 179.264 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' K' K ' 9' ' ' SER . . . . . . . . . . . . . 51.0 m -126.89 14.98 7.44 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.259 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' K' K ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 mp 68.85 141.0 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 CA-C-O 121.715 0.769 . . . . 0.0 111.13 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' K' K ' 11' ' ' CYS . . . . . 0.423 ' SG ' ' HG2' ' K' ' 5' ' ' GLN . 88.3 m -95.11 146.67 24.13 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.807 -178.826 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' K' K ' 12' ' ' SER . . . . . . . . . . . . . 45.1 t -75.35 163.46 27.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.628 178.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' K' K ' 13' ' ' LEU . . . . . . . . . . . . . 9.6 tt -56.88 -44.45 82.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.928 0.394 . . . . 0.0 110.67 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -67.33 -31.18 71.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.255 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -71.65 -40.51 69.64 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 178.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' K' K ' 16' ' ' LEU . . . . . . . . . . . . . 94.5 mt -63.21 -37.63 87.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.841 179.405 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' K' K ' 17' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -66.41 -21.03 66.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.139 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' K' K ' 18' ' ' ASN . . . . . . . . . . . . . 24.5 m120 -66.3 -32.38 73.75 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 178.613 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' K' K ' 19' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -92.88 -10.84 35.17 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.738 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' K' K ' 20' ' ' CYS . . . . . 0.604 ' HA ' ' HB3' ' L' ' 24' ' ' PHE . 25.2 t -77.36 161.34 28.11 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.517 -179.777 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' K' K ' 21' ' ' ASN . . . . . . . . . . . . . 43.6 t30 . . . . . 0 C--O 1.246 0.918 0 CA-C-O 118.634 -0.698 . . . . 0.0 110.57 -179.728 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' L' L ' 1' ' ' PHE . . . . . . . . . . . . . 37.5 t80 . . . . . 0 N--CA 1.48 1.032 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' L' L ' 2' ' ' VAL . . . . . 0.769 HG22 ' H ' ' L' ' 3' ' ' ASN . 4.5 p -73.95 -176.28 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 179.52 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' L' L ' 3' ' ' ASN . . . . . 0.769 ' H ' HG22 ' L' ' 2' ' ' VAL . 24.3 t-20 74.05 -73.29 0.1 Allowed 'General case' 0 C--O 1.213 -0.838 0 C-N-CA 123.108 0.563 . . . . 0.0 109.897 -179.672 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' L' L ' 4' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -58.06 -44.59 87.58 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.847 0.356 . . . . 0.0 111.509 179.457 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' L' L ' 5' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -70.43 -8.8 53.72 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.749 -179.294 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' L' L ' 6' ' ' LEU . . . . . . . . . . . . . 29.7 mt -113.24 -30.32 6.97 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.664 0.745 . . . . 0.0 110.15 179.525 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' L' L ' 7' ' ' CYS . . . . . 0.491 ' HB3' ' O ' ' L' ' 3' ' ' ASN . 0.0 OUTLIER -75.64 -41.87 52.97 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.857 -1.065 . . . . 0.0 110.617 -179.389 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' L' L ' 8' ' ' GLY . . . . . 0.566 ' HA2' ' HG ' ' L' ' 11' ' ' LEU . . . -60.17 -27.14 64.65 Favored Glycine 0 C--N 1.331 0.299 0 C-N-CA 121.115 -0.564 . . . . 0.0 112.01 179.197 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' L' L ' 9' ' ' SER . . . . . 0.498 ' O ' ' HG2' ' J' ' 13' ' ' GLU . 7.5 m -64.07 -19.21 65.07 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.09 0.471 . . . . 0.0 110.932 179.413 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' L' L ' 10' ' ' HIS . . . . . 0.489 ' HA ' ' HG3' ' L' ' 13' ' ' GLU . 98.7 m-70 -108.35 -15.35 14.49 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.484 -179.195 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' L' L ' 11' ' ' LEU . . . . . 0.617 HD11 ' HB2' ' K' ' 7' ' ' CYS . 38.4 mt -68.32 -34.13 75.57 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 177.76 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' L' L ' 12' ' ' VAL . . . . . 0.648 ' HA ' ' HB2' ' L' ' 15' ' ' LEU . 2.1 m -68.12 -28.69 41.91 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-N 115.06 -0.973 . . . . 0.0 112.214 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' L' L ' 13' ' ' GLU . . . . . 0.511 ' HG2' ' O ' ' J' ' 9' ' ' SER . 25.9 mt-10 -60.7 -53.69 54.35 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.283 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' L' L ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.13 -27.25 64.42 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.743 179.435 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' L' L ' 15' ' ' LEU . . . . . 0.648 ' HB2' ' HA ' ' L' ' 12' ' ' VAL . 1.7 mt -56.99 -60.62 3.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.496 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' L' L ' 16' ' ' TYR . . . . . 0.8 ' HB3' ' HE2' ' L' ' 24' ' ' PHE . 0.8 OUTLIER -75.91 -15.5 60.18 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 120.0 -0.68 . . . . 0.0 110.717 -179.289 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' L' L ' 17' ' ' LEU . . . . . 0.862 HD11 ' H5 ' ' E' ' 22' ' ' IPH . 9.1 tt -67.1 -43.32 82.81 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 178.002 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 53.6 t -66.75 -37.78 80.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.495 178.145 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' L' L ' 19' ' ' CYS . . . . . 1.122 ' HB3' ' HB2' ' L' ' 22' ' ' ARG . 74.2 m -71.74 -17.65 62.18 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.662 179.528 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' L' L ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.31 -95.44 0.96 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 121.014 -0.612 . . . . 0.0 111.606 -179.357 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' L' L ' 21' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -110.32 3.56 19.97 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-O 120.952 0.406 . . . . 0.0 110.319 178.684 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' L' L ' 22' ' ' ARG . . . . . 1.122 ' HB2' ' HB3' ' L' ' 19' ' ' CYS . 73.0 mtt180 -79.52 163.9 24.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.938 -0.573 . . . . 0.0 109.898 178.675 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' L' L ' 23' ' ' GLY . . . . . 0.499 ' HA3' HG22 ' J' ' 27' ' ' THR . . . -109.14 -162.4 19.96 Favored Glycine 0 N--CA 1.442 -0.915 0 N-CA-C 110.548 -1.021 . . . . 0.0 110.548 177.466 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' L' L ' 24' ' ' PHE . . . . . 0.8 ' HE2' ' HB3' ' L' ' 16' ' ' TYR . 5.3 p90 -171.87 170.75 5.36 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 117.477 0.638 . . . . 0.0 111.424 179.423 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' L' L ' 25' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -115.25 110.6 19.69 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 177.66 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' L' L ' 26' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -109.8 118.79 37.43 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.063 -177.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' L' L ' 27' ' ' THR . . . . . 0.502 HG22 ' HA3' ' J' ' 23' ' ' GLY . 4.1 p -123.64 97.09 42.39 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-O 121.265 0.555 . . . . 0.0 110.677 179.436 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' L' L ' 28' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -84.92 44.38 1.45 Allowed 'Trans proline' 0 C--O 1.236 0.419 0 C-N-CA 123.31 2.673 . . . . 0.0 113.297 -178.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' L' L ' 29' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -90.2 136.66 32.91 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.075 179.41 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' L' L ' 30' ' ' THR . . . . . . . . . . . . . 29.5 m . . . . . 0 C--O 1.248 0.992 0 CA-C-O 118.021 -0.99 . . . . 0.0 109.489 179.766 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 22' ' ' IPH . . . . . 0.836 ' H5 ' HD11 ' H' ' 17' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 22' ' ' IPH . . . . . 0.86 ' H5 ' HD11 ' J' ' 17' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 22' ' ' IPH . . . . . 0.862 ' H5 ' HD11 ' L' ' 17' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 22' ' ' IPH . . . . . 0.848 ' H5 ' HD11 ' B' ' 17' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 22' ' ' IPH . . . . . 0.833 ' H5 ' HD11 ' D' ' 17' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' K' K ' 22' ' ' IPH . . . . . 0.858 ' H5 ' HD11 ' F' ' 17' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.48 0 N-CA-C 111.651 -0.58 . . . . 0.0 111.651 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.746 HG23 ' H ' ' A' ' 3' ' ' VAL . 14.6 tt 43.18 -78.99 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 C-N-CA 125.006 1.322 . . . . 0.0 114.407 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.746 ' H ' HG23 ' A' ' 2' ' ' ILE . 6.7 t -53.09 -78.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.074 0.464 . . . . 0.0 111.801 -179.471 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -82.84 44.77 0.94 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 122.017 0.913 . . . . 0.0 110.704 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -128.72 -32.81 2.1 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 113.574 -1.648 . . . . 0.0 107.196 178.513 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.482 ' HA ' ' O ' ' A' ' 9' ' ' SER . 70.1 m -107.9 -22.18 12.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 114.335 -1.302 . . . . 0.0 111.136 -179.617 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 50.5 t -81.41 -36.82 29.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.22 0.533 . . . . 0.0 109.844 179.314 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.446 ' O ' HG11 ' F' ' 2' ' ' VAL . 3.8 p -82.11 -12.89 57.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.388 179.362 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.482 ' O ' ' HA ' ' A' ' 6' ' ' CYS . 6.0 p -167.37 110.53 0.67 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.161 -0.927 . . . . 0.0 108.946 179.761 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.597 HD13 ' HA ' ' F' ' 2' ' ' VAL . 1.8 mp -48.07 124.63 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 123.813 0.695 . . . . 0.0 111.938 -178.31 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 84.6 m -87.43 153.92 21.06 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.486 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.7 t -71.83 155.27 40.6 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 178.266 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.8 tt -56.11 -36.13 67.85 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.92 0.391 . . . . 0.0 110.444 -179.681 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -67.5 -34.08 76.4 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.867 179.709 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -69.93 -42.03 73.82 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 178.534 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.593 ' HB3' HD23 ' B' ' 15' ' ' LEU . 82.4 mt -67.56 -33.67 75.51 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.944 178.814 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -62.43 -23.18 66.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.014 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 29.8 m120 -65.42 -20.95 66.59 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.986 0.422 . . . . 0.0 110.759 178.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.474 ' CD1' HD12 ' A' ' 2' ' ' ILE . 32.5 m-85 -106.12 12.33 30.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.413 -179.729 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 48.9 t -95.88 106.18 18.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.208 -179.578 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.538 ' H ' ' HA ' ' B' ' 24' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--O 1.252 1.199 0 CA-C-O 118.073 -0.965 . . . . 0.0 112.416 179.091 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 5.3 t80 . . . . . 0 N--CA 1.48 1.052 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.644 ' O ' ' HG ' ' B' ' 6' ' ' LEU . 18.0 m -65.98 -48.89 80.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -177.123 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 59.2 m-20 -65.22 -23.87 67.19 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 121.96 -0.462 . . . . 0.0 110.52 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' GLN . . . . . 0.555 ' HG3' HG11 ' A' ' 3' ' ' VAL . 38.1 tt0 -64.28 -35.87 82.24 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.329 0.585 . . . . 0.0 110.048 178.54 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 68.4 t60 -89.59 -22.15 22.49 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.386 -179.438 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.644 ' HG ' ' O ' ' B' ' 2' ' ' VAL . 21.8 mt -97.1 -70.82 0.7 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.318 0.58 . . . . 0.0 110.744 -179.6 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 32.3 t -60.89 -35.36 76.45 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.053 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.97 -30.87 64.0 Favored Glycine 0 N--CA 1.45 -0.382 0 CA-C-N 116.076 -0.511 . . . . 0.0 112.95 179.677 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' SER . . . . . 0.439 ' HB3' ' HG2' ' D' ' 13' ' ' GLU . 15.2 m -72.51 -3.01 21.92 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.692 0.282 . . . . 0.0 111.55 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 -117.19 -11.09 10.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.766 0.317 . . . . 0.0 111.098 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.624 HD22 ' H5 ' ' A' ' 22' ' ' IPH . 46.0 mt -70.2 -23.48 62.95 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 178.284 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.897 HG21 HG21 ' D' ' 12' ' ' VAL . 3.5 m -64.44 -37.89 81.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 114.803 -1.09 . . . . 0.0 111.042 178.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.48 ' O ' ' HG ' ' B' ' 17' ' ' LEU . 29.2 mt-10 -61.75 -37.83 85.7 Favored 'General case' 0 C--O 1.232 0.156 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 179.741 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.402 ' O ' HG23 ' B' ' 18' ' ' VAL . . . -62.85 -47.05 85.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.051 178.452 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.593 HD23 ' HB3' ' A' ' 16' ' ' LEU . 54.7 mt -64.68 -44.7 89.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.512 0.673 . . . . 0.0 109.997 178.688 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 16' ' ' TYR . . . . . 0.433 ' HB2' ' O ' ' B' ' 12' ' ' VAL . 0.7 OUTLIER -54.11 -45.56 71.91 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.659 -1.155 . . . . 0.0 111.993 -179.033 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.752 HD12 HD12 ' H' ' 17' ' ' LEU . 75.3 mt -67.87 -33.39 74.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.132 -179.735 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.402 HG23 ' O ' ' B' ' 14' ' ' ALA . 72.3 t -71.11 -44.89 74.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.002 178.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 19' ' ' CYS . . . . . 0.86 ' HB3' ' HB3' ' B' ' 22' ' ' ARG . 77.7 m -67.69 -52.4 38.33 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.986 -179.49 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 20' ' ' GLY . . . . . 0.464 ' O ' ' HB2' ' B' ' 21' ' ' GLU . . . 68.29 86.39 0.09 OUTLIER Glycine 0 CA--C 1.517 0.214 0 C-N-CA 120.721 -0.752 . . . . 0.0 111.907 -179.74 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.464 ' HB2' ' O ' ' B' ' 20' ' ' GLY . 45.2 mt-10 74.99 -26.41 0.19 Allowed 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.533 0.733 . . . . 0.0 111.315 -178.695 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 22' ' ' ARG . . . . . 0.86 ' HB3' ' HB3' ' B' ' 19' ' ' CYS . 52.5 ttt180 -69.07 126.63 30.4 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 178.575 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 23' ' ' GLY . . . . . 0.761 ' HA3' ' HA ' ' D' ' 27' ' ' THR . . . -72.84 150.26 44.25 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.179 -1.01 . . . . 0.0 111.868 -179.679 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 24' ' ' PHE . . . . . 0.538 ' HA ' ' H ' ' A' ' 21' ' ' ASN . 3.9 p90 -123.97 166.09 16.31 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 120.989 0.423 . . . . 0.0 110.447 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 25' ' ' PHE . . . . . 0.444 ' CZ ' ' HA ' ' A' ' 19' ' ' TYR . 36.4 p90 -114.81 128.97 56.6 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.369 -0.975 . . . . 0.0 108.369 178.533 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -126.6 93.11 3.7 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.663 -178.363 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' THR . . . . . 0.778 ' HA ' ' HA3' ' D' ' 23' ' ' GLY . 16.9 m -126.2 106.34 24.81 Favored Pre-proline 0 C--N 1.317 -0.814 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.629 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 28' ' ' PRO . . . . . 0.452 ' HB3' HG21 ' A' ' 3' ' ' VAL . 6.5 Cg_exo -74.08 45.32 1.13 Allowed 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 123.505 2.803 . . . . 0.0 111.533 179.67 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.481 ' HB2' HG22 ' B' ' 27' ' ' THR . 28.4 tttp -110.99 4.77 19.81 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.161 -178.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 26.8 m . . . . . 0 C--O 1.247 0.937 0 CA-C-O 117.855 -1.069 . . . . 0.0 108.833 179.884 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.28 0 N-CA-C 111.796 -0.522 . . . . 0.0 111.796 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 2' ' ' ILE . . . . . 0.746 HG23 ' H ' ' C' ' 3' ' ' VAL . 14.4 tt 43.33 -79.5 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 125.033 1.333 . . . . 0.0 114.241 -179.679 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 3' ' ' VAL . . . . . 0.746 ' H ' HG23 ' C' ' 2' ' ' ILE . 5.6 t -52.2 -78.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 121.149 0.5 . . . . 0.0 111.839 -179.491 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -83.04 44.3 0.92 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 122.143 0.973 . . . . 0.0 110.662 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -128.71 -31.27 2.22 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 113.696 -1.593 . . . . 0.0 107.347 178.527 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 6' ' ' CYS . . . . . 0.478 ' HA ' ' O ' ' C' ' 9' ' ' SER . 67.0 m -109.38 -22.06 12.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.33 -1.304 . . . . 0.0 110.99 -179.717 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 7' ' ' CYS . . . . . . . . . . . . . 46.8 t -81.15 -37.43 28.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.256 0.55 . . . . 0.0 109.784 179.017 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 8' ' ' THR . . . . . 0.452 ' O ' HG11 ' L' ' 2' ' ' VAL . 4.3 p -82.16 -12.33 58.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.55 179.37 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 9' ' ' SER . . . . . 0.478 ' O ' ' HA ' ' C' ' 6' ' ' CYS . 11.9 p -167.2 110.37 0.69 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.071 179.533 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 10' ' ' ILE . . . . . 0.596 HD13 ' HA ' ' L' ' 2' ' ' VAL . 1.8 mp -48.07 124.61 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 123.55 0.531 . . . . 0.0 111.803 -178.42 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 84.4 m -87.3 153.49 21.43 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.553 179.686 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 35.7 t -71.07 155.54 40.68 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 178.096 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 9.8 tt -56.36 -36.37 68.73 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.988 0.423 . . . . 0.0 110.204 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -67.3 -34.33 77.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.831 179.652 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -69.53 -42.45 74.65 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 178.528 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 16' ' ' LEU . . . . . 0.586 ' HB3' HD23 ' D' ' 15' ' ' LEU . 83.5 mt -67.49 -33.23 74.68 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.143 179.045 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -62.89 -22.89 67.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.035 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 30.0 m120 -66.4 -19.51 65.82 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.85 0.357 . . . . 0.0 110.59 179.146 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 19' ' ' TYR . . . . . 0.458 ' CD1' HD12 ' C' ' 2' ' ' ILE . 32.7 m-85 -107.22 12.4 28.33 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.094 0.473 . . . . 0.0 109.998 -179.731 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 48.7 t -96.3 105.62 17.72 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.1 -179.496 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 21' ' ' ASN . . . . . 0.538 ' H ' ' HA ' ' D' ' 24' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--O 1.248 1.01 0 CA-C-O 117.945 -1.026 . . . . 0.0 112.45 179.2 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 5.3 t80 . . . . . 0 N--CA 1.477 0.901 0 CA-C-O 120.87 0.367 . . . . 0.0 111.796 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 2' ' ' VAL . . . . . 0.635 ' O ' ' HG ' ' D' ' 6' ' ' LEU . 18.5 m -67.04 -48.91 77.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 -177.315 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 3' ' ' ASN . . . . . . . . . . . . . 54.2 m-20 -65.65 -23.29 66.76 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 122.111 -0.368 . . . . 0.0 110.404 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 4' ' ' GLN . . . . . 0.555 ' HG3' HG11 ' C' ' 3' ' ' VAL . 38.1 tt0 -64.43 -35.65 81.59 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.397 0.618 . . . . 0.0 110.053 178.543 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 5' ' ' HIS . . . . . . . . . . . . . 69.0 t60 -90.2 -21.92 21.93 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.442 -179.53 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 6' ' ' LEU . . . . . 0.635 ' HG ' ' O ' ' D' ' 2' ' ' VAL . 23.2 mt -96.9 -70.49 0.72 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.249 0.547 . . . . 0.0 110.761 -179.62 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 7' ' ' CYS . . . . . . . . . . . . . 28.6 t -61.25 -34.95 75.99 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.316 -0.856 . . . . 0.0 111.175 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 8' ' ' GLY . . . . . . . . . . . . . . . -58.4 -31.27 66.09 Favored Glycine 0 C--N 1.329 0.193 0 CA-C-N 116.14 -0.482 . . . . 0.0 112.811 179.715 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 9' ' ' SER . . . . . 0.436 ' HB3' ' HG2' ' B' ' 13' ' ' GLU . 15.1 m -71.82 -3.47 22.41 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.754 0.311 . . . . 0.0 111.507 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 10' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 -116.74 -11.16 10.98 Favored 'General case' 0 CA--C 1.517 -0.309 0 O-C-N 122.115 -0.365 . . . . 0.0 111.33 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 11' ' ' LEU . . . . . 0.61 HD22 ' H5 ' ' C' ' 22' ' ' IPH . 44.0 mt -70.12 -23.41 63.02 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 178.2 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 12' ' ' VAL . . . . . 0.897 HG21 HG21 ' B' ' 12' ' ' VAL . 3.4 m -64.72 -37.72 80.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 114.781 -1.099 . . . . 0.0 110.959 178.859 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 13' ' ' GLU . . . . . 0.458 ' O ' ' HG ' ' D' ' 17' ' ' LEU . 29.3 mt-10 -61.76 -38.02 86.45 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 179.749 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 14' ' ' ALA . . . . . 0.413 ' O ' HG23 ' D' ' 18' ' ' VAL . . . -62.8 -46.49 87.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.011 178.477 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 15' ' ' LEU . . . . . 0.586 HD23 ' HB3' ' C' ' 16' ' ' LEU . 55.3 mt -65.16 -44.59 88.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.583 0.706 . . . . 0.0 110.05 178.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 16' ' ' TYR . . . . . 0.446 ' HB2' ' O ' ' D' ' 12' ' ' VAL . 0.8 OUTLIER -53.93 -46.24 71.45 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.515 -1.221 . . . . 0.0 111.84 -179.13 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' D' D ' 17' ' ' LEU . . . . . 0.726 HD12 HD12 ' J' ' 17' ' ' LEU . 77.2 mt -67.77 -31.66 71.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.234 -179.539 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 18' ' ' VAL . . . . . 0.413 HG23 ' O ' ' D' ' 14' ' ' ALA . 69.0 t -73.28 -44.49 55.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.375 0.607 . . . . 0.0 109.771 179.188 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 19' ' ' CYS . . . . . 0.879 ' HB3' ' HB3' ' D' ' 22' ' ' ARG . 78.1 m -67.7 -52.44 37.75 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.797 -179.687 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 20' ' ' GLY . . . . . 0.467 ' O ' ' HB2' ' D' ' 21' ' ' GLU . . . 68.15 86.18 0.1 OUTLIER Glycine 0 CA--C 1.518 0.278 0 C-N-CA 120.719 -0.753 . . . . 0.0 111.928 -179.754 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 21' ' ' GLU . . . . . 0.467 ' HB2' ' O ' ' D' ' 20' ' ' GLY . 44.3 mt-10 75.87 -27.78 0.18 Allowed 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.522 0.729 . . . . 0.0 111.008 -178.631 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 22' ' ' ARG . . . . . 0.879 ' HB3' ' HB3' ' D' ' 19' ' ' CYS . 52.4 ttt180 -68.23 125.78 27.48 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 178.679 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 23' ' ' GLY . . . . . 0.778 ' HA3' ' HA ' ' B' ' 27' ' ' THR . . . -72.03 150.69 46.25 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.144 -1.027 . . . . 0.0 111.791 -179.704 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 24' ' ' PHE . . . . . 0.538 ' HA ' ' H ' ' C' ' 21' ' ' ASN . 3.7 p90 -124.23 166.06 16.53 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 120.959 0.409 . . . . 0.0 110.511 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 25' ' ' PHE . . . . . 0.409 ' CZ ' ' HA ' ' C' ' 19' ' ' TYR . 37.1 p90 -115.06 128.17 56.07 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 178.602 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 26' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -126.12 92.46 3.59 Favored 'General case' 0 C--N 1.319 -0.732 0 C-N-CA 120.257 -0.577 . . . . 0.0 110.724 -178.186 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 27' ' ' THR . . . . . 0.761 ' HA ' ' HA3' ' B' ' 23' ' ' GLY . 23.3 m -125.7 106.39 26.45 Favored Pre-proline 0 C--N 1.32 -0.711 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.613 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 28' ' ' PRO . . . . . 0.467 ' HB3' HG21 ' C' ' 3' ' ' VAL . 6.0 Cg_exo -74.64 48.48 1.91 Allowed 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 123.412 2.741 . . . . 0.0 111.098 179.479 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 29' ' ' LYS . . . . . 0.475 ' HB2' HG22 ' D' ' 27' ' ' THR . 29.0 tttp -113.28 2.55 15.58 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.451 0.643 . . . . 0.0 109.681 -179.067 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 44.9 m . . . . . 0 C--O 1.248 0.982 0 CA-C-O 118.507 -0.759 . . . . 0.0 109.512 179.849 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.21 0 N-CA-C 111.403 -0.679 . . . . 0.0 111.403 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' E' E ' 2' ' ' ILE . . . . . 0.739 HG23 ' H ' ' E' ' 3' ' ' VAL . 14.4 tt 42.58 -78.93 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 N-CA-C 114.617 1.34 . . . . 0.0 114.617 -179.721 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 3' ' ' VAL . . . . . 0.739 ' H ' HG23 ' E' ' 2' ' ' ILE . 5.5 t -52.79 -79.14 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-O 121.133 0.492 . . . . 0.0 111.721 -179.528 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 4' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -82.31 44.84 0.9 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 122.197 0.999 . . . . 0.0 110.819 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -128.98 -32.26 2.08 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 113.649 -1.614 . . . . 0.0 107.162 178.4 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 6' ' ' CYS . . . . . 0.494 ' HA ' ' O ' ' E' ' 9' ' ' SER . 68.7 m -108.57 -22.24 12.36 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.246 -1.343 . . . . 0.0 111.264 -179.524 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 7' ' ' CYS . . . . . . . . . . . . . 48.3 t -81.01 -37.87 28.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.367 0.603 . . . . 0.0 109.687 179.197 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 8' ' ' THR . . . . . 0.477 ' O ' HG11 ' J' ' 2' ' ' VAL . 4.0 p -81.03 -13.88 58.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.541 179.258 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 9' ' ' SER . . . . . 0.494 ' O ' ' HA ' ' E' ' 6' ' ' CYS . 12.2 p -166.22 111.02 0.81 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.085 179.423 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 10' ' ' ILE . . . . . 0.564 HD13 ' HA ' ' J' ' 2' ' ' VAL . 1.8 mp -48.15 125.93 2.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 O-C-N 123.729 0.643 . . . . 0.0 111.639 -178.314 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 11' ' ' CYS . . . . . . . . . . . . . 84.8 m -89.14 153.33 21.04 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.396 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 12' ' ' SER . . . . . . . . . . . . . 42.7 t -70.4 154.94 41.34 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.009 -0.738 . . . . 0.0 109.009 178.32 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 9.9 tt -56.2 -35.58 67.43 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.002 0.429 . . . . 0.0 110.097 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -68.22 -34.62 76.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.902 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -69.42 -42.38 75.11 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 178.568 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 16' ' ' LEU . . . . . 0.584 ' HB3' HD23 ' F' ' 15' ' ' LEU . 81.2 mt -67.32 -33.57 75.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.997 178.771 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 17' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -62.43 -22.83 66.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.098 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 18' ' ' ASN . . . . . . . . . . . . . 29.8 m120 -66.59 -19.43 65.77 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.972 0.415 . . . . 0.0 110.691 179.263 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 19' ' ' TYR . . . . . 0.441 ' CD1' HD12 ' E' ' 2' ' ' ILE . 29.8 m-85 -106.66 11.49 30.33 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.103 0.478 . . . . 0.0 110.259 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 20' ' ' CYS . . . . . . . . . . . . . 48.9 t -95.35 106.36 18.41 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.205 -179.588 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 21' ' ' ASN . . . . . 0.538 ' H ' ' HA ' ' F' ' 24' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--O 1.248 0.978 0 CA-C-O 117.877 -1.058 . . . . 0.0 112.299 179.013 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' F' F ' 1' ' ' PHE . . . . . . . . . . . . . 5.2 t80 . . . . . 0 N--CA 1.48 1.063 0 CA-C-O 120.822 0.344 . . . . 0.0 111.684 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' F' F ' 2' ' ' VAL . . . . . 0.642 ' O ' ' HG ' ' F' ' 6' ' ' LEU . 17.6 m -66.48 -48.55 80.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 113.32 0.859 . . . . 0.0 113.32 -177.441 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' F' F ' 3' ' ' ASN . . . . . . . . . . . . . 47.2 m-20 -65.4 -23.23 66.91 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 122.004 -0.435 . . . . 0.0 110.665 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 4' ' ' GLN . . . . . 0.531 ' HG3' HG11 ' E' ' 3' ' ' VAL . 37.9 tt0 -64.62 -36.14 83.28 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.212 0.529 . . . . 0.0 110.208 178.323 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' F' F ' 5' ' ' HIS . . . . . . . . . . . . . 69.9 t60 -89.76 -22.07 22.34 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.326 -179.655 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 6' ' ' LEU . . . . . 0.642 ' HG ' ' O ' ' F' ' 2' ' ' VAL . 22.9 mt -96.59 -70.96 0.7 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.321 0.581 . . . . 0.0 110.717 -179.733 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' F' F ' 7' ' ' CYS . . . . . . . . . . . . . 29.1 t -60.82 -35.39 76.38 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.13 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.94 -30.87 63.93 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 121.375 -0.441 . . . . 0.0 112.913 179.687 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 9' ' ' SER . . . . . 0.465 ' HB3' ' HG2' ' H' ' 13' ' ' GLU . 15.3 m -72.18 -3.77 25.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.591 0.234 . . . . 0.0 111.582 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' F' F ' 10' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 -116.33 -11.22 11.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.892 0.377 . . . . 0.0 111.221 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 11' ' ' LEU . . . . . 0.62 HD22 ' H5 ' ' E' ' 22' ' ' IPH . 44.6 mt -70.06 -23.39 63.08 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 178.239 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' F' F ' 12' ' ' VAL . . . . . 0.893 HG21 HG21 ' H' ' 12' ' ' VAL . 3.5 m -64.7 -38.0 81.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 114.805 -1.089 . . . . 0.0 111.075 178.705 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' F' F ' 13' ' ' GLU . . . . . 0.457 ' O ' ' HG ' ' F' ' 17' ' ' LEU . 29.2 mt-10 -61.4 -38.16 86.06 Favored 'General case' 0 CA--C 1.52 -0.204 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 179.784 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' F' F ' 14' ' ' ALA . . . . . 0.41 ' O ' HG23 ' F' ' 18' ' ' VAL . . . -62.86 -46.53 87.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.039 178.591 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' F' F ' 15' ' ' LEU . . . . . 0.584 HD23 ' HB3' ' E' ' 16' ' ' LEU . 56.3 mt -65.08 -44.74 87.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.684 0.754 . . . . 0.0 109.952 178.757 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' F' F ' 16' ' ' TYR . . . . . 0.444 ' HB2' ' O ' ' F' ' 12' ' ' VAL . 0.7 OUTLIER -53.75 -46.12 70.8 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.369 -1.287 . . . . 0.0 111.874 -179.105 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' F' F ' 17' ' ' LEU . . . . . 0.747 HD12 HD12 ' L' ' 17' ' ' LEU . 79.3 mt -67.8 -33.31 74.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.971 -179.589 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' F' F ' 18' ' ' VAL . . . . . 0.41 HG23 ' O ' ' F' ' 14' ' ' ALA . 73.6 t -70.72 -45.53 73.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 121.053 0.454 . . . . 0.0 110.068 178.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' F' F ' 19' ' ' CYS . . . . . 0.896 ' HB3' ' HB3' ' F' ' 22' ' ' ARG . 75.7 m -66.81 -52.92 38.21 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.011 -179.581 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' F' F ' 20' ' ' GLY . . . . . 0.468 ' O ' ' HB2' ' F' ' 21' ' ' GLU . . . 68.64 85.38 0.11 Allowed Glycine 0 CA--C 1.52 0.355 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.022 -179.746 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' F' F ' 21' ' ' GLU . . . . . 0.468 ' HB2' ' O ' ' F' ' 20' ' ' GLY . 42.1 mt-10 76.39 -25.83 0.2 Allowed 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.588 0.755 . . . . 0.0 111.071 -178.809 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' F' F ' 22' ' ' ARG . . . . . 0.896 ' HB3' ' HB3' ' F' ' 19' ' ' CYS . 54.2 ttt180 -69.94 126.32 29.36 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 178.749 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' F' F ' 23' ' ' GLY . . . . . 0.772 ' HA3' ' HA ' ' H' ' 27' ' ' THR . . . -72.59 149.86 44.07 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.133 -1.032 . . . . 0.0 111.833 -179.587 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' F' F ' 24' ' ' PHE . . . . . 0.538 ' HA ' ' H ' ' E' ' 21' ' ' ASN . 4.0 p90 -123.49 166.86 14.68 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.005 0.431 . . . . 0.0 110.442 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' F' F ' 25' ' ' PHE . . . . . 0.416 ' CZ ' ' HA ' ' E' ' 19' ' ' TYR . 37.5 p90 -115.76 128.29 55.75 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 178.537 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' F' F ' 26' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -126.26 92.32 3.55 Favored 'General case' 0 C--N 1.318 -0.798 0 C-N-CA 120.298 -0.561 . . . . 0.0 110.844 -178.148 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 27' ' ' THR . . . . . 0.783 ' HA ' ' HA3' ' H' ' 23' ' ' GLY . 19.8 m -125.52 106.31 27.06 Favored Pre-proline 0 C--N 1.317 -0.833 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.515 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' F' F ' 28' ' ' PRO . . . . . 0.438 ' HB3' HG21 ' E' ' 3' ' ' VAL . 6.5 Cg_exo -74.06 44.76 1.04 Allowed 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 123.504 2.802 . . . . 0.0 111.567 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' F' F ' 29' ' ' LYS . . . . . 0.484 ' HB2' HG22 ' F' ' 27' ' ' THR . 28.1 tttp -109.9 3.54 20.68 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.166 -179.002 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' F' F ' 30' ' ' THR . . . . . . . . . . . . . 33.0 m . . . . . 0 C--O 1.247 0.937 0 CA-C-O 118.148 -0.93 . . . . 0.0 108.923 179.722 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' G' G ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.581 0 CA-C-O 119.96 -0.355 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' G' G ' 2' ' ' ILE . . . . . 0.726 HG23 ' H ' ' G' ' 3' ' ' VAL . 14.8 tt 43.1 -80.32 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 N-CA-C 114.376 1.25 . . . . 0.0 114.376 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' G' G ' 3' ' ' VAL . . . . . 0.726 ' H ' HG23 ' G' ' 2' ' ' ILE . 5.9 t -51.48 -77.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-O 121.311 0.577 . . . . 0.0 111.697 -179.243 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' G' G ' 4' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -83.45 45.56 1.06 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 122.043 0.925 . . . . 0.0 110.486 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 5' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -130.69 -31.81 1.74 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 113.681 -1.599 . . . . 0.0 107.324 178.566 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 6' ' ' CYS . . . . . 0.477 ' HA ' ' O ' ' G' ' 9' ' ' SER . 72.2 m -108.76 -22.32 12.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 114.238 -1.346 . . . . 0.0 111.038 -179.578 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' G' G ' 7' ' ' CYS . . . . . . . . . . . . . 48.9 t -81.24 -37.41 28.63 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.218 0.532 . . . . 0.0 109.684 179.221 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 8' ' ' THR . . . . . 0.488 ' O ' HG11 ' D' ' 2' ' ' VAL . 3.3 p -81.29 -13.85 58.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.516 179.321 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' G' G ' 9' ' ' SER . . . . . 0.477 ' O ' ' HA ' ' G' ' 6' ' ' CYS . 10.8 p -166.37 110.72 0.79 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.216 -0.902 . . . . 0.0 109.002 179.574 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' G' G ' 10' ' ' ILE . . . . . 0.593 HD13 ' HA ' ' D' ' 2' ' ' VAL . 1.8 mp -48.03 124.49 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 O-C-N 123.608 0.567 . . . . 0.0 111.902 -178.086 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' G' G ' 11' ' ' CYS . . . . . . . . . . . . . 87.1 m -87.14 154.13 20.98 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.586 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 12' ' ' SER . . . . . . . . . . . . . 41.6 t -71.71 155.14 40.81 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 178.333 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 13' ' ' LEU . . . . . . . . . . . . . 9.9 tt -56.54 -34.7 67.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.014 0.435 . . . . 0.0 110.356 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -69.12 -33.25 73.17 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.809 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -70.52 -42.93 70.6 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 178.508 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 16' ' ' LEU . . . . . 0.586 ' HB3' HD23 ' H' ' 15' ' ' LEU . 81.2 mt -67.02 -32.76 74.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.115 178.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' G' G ' 17' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -62.93 -23.58 67.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.993 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 18' ' ' ASN . . . . . . . . . . . . . 29.2 m120 -65.39 -21.82 66.72 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.874 0.369 . . . . 0.0 110.684 179.284 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 19' ' ' TYR . . . . . 0.455 ' CD1' HD12 ' G' ' 2' ' ' ILE . 33.2 m-85 -104.76 11.89 33.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.481 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' G' G ' 20' ' ' CYS . . . . . . . . . . . . . 48.8 t -95.61 106.14 18.2 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.281 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 21' ' ' ASN . . . . . 0.533 ' H ' ' HA ' ' H' ' 24' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.065 0 CA-C-O 117.9 -1.048 . . . . 0.0 112.286 179.131 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' H' H ' 1' ' ' PHE . . . . . . . . . . . . . 5.1 t80 . . . . . 0 N--CA 1.482 1.139 0 CA-C-O 120.812 0.339 . . . . 0.0 111.397 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' H' H ' 2' ' ' VAL . . . . . 0.664 ' O ' ' HG ' ' H' ' 6' ' ' LEU . 18.7 m -66.25 -48.26 81.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 -177.272 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' H' H ' 3' ' ' ASN . . . . . . . . . . . . . 50.6 m-20 -65.91 -22.65 66.51 Favored 'General case' 0 CA--C 1.516 -0.337 0 O-C-N 122.029 -0.42 . . . . 0.0 110.528 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' H' H ' 4' ' ' GLN . . . . . 0.581 ' HG3' HG11 ' G' ' 3' ' ' VAL . 38.6 tt0 -65.19 -35.25 80.48 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.176 0.512 . . . . 0.0 110.069 178.418 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' H' H ' 5' ' ' HIS . . . . . . . . . . . . . 70.2 t60 -90.55 -21.53 21.73 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.247 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' H' H ' 6' ' ' LEU . . . . . 0.664 ' HG ' ' O ' ' H' ' 2' ' ' VAL . 22.4 mt -97.41 -70.45 0.72 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.282 0.563 . . . . 0.0 110.736 -179.537 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' H' H ' 7' ' ' CYS . . . . . . . . . . . . . 30.5 t -61.15 -35.77 77.99 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.131 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' H' H ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.59 -31.4 63.51 Favored Glycine 0 C--N 1.331 0.254 0 CA-C-N 116.133 -0.485 . . . . 0.0 112.813 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' H' H ' 9' ' ' SER . . . . . 0.42 ' HB3' ' HG2' ' F' ' 13' ' ' GLU . 15.3 m -71.57 -3.82 23.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.725 0.298 . . . . 0.0 111.785 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' H' H ' 10' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 -116.55 -11.25 11.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.809 0.338 . . . . 0.0 111.154 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' H' H ' 11' ' ' LEU . . . . . 0.614 HD22 ' H5 ' ' G' ' 22' ' ' IPH . 44.9 mt -69.94 -23.28 63.17 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 178.352 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' H' H ' 12' ' ' VAL . . . . . 0.893 HG21 HG21 ' F' ' 12' ' ' VAL . 3.6 m -64.99 -37.74 81.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 114.822 -1.081 . . . . 0.0 111.014 178.767 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' H' H ' 13' ' ' GLU . . . . . 0.469 ' O ' ' HG ' ' H' ' 17' ' ' LEU . 29.7 mt-10 -61.83 -37.9 86.15 Favored 'General case' 0 CA--C 1.522 -0.13 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' H' H ' 14' ' ' ALA . . . . . 0.407 ' O ' HG23 ' H' ' 18' ' ' VAL . . . -62.72 -46.66 87.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.033 178.552 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' H' H ' 15' ' ' LEU . . . . . 0.586 HD23 ' HB3' ' G' ' 16' ' ' LEU . 53.8 mt -65.0 -44.92 87.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.614 0.721 . . . . 0.0 109.971 178.719 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' H' H ' 16' ' ' TYR . . . . . 0.441 ' HB2' ' O ' ' H' ' 12' ' ' VAL . 0.7 OUTLIER -53.79 -45.78 70.84 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.47 -1.241 . . . . 0.0 111.895 -179.038 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' H' H ' 17' ' ' LEU . . . . . 0.752 HD12 HD12 ' B' ' 17' ' ' LEU . 79.4 mt -68.02 -32.8 73.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.996 -179.594 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' H' H ' 18' ' ' VAL . . . . . 0.407 HG23 ' O ' ' H' ' 14' ' ' ALA . 73.3 t -71.66 -44.39 69.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.056 0.455 . . . . 0.0 110.039 179.053 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' H' H ' 19' ' ' CYS . . . . . 0.861 ' HB3' ' HB3' ' H' ' 22' ' ' ARG . 74.7 m -68.19 -51.63 43.55 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.014 -179.595 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' H' H ' 20' ' ' GLY . . . . . 0.46 ' O ' ' HB2' ' H' ' 21' ' ' GLU . . . 67.3 86.52 0.08 OUTLIER Glycine 0 CA--C 1.52 0.358 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.052 -179.708 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' H' H ' 21' ' ' GLU . . . . . 0.46 ' HB2' ' O ' ' H' ' 20' ' ' GLY . 42.2 mt-10 75.45 -26.35 0.19 Allowed 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.623 0.769 . . . . 0.0 111.085 -178.62 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' H' H ' 22' ' ' ARG . . . . . 0.861 ' HB3' ' HB3' ' H' ' 19' ' ' CYS . 53.6 ttt180 -69.51 126.22 29.08 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 178.795 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' H' H ' 23' ' ' GLY . . . . . 0.783 ' HA3' ' HA ' ' F' ' 27' ' ' THR . . . -72.19 151.07 46.52 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.197 -1.002 . . . . 0.0 111.766 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' H' H ' 24' ' ' PHE . . . . . 0.533 ' HA ' ' H ' ' G' ' 21' ' ' ASN . 3.8 p90 -124.94 166.24 16.65 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.025 0.441 . . . . 0.0 110.325 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' H' H ' 25' ' ' PHE . . . . . 0.422 ' CZ ' ' HA ' ' G' ' 19' ' ' TYR . 37.3 p90 -115.24 128.17 55.97 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 178.532 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' H' H ' 26' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -125.88 92.18 3.54 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.854 -178.353 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' H' H ' 27' ' ' THR . . . . . 0.772 ' HA ' ' HA3' ' F' ' 23' ' ' GLY . 22.4 m -125.72 106.2 26.46 Favored Pre-proline 0 C--N 1.315 -0.908 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.505 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' H' H ' 28' ' ' PRO . . . . . 0.492 ' HB3' HG21 ' G' ' 3' ' ' VAL . 6.4 Cg_exo -74.24 46.93 1.46 Allowed 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 123.491 2.794 . . . . 0.0 111.231 179.709 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' H' H ' 29' ' ' LYS . . . . . 0.472 ' HB2' HG22 ' H' ' 27' ' ' THR . 29.4 tttp -112.29 4.63 17.83 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.04 -179.056 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' H' H ' 30' ' ' THR . . . . . . . . . . . . . 34.6 m . . . . . 0 C--O 1.246 0.905 0 CA-C-O 117.987 -1.006 . . . . 0.0 108.848 179.342 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' I' I ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.177 0 N-CA-C 111.618 -0.593 . . . . 0.0 111.618 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' I' I ' 2' ' ' ILE . . . . . 0.75 HG23 ' H ' ' I' ' 3' ' ' VAL . 14.5 tt 43.51 -79.06 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 125.059 1.344 . . . . 0.0 114.233 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' I' I ' 3' ' ' VAL . . . . . 0.75 ' H ' HG23 ' I' ' 2' ' ' ILE . 5.0 t -52.85 -78.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.3 0 CA-C-O 120.977 0.417 . . . . 0.0 111.729 -179.497 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' I' I ' 4' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -83.02 45.94 1.06 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 122.377 1.085 . . . . 0.0 110.718 179.643 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 5' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -130.05 -32.2 1.85 Allowed 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 113.462 -1.699 . . . . 0.0 107.332 178.325 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 6' ' ' CYS . . . . . 0.487 ' HA ' ' O ' ' I' ' 9' ' ' SER . 69.0 m -108.14 -23.17 12.08 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 114.339 -1.3 . . . . 0.0 111.074 -179.802 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' I' I ' 7' ' ' CYS . . . . . . . . . . . . . 47.1 t -80.27 -38.23 31.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.304 0.574 . . . . 0.0 109.749 179.277 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 8' ' ' THR . . . . . 0.479 ' O ' HG11 ' B' ' 2' ' ' VAL . 3.6 p -81.01 -13.12 59.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.623 179.461 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' I' I ' 9' ' ' SER . . . . . 0.487 ' O ' ' HA ' ' I' ' 6' ' ' CYS . 10.2 p -166.87 110.93 0.74 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.26 -0.882 . . . . 0.0 108.92 179.604 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' I' I ' 10' ' ' ILE . . . . . 0.598 HD13 ' HA ' ' B' ' 2' ' ' VAL . 1.8 mp -48.45 125.01 2.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.249 0.547 . . . . 0.0 111.749 -178.182 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' I' I ' 11' ' ' CYS . . . . . . . . . . . . . 85.2 m -87.57 153.13 21.64 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.218 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 12' ' ' SER . . . . . . . . . . . . . 44.4 t -70.86 155.85 40.3 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 178.142 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 13' ' ' LEU . . . . . . . . . . . . . 9.9 tt -56.63 -35.96 68.93 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.025 0.441 . . . . 0.0 110.242 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -67.89 -33.13 74.13 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.989 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -70.83 -42.11 70.62 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 178.494 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 16' ' ' LEU . . . . . 0.581 ' HB3' HD23 ' J' ' 15' ' ' LEU . 80.4 mt -67.51 -33.93 76.08 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.02 178.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' I' I ' 17' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -61.87 -23.27 66.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.192 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 18' ' ' ASN . . . . . . . . . . . . . 30.0 m120 -65.83 -21.29 66.47 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.952 0.406 . . . . 0.0 110.679 179.241 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 19' ' ' TYR . . . . . 0.473 ' CD1' HD12 ' I' ' 2' ' ' ILE . 30.3 m-85 -105.7 12.45 31.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.402 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' I' I ' 20' ' ' CYS . . . . . . . . . . . . . 48.7 t -95.7 106.54 18.66 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.893 -179.581 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 21' ' ' ASN . . . . . 0.528 ' H ' ' HA ' ' J' ' 24' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--O 1.248 1.002 0 CA-C-O 117.957 -1.02 . . . . 0.0 112.567 179.313 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' J' J ' 1' ' ' PHE . . . . . . . . . . . . . 5.2 t80 . . . . . 0 N--CA 1.481 1.112 0 CA-C-O 120.814 0.34 . . . . 0.0 111.593 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' J' J ' 2' ' ' VAL . . . . . 0.65 ' O ' ' HG ' ' J' ' 6' ' ' LEU . 17.0 m -66.84 -48.87 78.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 113.164 0.802 . . . . 0.0 113.164 -177.372 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' J' J ' 3' ' ' ASN . . . . . . . . . . . . . 50.0 m-20 -65.0 -23.51 67.24 Favored 'General case' 0 C--N 1.328 -0.341 0 O-C-N 122.033 -0.417 . . . . 0.0 110.562 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' J' J ' 4' ' ' GLN . . . . . 0.57 ' HG3' HG11 ' I' ' 3' ' ' VAL . 37.5 tt0 -64.38 -36.07 82.95 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.213 0.53 . . . . 0.0 110.223 178.33 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' J' J ' 5' ' ' HIS . . . . . . . . . . . . . 69.4 t60 -89.76 -22.18 22.29 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.376 -179.638 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' J' J ' 6' ' ' LEU . . . . . 0.65 ' HG ' ' O ' ' J' ' 2' ' ' VAL . 21.9 mt -96.72 -70.5 0.71 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.386 0.612 . . . . 0.0 110.816 -179.582 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' J' J ' 7' ' ' CYS . . . . . . . . . . . . . 31.5 t -61.15 -35.59 77.52 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.069 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' J' J ' 8' ' ' GLY . . . . . . . . . . . . . . . -58.25 -30.39 64.25 Favored Glycine 0 N--CA 1.453 -0.217 0 CA-C-N 116.055 -0.52 . . . . 0.0 112.949 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' J' J ' 9' ' ' SER . . . . . 0.429 ' HB3' ' HG2' ' L' ' 13' ' ' GLU . 15.1 m -72.73 -2.87 22.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.705 0.288 . . . . 0.0 111.511 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' J' J ' 10' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -117.14 -11.0 10.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.809 0.338 . . . . 0.0 111.32 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' J' J ' 11' ' ' LEU . . . . . 0.614 HD22 ' H5 ' ' I' ' 22' ' ' IPH . 45.5 mt -70.3 -23.78 62.91 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 178.044 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' J' J ' 12' ' ' VAL . . . . . 0.912 HG21 HG21 ' L' ' 12' ' ' VAL . 3.5 m -64.22 -37.75 80.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 114.842 -1.072 . . . . 0.0 111.082 178.707 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' J' J ' 13' ' ' GLU . . . . . 0.48 ' O ' ' HG ' ' J' ' 17' ' ' LEU . 29.2 mt-10 -61.85 -37.76 85.68 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-O 121.239 0.542 . . . . 0.0 109.54 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' J' J ' 14' ' ' ALA . . . . . 0.424 ' O ' HG23 ' J' ' 18' ' ' VAL . . . -63.19 -46.57 86.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.327 -0.852 . . . . 0.0 110.037 178.637 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' J' J ' 15' ' ' LEU . . . . . 0.581 HD23 ' HB3' ' I' ' 16' ' ' LEU . 53.5 mt -64.94 -44.56 89.07 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.557 0.694 . . . . 0.0 109.986 178.73 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' J' J ' 16' ' ' TYR . . . . . 0.444 ' HB2' ' O ' ' J' ' 12' ' ' VAL . 0.8 OUTLIER -53.99 -45.71 71.51 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.513 -1.221 . . . . 0.0 112.076 -178.962 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' J' J ' 17' ' ' LEU . . . . . 0.726 HD12 HD12 ' D' ' 17' ' ' LEU . 74.8 mt -68.47 -31.97 71.64 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.056 -179.627 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' J' J ' 18' ' ' VAL . . . . . 0.424 HG23 ' O ' ' J' ' 14' ' ' ALA . 73.7 t -72.39 -43.93 63.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.211 0.529 . . . . 0.0 109.944 178.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' J' J ' 19' ' ' CYS . . . . . 0.853 ' HB3' ' HB3' ' J' ' 22' ' ' ARG . 78.2 m -68.35 -51.53 43.3 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.896 -179.587 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' J' J ' 20' ' ' GLY . . . . . 0.468 ' O ' ' HB2' ' J' ' 21' ' ' GLU . . . 67.3 86.15 0.09 OUTLIER Glycine 0 CA--C 1.518 0.245 0 C-N-CA 120.831 -0.7 . . . . 0.0 111.958 -179.74 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' J' J ' 21' ' ' GLU . . . . . 0.468 ' HB2' ' O ' ' J' ' 20' ' ' GLY . 44.2 mt-10 75.84 -27.45 0.18 Allowed 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.493 0.717 . . . . 0.0 111.069 -178.56 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' J' J ' 22' ' ' ARG . . . . . 0.853 ' HB3' ' HB3' ' J' ' 19' ' ' CYS . 52.9 ttt180 -68.57 125.86 27.84 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 178.739 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' J' J ' 23' ' ' GLY . . . . . 0.764 ' HA3' ' HA ' ' L' ' 27' ' ' THR . . . -72.08 150.58 46.0 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.186 -1.006 . . . . 0.0 111.821 -179.62 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' J' J ' 24' ' ' PHE . . . . . 0.528 ' HA ' ' H ' ' I' ' 21' ' ' ASN . 4.1 p90 -124.17 166.5 15.72 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.943 0.402 . . . . 0.0 110.483 179.789 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' J' J ' 25' ' ' PHE . . . . . 0.424 ' CZ ' ' HA ' ' I' ' 19' ' ' TYR . 37.5 p90 -115.62 127.47 55.23 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 178.536 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' J' J ' 26' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -125.57 93.33 3.82 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.158 0.504 . . . . 0.0 110.802 -178.47 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' J' J ' 27' ' ' THR . . . . . 0.769 ' HA ' ' HA3' ' L' ' 23' ' ' GLY . 19.8 m -126.25 105.48 24.92 Favored Pre-proline 0 C--N 1.316 -0.86 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.55 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' J' J ' 28' ' ' PRO . . . . . 0.451 ' HB3' HG21 ' I' ' 3' ' ' VAL . 6.2 Cg_exo -74.07 48.34 1.71 Allowed 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 123.405 2.737 . . . . 0.0 111.165 179.445 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' J' J ' 29' ' ' LYS . . . . . 0.482 ' HB2' HG22 ' J' ' 27' ' ' THR . 28.5 tttp -113.08 2.21 15.61 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.821 -179.183 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' J' J ' 30' ' ' THR . . . . . . . . . . . . . 36.9 m . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.175 -0.917 . . . . 0.0 109.137 179.78 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.143 0 N-CA-C 111.136 -0.785 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' K' K ' 2' ' ' ILE . . . . . 0.755 HG23 ' H ' ' K' ' 3' ' ' VAL . 14.0 tt 41.24 -79.29 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 125.45 1.5 . . . . 0.0 114.082 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' K' K ' 3' ' ' VAL . . . . . 0.755 ' H ' HG23 ' K' ' 2' ' ' ILE . 5.5 t -52.57 -78.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.142 0.496 . . . . 0.0 111.822 -179.554 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' K' K ' 4' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -83.27 45.12 1.0 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 122.165 0.983 . . . . 0.0 110.668 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' K' K ' 5' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -128.96 -32.56 2.06 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 113.561 -1.654 . . . . 0.0 107.095 178.507 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' K' K ' 6' ' ' CYS . . . . . 0.493 ' HA ' ' O ' ' K' ' 9' ' ' SER . 65.4 m -108.45 -21.56 12.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.255 -1.339 . . . . 0.0 111.244 -179.589 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' K' K ' 7' ' ' CYS . . . . . . . . . . . . . 50.0 t -81.79 -36.53 28.32 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.403 0.621 . . . . 0.0 109.683 179.173 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' K' K ' 8' ' ' THR . . . . . 0.468 ' O ' HG11 ' H' ' 2' ' ' VAL . 4.4 p -82.27 -13.51 56.9 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.364 179.364 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' K' K ' 9' ' ' SER . . . . . 0.493 ' O ' ' HA ' ' K' ' 6' ' ' CYS . 11.0 p -166.39 110.69 0.78 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.096 -0.956 . . . . 0.0 108.906 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' K' K ' 10' ' ' ILE . . . . . 0.583 HD13 ' HA ' ' H' ' 2' ' ' VAL . 1.8 mp -48.02 126.04 2.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.396 0.617 . . . . 0.0 111.421 -178.319 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' K' K ' 11' ' ' CYS . . . . . . . . . . . . . 85.4 m -89.3 152.99 21.24 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.221 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' K' K ' 12' ' ' SER . . . . . . . . . . . . . 42.7 t -70.41 155.22 40.98 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 178.438 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' K' K ' 13' ' ' LEU . . . . . . . . . . . . . 9.9 tt -56.38 -35.91 68.25 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.925 0.393 . . . . 0.0 110.276 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -67.96 -34.41 76.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.84 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -68.93 -43.21 75.57 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 178.394 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' K' K ' 16' ' ' LEU . . . . . 0.606 ' HB3' HD23 ' L' ' 15' ' ' LEU . 82.7 mt -66.76 -33.3 75.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.065 178.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' K' K ' 17' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -62.52 -23.14 66.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.152 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' K' K ' 18' ' ' ASN . . . . . . . . . . . . . 30.4 m120 -65.72 -21.9 66.56 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.006 0.431 . . . . 0.0 110.499 179.299 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' K' K ' 19' ' ' TYR . . . . . 0.46 ' CD1' HD12 ' K' ' 2' ' ' ILE . 26.9 m-85 -104.79 12.36 32.77 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.446 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' K' K ' 20' ' ' CYS . . . . . . . . . . . . . 48.5 t -95.96 106.04 18.15 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.24 -179.676 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' K' K ' 21' ' ' ASN . . . . . 0.52 ' H ' ' HA ' ' L' ' 24' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--O 1.247 0.956 0 CA-C-O 117.974 -1.013 . . . . 0.0 112.427 179.167 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' L' L ' 1' ' ' PHE . . . . . . . . . . . . . 5.6 t80 . . . . . 0 N--CA 1.48 1.072 0 CA-C-O 120.771 0.319 . . . . 0.0 111.309 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' L' L ' 2' ' ' VAL . . . . . 0.67 ' O ' ' HG ' ' L' ' 6' ' ' LEU . 18.1 m -66.27 -48.51 80.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 -177.497 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' L' L ' 3' ' ' ASN . . . . . . . . . . . . . 38.2 m-20 -66.07 -22.62 66.43 Favored 'General case' 0 C--O 1.223 -0.292 0 O-C-N 122.046 -0.409 . . . . 0.0 110.57 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' L' L ' 4' ' ' GLN . . . . . 0.57 ' HG3' HG11 ' K' ' 3' ' ' VAL . 37.5 tt0 -65.36 -35.06 79.84 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.232 0.539 . . . . 0.0 110.073 178.417 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' L' L ' 5' ' ' HIS . . . . . . . . . . . . . 70.3 t60 -90.55 -21.82 21.59 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.314 -179.531 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' L' L ' 6' ' ' LEU . . . . . 0.67 ' HG ' ' O ' ' L' ' 2' ' ' VAL . 22.4 mt -96.72 -70.95 0.7 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.325 0.583 . . . . 0.0 110.669 -179.75 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' L' L ' 7' ' ' CYS . . . . . . . . . . . . . 33.3 t -60.88 -35.57 76.96 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.16 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' L' L ' 8' ' ' GLY . . . . . . . . . . . . . . . -58.22 -30.66 64.54 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 121.149 -0.548 . . . . 0.0 112.822 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' L' L ' 9' ' ' SER . . . . . 0.435 ' HB3' ' HG2' ' J' ' 13' ' ' GLU . 15.3 m -72.02 -3.79 24.92 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.683 0.278 . . . . 0.0 111.582 179.824 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' L' L ' 10' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 -116.32 -11.39 11.24 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 120.87 0.367 . . . . 0.0 111.291 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' L' L ' 11' ' ' LEU . . . . . 0.624 HD22 ' H5 ' ' K' ' 22' ' ' IPH . 46.6 mt -70.02 -23.26 63.1 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 178.3 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' L' L ' 12' ' ' VAL . . . . . 0.912 HG21 HG21 ' J' ' 12' ' ' VAL . 3.4 m -64.71 -37.72 80.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 114.851 -1.068 . . . . 0.0 110.988 178.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' L' L ' 13' ' ' GLU . . . . . 0.464 ' O ' ' HG ' ' L' ' 17' ' ' LEU . 29.3 mt-10 -61.93 -37.72 85.74 Favored 'General case' 0 CA--C 1.52 -0.195 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 179.693 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' L' L ' 14' ' ' ALA . . . . . 0.409 ' O ' HG23 ' L' ' 18' ' ' VAL . . . -63.01 -46.66 86.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.021 178.54 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' L' L ' 15' ' ' LEU . . . . . 0.606 HD23 ' HB3' ' K' ' 16' ' ' LEU . 51.1 mt -65.12 -44.65 88.02 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.596 0.712 . . . . 0.0 110.056 178.771 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' L' L ' 16' ' ' TYR . . . . . 0.426 ' HB2' ' O ' ' L' ' 12' ' ' VAL . 0.7 OUTLIER -53.91 -45.61 71.21 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.476 -1.238 . . . . 0.0 112.02 -179.139 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' L' L ' 17' ' ' LEU . . . . . 0.747 HD12 HD12 ' F' ' 17' ' ' LEU . 78.9 mt -67.9 -33.49 74.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.939 -179.539 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' L' L ' 18' ' ' VAL . . . . . 0.409 HG23 ' O ' ' L' ' 14' ' ' ALA . 79.4 t -70.99 -45.64 71.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.117 0.484 . . . . 0.0 109.966 178.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' L' L ' 19' ' ' CYS . . . . . 0.861 ' HB3' ' HB3' ' L' ' 22' ' ' ARG . 77.2 m -66.59 -52.62 43.41 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.88 -179.687 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' L' L ' 20' ' ' GLY . . . . . 0.486 ' O ' ' HB2' ' L' ' 21' ' ' GLU . . . 68.53 85.12 0.11 Allowed Glycine 0 C--N 1.333 0.374 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.164 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' L' L ' 21' ' ' GLU . . . . . 0.486 ' HB2' ' O ' ' L' ' 20' ' ' GLY . 41.4 mt-10 76.29 -26.32 0.19 Allowed 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.519 0.728 . . . . 0.0 111.151 -178.602 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' L' L ' 22' ' ' ARG . . . . . 0.861 ' HB3' ' HB3' ' L' ' 19' ' ' CYS . 54.3 ttt180 -69.53 126.5 29.95 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 178.71 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' L' L ' 23' ' ' GLY . . . . . 0.769 ' HA3' ' HA ' ' J' ' 27' ' ' THR . . . -72.62 151.17 45.94 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 119.958 -1.115 . . . . 0.0 111.844 -179.485 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' L' L ' 24' ' ' PHE . . . . . 0.52 ' HA ' ' H ' ' K' ' 21' ' ' ASN . 3.7 p90 -124.69 166.09 16.77 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 120.826 0.346 . . . . 0.0 110.543 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' L' L ' 25' ' ' PHE . . . . . 0.437 ' CZ ' ' HA ' ' K' ' 19' ' ' TYR . 37.5 p90 -114.9 128.62 56.4 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 178.442 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' L' L ' 26' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -126.44 93.2 3.73 Favored 'General case' 0 C--N 1.317 -0.81 0 C-N-CA 120.321 -0.552 . . . . 0.0 110.747 -178.297 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' L' L ' 27' ' ' THR . . . . . 0.764 ' HA ' ' HA3' ' J' ' 23' ' ' GLY . 18.8 m -126.5 106.41 23.83 Favored Pre-proline 0 C--N 1.317 -0.843 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.544 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' L' L ' 28' ' ' PRO . . . . . 0.45 ' HB3' HG21 ' K' ' 3' ' ' VAL . 5.9 Cg_exo -74.13 45.73 1.22 Allowed 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 123.531 2.82 . . . . 0.0 111.441 179.557 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' L' L ' 29' ' ' LYS . . . . . 0.49 ' HB2' HG22 ' L' ' 27' ' ' THR . 28.7 tttp -111.09 3.57 18.68 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.935 -179.02 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' L' L ' 30' ' ' THR . . . . . . . . . . . . . 51.3 m . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.275 -0.869 . . . . 0.0 109.218 179.622 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 22' ' ' IPH . . . . . 0.624 ' H5 ' HD22 ' B' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 22' ' ' IPH . . . . . 0.61 ' H5 ' HD22 ' D' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 22' ' ' IPH . . . . . 0.62 ' H5 ' HD22 ' F' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 22' ' ' IPH . . . . . 0.614 ' H5 ' HD22 ' H' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 22' ' ' IPH . . . . . 0.614 ' H5 ' HD22 ' J' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' K' K ' 22' ' ' IPH . . . . . 0.624 ' H5 ' HD22 ' L' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.257 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 11.5 tt -81.78 -36.49 14.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-O 120.698 0.285 . . . . 0.0 111.259 -178.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.505 HG11 ' HG3' ' B' ' 4' ' ' GLN . 96.3 t -61.77 -59.84 3.66 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 CA-C-O 120.884 0.373 . . . . 0.0 110.637 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -79.44 61.58 3.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.427 0.632 . . . . 0.0 110.757 179.416 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.442 ' HG2' ' SG ' ' A' ' 11' ' ' CYS . 32.2 tt0 -172.34 -43.73 0.02 OUTLIER 'General case' 0 C--N 1.312 -1.035 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 95.4 m -89.14 -39.55 13.51 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.745 -1.116 . . . . 0.0 111.226 179.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 79.8 m -91.45 18.28 7.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.25 0.548 . . . . 0.0 109.891 178.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.2 m -104.83 -45.21 4.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.44 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.2 p -156.83 21.86 0.32 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.663 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.653 HG13 ' H6 ' ' A' ' 22' ' ' IPH . 2.3 mp 70.34 125.29 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 CA-C-N 115.476 -0.783 . . . . 0.0 111.617 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.442 ' SG ' ' HG2' ' A' ' 5' ' ' GLN . 85.9 m -81.51 145.17 30.84 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.137 179.787 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.42 ' HB2' ' HG3' ' A' ' 15' ' ' GLN . 17.3 m -73.99 152.15 40.12 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 178.387 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.92 HD11 HD11 ' G' ' 13' ' ' LEU . 7.3 tt -52.73 -48.15 66.89 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -178.361 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -65.65 -22.91 66.69 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -178.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.42 ' HG3' ' HB2' ' A' ' 12' ' ' SER . 85.5 mt-30 -75.54 -27.99 58.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.182 0.515 . . . . 0.0 110.047 178.752 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.7 ' HB3' HD23 ' B' ' 15' ' ' LEU . 86.1 mt -78.23 -23.94 47.19 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.34 -179.646 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -61.8 -21.93 65.02 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.832 -179.554 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 -81.83 -4.89 57.56 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.319 -179.157 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 18.0 m-30 -105.07 13.79 30.28 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.94 0.4 . . . . 0.0 111.365 -178.413 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 72.7 m -84.89 154.18 22.4 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.778 179.447 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 . . . . . 0 C--O 1.252 1.197 0 CA-C-O 118.317 -0.849 . . . . 0.0 109.438 179.58 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 26.6 t80 . . . . . 0 N--CA 1.481 1.119 0 CA-C-O 120.557 0.218 . . . . 0.0 111.077 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.511 ' O ' ' HG ' ' B' ' 6' ' ' LEU . 16.8 m -68.93 -31.81 52.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -178.412 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 3' ' ' ASN . . . . . 0.419 ' HA ' ' HB2' ' B' ' 6' ' ' LEU . 9.5 m-20 -62.97 -19.32 64.2 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-O 121.113 0.483 . . . . 0.0 110.911 179.761 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 4' ' ' GLN . . . . . 0.505 ' HG3' HG11 ' A' ' 3' ' ' VAL . 66.0 tt0 -68.2 -17.17 64.25 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.254 0.549 . . . . 0.0 109.952 178.609 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -118.67 11.5 12.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.387 0.613 . . . . 0.0 109.515 179.243 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' B' ' 2' ' ' VAL . 55.3 mt -126.23 -64.48 1.04 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.446 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 7' ' ' CYS . . . . . 0.455 ' HB2' HD13 ' F' ' 6' ' ' LEU . 2.8 t -62.45 -46.45 88.47 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.719 -1.128 . . . . 0.0 109.381 178.435 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 8' ' ' GLY . . . . . 0.647 ' HA2' ' HG ' ' B' ' 11' ' ' LEU . . . -58.89 -30.2 65.99 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.297 178.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 9' ' ' SER . . . . . 0.69 ' HB3' ' HG2' ' D' ' 13' ' ' GLU . 7.7 m -71.5 -1.1 12.15 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.755 0.312 . . . . 0.0 111.365 179.656 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 70.2 m-70 -120.56 -11.21 9.11 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-O 120.803 0.335 . . . . 0.0 111.25 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.647 ' HG ' ' HA2' ' B' ' 8' ' ' GLY . 13.9 mt -69.71 -21.82 63.45 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 176.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.46 HG21 HG21 ' D' ' 12' ' ' VAL . 11.2 m -67.94 -46.33 82.16 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 CA-C-N 114.654 -1.157 . . . . 0.0 111.561 179.308 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.706 ' HG2' ' HB3' ' D' ' 9' ' ' SER . 18.9 mt-10 -63.1 -29.54 70.88 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 108.92 -0.771 . . . . 0.0 108.92 178.842 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.456 ' CB ' ' H3 ' ' A' ' 22' ' ' IPH . . . -69.39 -52.83 23.26 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.463 177.333 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.7 HD23 ' HB3' ' A' ' 16' ' ' LEU . 91.2 mt -58.05 -39.2 77.84 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.986 178.553 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 16' ' ' TYR . . . . . 0.474 ' CD2' ' HE2' ' B' ' 24' ' ' PHE . 0.4 OUTLIER -54.87 -37.85 66.77 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.937 -1.029 . . . . 0.0 110.745 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.437 ' HG ' ' HB1' ' H' ' 14' ' ' ALA . 4.0 mm? -80.84 -43.55 19.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.646 179.307 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.41 HG23 ' O ' ' B' ' 14' ' ' ALA . 88.8 t -59.06 -48.34 87.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.522 179.629 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 19' ' ' CYS . . . . . 0.622 ' HB3' ' HB2' ' B' ' 22' ' ' ARG . 66.6 m -72.22 -28.36 63.12 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.877 178.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.96 -98.34 0.29 Allowed Glycine 0 N--CA 1.452 -0.297 0 CA-C-N 115.718 -0.674 . . . . 0.0 113.951 178.457 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -93.34 5.64 50.86 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.257 0.551 . . . . 0.0 110.761 -178.722 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' ARG . . . . . 0.622 ' HB2' ' HB3' ' B' ' 19' ' ' CYS . 47.4 mtt85 -103.4 174.38 5.89 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.097 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 23' ' ' GLY . . . . . 0.745 ' HA2' ' HD2' ' D' ' 28' ' ' PRO . . . -99.61 -171.84 30.53 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.382 -0.914 . . . . 0.0 111.22 178.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 24' ' ' PHE . . . . . 0.474 ' HE2' ' CD2' ' B' ' 16' ' ' TYR . 5.0 p90 -156.65 149.23 23.54 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.217 0.532 . . . . 0.0 110.252 178.731 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 8.1 p90 -114.92 116.71 28.95 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 179.206 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -105.11 120.77 42.32 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.222 -179.159 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 3.0 p -123.68 88.89 51.74 Favored Pre-proline 0 C--N 1.32 -0.684 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -178.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' PRO . . . . . 0.722 ' HD2' ' HA2' ' D' ' 23' ' ' GLY . 86.5 Cg_endo -83.07 13.32 2.68 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 122.906 2.404 . . . . 0.0 109.829 177.363 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 69.8 tttt -110.74 128.9 55.91 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 114.028 -1.442 . . . . 0.0 109.339 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 11.4 t . . . . . 0 C--O 1.245 0.862 0 CA-C-O 118.628 -0.701 . . . . 0.0 109.831 179.891 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.828 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 12.4 tt -82.96 -35.81 12.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 120.925 0.393 . . . . 0.0 111.224 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 3' ' ' VAL . . . . . 0.521 HG11 ' HG3' ' D' ' 4' ' ' GLN . 93.5 t -62.65 -59.91 3.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.753 0.311 . . . . 0.0 110.778 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -79.19 61.05 3.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.6 0.714 . . . . 0.0 111.124 179.472 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 5' ' ' GLN . . . . . 0.458 ' HG2' ' SG ' ' C' ' 11' ' ' CYS . 32.3 tt0 -171.54 -44.27 0.02 OUTLIER 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 114.337 -1.301 . . . . 0.0 107.658 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 90.9 m -88.39 -39.64 14.14 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.573 -1.194 . . . . 0.0 111.33 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 7' ' ' CYS . . . . . . . . . . . . . 80.1 m -91.08 16.01 10.52 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.153 0.501 . . . . 0.0 110.082 178.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 23.5 m -102.08 -46.59 4.81 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.497 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 5.2 p -155.79 22.88 0.39 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.684 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 10' ' ' ILE . . . . . 0.662 HG13 ' H6 ' ' C' ' 22' ' ' IPH . 2.3 mp 69.78 127.01 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 CA-C-N 115.283 -0.871 . . . . 0.0 111.384 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 11' ' ' CYS . . . . . 0.458 ' SG ' ' HG2' ' C' ' 5' ' ' GLN . 84.1 m -82.85 146.7 28.75 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.056 179.718 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 12' ' ' SER . . . . . 0.431 ' HB2' ' HG3' ' C' ' 15' ' ' GLN . 19.5 m -75.77 151.35 37.58 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 178.502 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 13' ' ' LEU . . . . . 0.937 HD11 HD11 ' I' ' 13' ' ' LEU . 7.3 tt -51.84 -48.09 64.12 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -178.333 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -65.4 -22.74 66.82 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 -179.009 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 15' ' ' GLN . . . . . 0.431 ' HG3' ' HB2' ' C' ' 12' ' ' SER . 85.3 mt-30 -75.73 -29.17 58.81 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.293 0.568 . . . . 0.0 109.976 178.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 16' ' ' LEU . . . . . 0.701 ' HB3' HD23 ' D' ' 15' ' ' LEU . 85.1 mt -76.62 -24.5 53.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.389 -179.668 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -60.99 -23.72 65.59 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 112.022 0.378 . . . . 0.0 112.022 -179.463 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 67.1 m-20 -80.61 -3.63 51.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.52 -179.206 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 18.1 m-30 -105.77 13.71 29.25 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.946 0.403 . . . . 0.0 111.062 -178.571 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 76.7 m -84.79 154.8 22.13 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.962 179.502 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.394 -0.812 . . . . 0.0 109.381 179.476 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 25.7 t80 . . . . . 0 N--CA 1.479 0.996 0 CA-C-O 120.468 0.175 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 2' ' ' VAL . . . . . 0.51 ' O ' ' HG ' ' D' ' 6' ' ' LEU . 16.5 m -68.76 -32.59 55.49 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 -178.675 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 3' ' ' ASN . . . . . 0.408 ' HA ' ' HB2' ' D' ' 6' ' ' LEU . 9.8 m-20 -62.43 -18.84 62.65 Favored 'General case' 0 C--O 1.223 -0.303 0 CA-C-O 120.948 0.404 . . . . 0.0 110.802 179.661 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 4' ' ' GLN . . . . . 0.521 ' HG3' HG11 ' C' ' 3' ' ' VAL . 66.2 tt0 -68.36 -17.8 64.33 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.05 0.452 . . . . 0.0 109.806 178.49 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 5' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -117.59 10.53 13.47 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.51 0.672 . . . . 0.0 109.752 179.168 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 6' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' D' ' 2' ' ' VAL . 50.6 mt -125.23 -64.14 1.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.558 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 7' ' ' CYS . . . . . 0.434 ' HB2' HD13 ' L' ' 6' ' ' LEU . 3.1 t -62.22 -46.95 86.6 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.711 -1.131 . . . . 0.0 109.289 178.521 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 8' ' ' GLY . . . . . 0.659 ' HA2' ' HG ' ' D' ' 11' ' ' LEU . . . -58.94 -29.63 65.27 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.339 179.079 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 9' ' ' SER . . . . . 0.706 ' HB3' ' HG2' ' B' ' 13' ' ' GLU . 7.4 m -71.77 -1.02 12.53 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.689 0.281 . . . . 0.0 111.259 179.609 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 10' ' ' HIS . . . . . . . . . . . . . 69.7 m-70 -120.69 -11.06 9.08 Favored 'General case' 0 CA--C 1.51 -0.562 0 CA-C-O 120.801 0.334 . . . . 0.0 111.29 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 11' ' ' LEU . . . . . 0.659 ' HG ' ' HA2' ' D' ' 8' ' ' GLY . 13.9 mt -69.42 -22.2 63.7 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 107.294 -1.373 . . . . 0.0 107.294 176.698 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 12' ' ' VAL . . . . . 0.46 HG21 HG21 ' B' ' 12' ' ' VAL . 12.0 m -67.76 -46.42 82.52 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 CA-C-N 114.707 -1.133 . . . . 0.0 111.588 179.275 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 13' ' ' GLU . . . . . 0.69 ' HG2' ' HB3' ' B' ' 9' ' ' SER . 19.0 mt-10 -62.94 -29.61 70.93 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 178.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 14' ' ' ALA . . . . . 0.466 ' CB ' ' H3 ' ' C' ' 22' ' ' IPH . . . -69.26 -52.61 25.92 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.477 177.36 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 15' ' ' LEU . . . . . 0.701 HD23 ' HB3' ' C' ' 16' ' ' LEU . 91.7 mt -58.36 -39.16 78.79 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.833 178.691 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 16' ' ' TYR . . . . . 0.498 ' CD2' ' HE2' ' D' ' 24' ' ' PHE . 0.4 OUTLIER -54.88 -37.98 66.96 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.982 -1.008 . . . . 0.0 110.741 179.833 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' D' D ' 17' ' ' LEU . . . . . 0.428 ' HG ' ' HB1' ' J' ' 14' ' ' ALA . 4.0 mm? -80.82 -43.82 19.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.525 179.128 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 18' ' ' VAL . . . . . 0.418 HG23 ' O ' ' D' ' 14' ' ' ALA . 85.2 t -58.79 -48.34 86.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.558 179.63 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 19' ' ' CYS . . . . . 0.651 ' HB3' ' HB2' ' D' ' 22' ' ' ARG . 71.4 m -72.32 -28.12 62.87 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.918 179.107 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.39 -99.21 0.31 Allowed Glycine 0 C--N 1.33 0.231 0 CA-C-N 115.492 -0.776 . . . . 0.0 113.78 178.628 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -91.56 4.26 53.04 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.293 0.568 . . . . 0.0 110.92 -178.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 22' ' ' ARG . . . . . 0.651 ' HB2' ' HB3' ' D' ' 19' ' ' CYS . 47.0 mtt85 -102.21 173.97 6.13 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.04 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 23' ' ' GLY . . . . . 0.722 ' HA2' ' HD2' ' B' ' 28' ' ' PRO . . . -99.97 -171.7 30.04 Favored Glycine 0 N--CA 1.443 -0.846 0 C-N-CA 120.394 -0.907 . . . . 0.0 111.102 178.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 24' ' ' PHE . . . . . 0.498 ' HE2' ' CD2' ' D' ' 16' ' ' TYR . 5.1 p90 -156.66 149.14 23.43 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.274 0.559 . . . . 0.0 110.351 178.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 25' ' ' PHE . . . . . . . . . . . . . 7.4 p90 -114.44 117.76 31.91 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 179.137 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 26' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -106.14 120.17 41.11 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.077 0.465 . . . . 0.0 110.089 -179.145 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 27' ' ' THR . . . . . . . . . . . . . 3.0 p -123.0 88.23 50.89 Favored Pre-proline 0 C--N 1.321 -0.648 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -178.716 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 28' ' ' PRO . . . . . 0.745 ' HD2' ' HA2' ' B' ' 23' ' ' GLY . 87.7 Cg_endo -82.15 11.36 3.18 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.615 2.21 . . . . 0.0 109.646 177.388 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 68.3 tttt -108.83 126.97 53.61 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.097 -1.41 . . . . 0.0 109.822 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 12.9 t . . . . . 0 C--O 1.246 0.875 0 CA-C-O 118.655 -0.688 . . . . 0.0 109.705 179.718 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.961 0 N-CA-C 111.987 -0.445 . . . . 0.0 111.987 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' E' E ' 2' ' ' ILE . . . . . . . . . . . . . 11.9 tt -81.35 -36.55 14.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-O 120.683 0.278 . . . . 0.0 111.197 -179.337 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 3' ' ' VAL . . . . . 0.522 HG11 ' HG3' ' F' ' 4' ' ' GLN . 93.9 t -61.78 -59.74 3.83 Favored 'Isoleucine or valine' 0 C--O 1.238 0.457 0 CA-C-O 120.783 0.325 . . . . 0.0 110.96 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 4' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -79.12 59.23 2.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.753 0.787 . . . . 0.0 111.177 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 5' ' ' GLN . . . . . 0.454 ' HG2' ' SG ' ' E' ' 11' ' ' CYS . 31.7 tt0 -170.12 -42.13 0.02 OUTLIER 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 114.432 -1.258 . . . . 0.0 107.878 179.778 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 6' ' ' CYS . . . . . . . . . . . . . 89.5 m -90.22 -39.89 12.52 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.649 -1.16 . . . . 0.0 110.91 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 7' ' ' CYS . . . . . . . . . . . . . 80.6 m -91.1 16.82 8.97 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.138 0.494 . . . . 0.0 110.097 178.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 25.4 m -103.55 -45.76 4.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.528 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 9' ' ' SER . . . . . . . . . . . . . 7.6 p -156.25 23.1 0.36 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.568 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 10' ' ' ILE . . . . . 0.665 HG13 ' H6 ' ' E' ' 22' ' ' IPH . 2.3 mp 69.17 125.43 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.704 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 11' ' ' CYS . . . . . 0.454 ' SG ' ' HG2' ' E' ' 5' ' ' GLN . 84.4 m -81.29 146.02 30.62 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.95 179.588 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 12' ' ' SER . . . . . 0.423 ' HB2' ' HG3' ' E' ' 15' ' ' GLN . 19.7 m -75.58 150.5 38.04 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 178.383 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 13' ' ' LEU . . . . . 0.916 HD11 HD11 ' K' ' 13' ' ' LEU . 7.1 tt -51.0 -48.05 61.44 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -178.308 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -65.68 -22.51 66.64 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -179.044 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 15' ' ' GLN . . . . . 0.423 ' HG3' ' HB2' ' E' ' 12' ' ' SER . 85.4 mt-30 -76.03 -28.65 57.8 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 178.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 16' ' ' LEU . . . . . 0.715 ' HB3' HD23 ' F' ' 15' ' ' LEU . 86.2 mt -77.7 -24.5 49.23 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.525 -179.631 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 17' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -61.32 -22.4 64.86 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 111.914 0.339 . . . . 0.0 111.914 -179.462 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 18' ' ' ASN . . . . . . . . . . . . . 67.3 m-20 -81.17 -6.04 58.39 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.812 0.339 . . . . 0.0 111.265 -179.297 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 19' ' ' TYR . . . . . . . . . . . . . 17.4 m-30 -103.32 13.3 34.07 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.037 0.446 . . . . 0.0 111.435 -178.623 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 20' ' ' CYS . . . . . . . . . . . . . 76.2 m -84.4 153.41 23.44 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.752 179.465 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 21' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 . . . . . 0 C--O 1.253 1.287 0 CA-C-O 118.476 -0.773 . . . . 0.0 109.895 179.807 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' F' F ' 1' ' ' PHE . . . . . . . . . . . . . 30.5 t80 . . . . . 0 N--CA 1.481 1.092 0 CA-C-O 120.727 0.299 . . . . 0.0 111.471 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' F' F ' 2' ' ' VAL . . . . . 0.533 ' O ' ' HG ' ' F' ' 6' ' ' LEU . 15.6 m -69.2 -31.1 48.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -178.146 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' F' F ' 3' ' ' ASN . . . . . 0.42 ' HA ' ' HB2' ' F' ' 6' ' ' LEU . 10.1 m-20 -63.19 -19.1 64.2 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-O 120.994 0.426 . . . . 0.0 110.799 179.486 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' F' F ' 4' ' ' GLN . . . . . 0.522 ' HG3' HG11 ' E' ' 3' ' ' VAL . 66.1 tt0 -68.08 -17.4 64.37 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.31 0.576 . . . . 0.0 109.991 178.669 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' F' F ' 5' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -118.31 10.88 12.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.412 0.625 . . . . 0.0 109.717 179.171 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 6' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' F' ' 2' ' ' VAL . 54.0 mt -125.79 -63.68 1.11 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.673 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' F' F ' 7' ' ' CYS . . . . . 0.462 ' HB2' HD13 ' J' ' 6' ' ' LEU . 2.6 t -63.2 -46.53 86.61 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.777 -1.102 . . . . 0.0 109.157 178.428 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' F' F ' 8' ' ' GLY . . . . . 0.65 ' HA2' ' HG ' ' F' ' 11' ' ' LEU . . . -58.72 -29.77 64.81 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.653 -0.785 . . . . 0.0 112.343 178.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' F' F ' 9' ' ' SER . . . . . 0.677 ' HB3' ' HG2' ' H' ' 13' ' ' GLU . 7.4 m -71.75 -1.38 13.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.664 0.268 . . . . 0.0 111.438 179.732 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' F' F ' 10' ' ' HIS . . . . . . . . . . . . . 72.7 m-70 -120.39 -10.79 9.24 Favored 'General case' 0 CA--C 1.513 -0.472 0 CA-C-O 120.759 0.314 . . . . 0.0 111.227 179.658 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 11' ' ' LEU . . . . . 0.65 ' HG ' ' HA2' ' F' ' 8' ' ' GLY . 14.4 mt -69.74 -21.92 63.41 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 107.209 -1.404 . . . . 0.0 107.209 176.867 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' F' F ' 12' ' ' VAL . . . . . 0.45 HG21 HG21 ' H' ' 12' ' ' VAL . 11.9 m -68.0 -46.36 81.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 CA-C-N 114.546 -1.206 . . . . 0.0 111.461 179.328 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' F' F ' 13' ' ' GLU . . . . . 0.677 ' HG2' ' HB3' ' H' ' 9' ' ' SER . 18.8 mt-10 -63.21 -29.48 70.81 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 178.846 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' F' F ' 14' ' ' ALA . . . . . 0.464 ' CB ' ' H3 ' ' E' ' 22' ' ' IPH . . . -69.25 -52.84 23.63 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.429 177.388 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' F' F ' 15' ' ' LEU . . . . . 0.715 HD23 ' HB3' ' E' ' 16' ' ' LEU . 91.1 mt -58.12 -39.12 77.89 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.97 178.537 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' F' F ' 16' ' ' TYR . . . . . 0.491 ' CD2' ' HE2' ' F' ' 24' ' ' PHE . 0.4 OUTLIER -54.78 -37.97 66.67 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.019 -0.991 . . . . 0.0 110.851 179.895 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' F' F ' 17' ' ' LEU . . . . . 0.415 HD13 ' HA ' ' F' ' 17' ' ' LEU . 4.0 mm? -80.72 -44.17 19.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.501 179.196 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' F' F ' 18' ' ' VAL . . . . . 0.407 HG23 ' O ' ' F' ' 14' ' ' ALA . 89.3 t -58.61 -48.15 86.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.487 179.57 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' F' F ' 19' ' ' CYS . . . . . 0.631 ' HB3' ' HB2' ' F' ' 22' ' ' ARG . 69.4 m -72.44 -28.02 62.68 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.979 179.077 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' F' F ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.39 -99.37 0.33 Allowed Glycine 0 N--CA 1.452 -0.273 0 CA-C-N 115.563 -0.744 . . . . 0.0 113.763 178.522 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 21' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -92.44 6.81 45.68 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.115 0.483 . . . . 0.0 110.743 -178.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 22' ' ' ARG . . . . . 0.631 ' HB2' ' HB3' ' F' ' 19' ' ' CYS . 46.6 mtt85 -104.44 173.84 6.13 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.751 -0.658 . . . . 0.0 109.857 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' F' F ' 23' ' ' GLY . . . . . 0.729 ' HA2' ' HD2' ' H' ' 28' ' ' PRO . . . -99.27 -172.29 31.06 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.385 -0.912 . . . . 0.0 111.051 178.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' F' F ' 24' ' ' PHE . . . . . 0.491 ' HE2' ' CD2' ' F' ' 16' ' ' TYR . 4.9 p90 -156.37 149.01 23.73 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.213 0.53 . . . . 0.0 110.473 178.787 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' F' F ' 25' ' ' PHE . . . . . . . . . . . . . 8.0 p90 -114.44 117.78 31.96 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 179.059 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 26' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -106.31 120.24 41.35 Favored 'General case' 0 N--CA 1.445 -0.687 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.175 -179.168 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 27' ' ' THR . . . . . . . . . . . . . 2.8 p -123.2 88.51 51.19 Favored Pre-proline 0 C--N 1.318 -0.77 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 -178.653 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 28' ' ' PRO . . . . . 0.71 ' HD2' ' HA2' ' H' ' 23' ' ' GLY . 93.5 Cg_endo -82.39 11.53 3.15 Favored 'Trans proline' 0 N--CA 1.46 -0.487 0 C-N-CA 122.614 2.209 . . . . 0.0 109.676 177.418 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' F' F ' 29' ' ' LYS . . . . . . . . . . . . . 68.3 tttt -109.41 126.87 53.91 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 114.049 -1.432 . . . . 0.0 109.819 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 30' ' ' THR . . . . . . . . . . . . . 9.2 t . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.625 -0.702 . . . . 0.0 109.566 179.742 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' G' G ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.887 0 N-CA-C 111.507 -0.637 . . . . 0.0 111.507 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' G' G ' 2' ' ' ILE . . . . . . . . . . . . . 11.6 tt -82.25 -36.17 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 120.736 0.303 . . . . 0.0 111.332 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 3' ' ' VAL . . . . . 0.544 HG11 ' HG3' ' H' ' 4' ' ' GLN . 87.6 t -62.31 -58.84 5.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.856 0.36 . . . . 0.0 110.697 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' G' G ' 4' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -79.98 61.6 3.92 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.706 0.765 . . . . 0.0 110.847 179.665 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 5' ' ' GLN . . . . . 0.462 ' HG2' ' SG ' ' G' ' 11' ' ' CYS . 32.6 tt0 -172.19 -44.84 0.02 OUTLIER 'General case' 0 C--N 1.31 -1.146 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' G' G ' 6' ' ' CYS . . . . . . . . . . . . . 95.5 m -87.99 -39.64 14.52 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.653 -1.158 . . . . 0.0 111.109 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 7' ' ' CYS . . . . . . . . . . . . . 79.4 m -91.05 17.2 8.31 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.165 0.507 . . . . 0.0 110.107 178.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 8' ' ' THR . . . . . . . . . . . . . 22.8 m -103.82 -45.89 4.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.435 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 9' ' ' SER . . . . . . . . . . . . . 3.6 p -156.43 22.78 0.35 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.802 179.614 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 10' ' ' ILE . . . . . 0.652 HG13 ' H6 ' ' G' ' 22' ' ' IPH . 2.3 mp 70.1 125.84 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.726 179.796 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' G' G ' 11' ' ' CYS . . . . . 0.462 ' SG ' ' HG2' ' G' ' 5' ' ' GLN . 81.1 m -81.77 146.93 29.69 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.071 179.691 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' G' G ' 12' ' ' SER . . . . . 0.437 ' HB2' ' HG3' ' G' ' 15' ' ' GLN . 14.7 m -75.58 151.77 37.81 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 178.372 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' G' G ' 13' ' ' LEU . . . . . 0.92 HD11 HD11 ' A' ' 13' ' ' LEU . 7.3 tt -52.4 -47.37 66.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 123.378 0.424 . . . . 0.0 112.039 -178.667 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -66.11 -22.15 66.38 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 -179.058 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 15' ' ' GLN . . . . . 0.437 ' HG3' ' HB2' ' G' ' 12' ' ' SER . 85.0 mt-30 -77.18 -27.23 53.58 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.188 0.518 . . . . 0.0 109.868 178.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' G' G ' 16' ' ' LEU . . . . . 0.713 ' HB3' HD23 ' H' ' 15' ' ' LEU . 85.6 mt -78.62 -24.47 45.3 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.262 -179.594 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' G' G ' 17' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -61.04 -23.48 65.47 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.807 -179.537 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 18' ' ' ASN . . . . . . . . . . . . . 68.4 m-20 -80.81 -4.17 53.7 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.485 -179.176 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 19' ' ' TYR . . . . . . . . . . . . . 17.5 m-30 -105.47 14.36 28.78 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.969 0.414 . . . . 0.0 111.215 -178.618 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 20' ' ' CYS . . . . . . . . . . . . . 77.4 m -85.28 154.23 22.06 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.158 179.462 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 21' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 . . . . . 0 C--O 1.253 1.255 0 CA-C-O 118.498 -0.763 . . . . 0.0 109.45 179.659 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' H' H ' 1' ' ' PHE . . . . . . . . . . . . . 28.1 t80 . . . . . 0 N--CA 1.48 1.071 0 N-CA-C 111.528 0.195 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' H' H ' 2' ' ' VAL . . . . . 0.516 ' O ' ' HG ' ' H' ' 6' ' ' LEU . 16.0 m -67.64 -32.23 55.96 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.185 0 N-CA-C 112.856 0.687 . . . . 0.0 112.856 -178.192 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' H' H ' 3' ' ' ASN . . . . . 0.438 ' HA ' ' HB2' ' H' ' 6' ' ' LEU . 11.3 m-20 -62.89 -18.76 63.43 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-O 120.927 0.394 . . . . 0.0 110.822 179.443 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' H' H ' 4' ' ' GLN . . . . . 0.544 ' HG3' HG11 ' G' ' 3' ' ' VAL . 66.2 tt0 -68.24 -17.75 64.38 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-O 121.1 0.476 . . . . 0.0 109.884 178.557 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' H' H ' 5' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -118.14 11.4 13.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.433 0.635 . . . . 0.0 109.578 179.205 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' H' H ' 6' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' H' ' 2' ' ' VAL . 54.1 mt -126.04 -64.37 1.05 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.505 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' H' H ' 7' ' ' CYS . . . . . 0.457 ' HB2' HD13 ' D' ' 6' ' ' LEU . 2.9 t -62.59 -46.61 87.53 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.739 -1.119 . . . . 0.0 109.403 178.363 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' H' H ' 8' ' ' GLY . . . . . 0.649 ' HA2' ' HG ' ' H' ' 11' ' ' LEU . . . -59.05 -29.67 65.68 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.32 178.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' H' H ' 9' ' ' SER . . . . . 0.677 ' HB3' ' HG2' ' F' ' 13' ' ' GLU . 7.7 m -71.82 -1.12 12.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.706 0.289 . . . . 0.0 111.323 179.621 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' H' H ' 10' ' ' HIS . . . . . . . . . . . . . 70.1 m-70 -120.77 -10.82 9.1 Favored 'General case' 0 CA--C 1.509 -0.627 0 CA-C-O 120.763 0.316 . . . . 0.0 111.309 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' H' H ' 11' ' ' LEU . . . . . 0.649 ' HG ' ' HA2' ' H' ' 8' ' ' GLY . 14.3 mt -69.85 -21.77 63.32 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 176.873 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' H' H ' 12' ' ' VAL . . . . . 0.45 HG21 HG21 ' F' ' 12' ' ' VAL . 11.3 m -67.99 -46.44 81.81 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 CA-C-N 114.575 -1.193 . . . . 0.0 111.583 179.332 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' H' H ' 13' ' ' GLU . . . . . 0.677 ' HG2' ' HB3' ' F' ' 9' ' ' SER . 19.5 mt-10 -62.86 -29.82 71.04 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 178.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' H' H ' 14' ' ' ALA . . . . . 0.447 ' CB ' ' H3 ' ' G' ' 22' ' ' IPH . . . -69.17 -52.66 25.81 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.445 177.428 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' H' H ' 15' ' ' LEU . . . . . 0.713 HD23 ' HB3' ' G' ' 16' ' ' LEU . 91.1 mt -57.83 -39.16 77.0 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.499 0.666 . . . . 0.0 110.092 178.539 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' H' H ' 16' ' ' TYR . . . . . 0.493 ' CD2' ' HE2' ' H' ' 24' ' ' PHE . 0.4 OUTLIER -54.85 -37.77 66.62 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.759 -1.11 . . . . 0.0 110.809 179.883 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' H' H ' 17' ' ' LEU . . . . . 0.428 ' HG ' ' HB1' ' B' ' 14' ' ' ALA . 4.1 mm? -81.42 -43.31 19.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.4 179.357 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' H' H ' 18' ' ' VAL . . . . . 0.407 HG23 ' O ' ' H' ' 14' ' ' ALA . 84.8 t -59.31 -48.19 87.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.5 179.602 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' H' H ' 19' ' ' CYS . . . . . 0.634 ' HB3' ' HB2' ' H' ' 22' ' ' ARG . 73.7 m -72.39 -28.76 63.19 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.833 179.07 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' H' H ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.39 -98.82 0.34 Allowed Glycine 0 N--CA 1.452 -0.235 0 CA-C-N 115.605 -0.725 . . . . 0.0 113.939 178.516 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' H' H ' 21' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -92.93 6.62 47.16 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.123 0.487 . . . . 0.0 110.781 -178.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' H' H ' 22' ' ' ARG . . . . . 0.634 ' HB2' ' HB3' ' H' ' 19' ' ' CYS . 48.7 mtt85 -104.46 173.71 6.19 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.705 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' H' H ' 23' ' ' GLY . . . . . 0.71 ' HA2' ' HD2' ' F' ' 28' ' ' PRO . . . -99.63 -171.95 30.53 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.408 -0.901 . . . . 0.0 111.184 178.84 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' H' H ' 24' ' ' PHE . . . . . 0.493 ' HE2' ' CD2' ' H' ' 16' ' ' TYR . 5.2 p90 -156.48 149.28 23.84 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.208 0.528 . . . . 0.0 110.437 178.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' H' H ' 25' ' ' PHE . . . . . . . . . . . . . 8.0 p90 -114.62 118.02 32.51 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 179.095 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' H' H ' 26' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -106.61 119.86 40.43 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.323 -179.125 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' H' H ' 27' ' ' THR . . . . . . . . . . . . . 3.8 p -122.86 89.3 50.41 Favored Pre-proline 0 C--N 1.318 -0.782 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -178.741 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' H' H ' 28' ' ' PRO . . . . . 0.729 ' HD2' ' HA2' ' F' ' 23' ' ' GLY . 86.3 Cg_endo -82.68 11.26 3.28 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.591 2.194 . . . . 0.0 109.73 177.406 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' H' H ' 29' ' ' LYS . . . . . . . . . . . . . 69.2 tttt -108.48 129.31 55.28 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 113.904 -1.498 . . . . 0.0 109.401 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' H' H ' 30' ' ' THR . . . . . . . . . . . . . 13.5 t . . . . . 0 C--O 1.248 0.986 0 CA-C-O 118.609 -0.71 . . . . 0.0 109.77 179.949 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' I' I ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.625 0 N-CA-C 111.412 -0.675 . . . . 0.0 111.412 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' I' I ' 2' ' ' ILE . . . . . . . . . . . . . 12.5 tt -81.9 -36.1 13.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.7 0.286 . . . . 0.0 111.31 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 3' ' ' VAL . . . . . 0.544 HG11 ' HG3' ' J' ' 4' ' ' GLN . 86.6 t -62.08 -59.21 4.68 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.968 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' I' I ' 4' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -79.72 59.72 3.16 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.674 0.749 . . . . 0.0 111.117 179.246 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 5' ' ' GLN . . . . . 0.447 ' HG2' ' SG ' ' I' ' 11' ' ' CYS . 31.4 tt0 -170.34 -44.27 0.02 OUTLIER 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 114.301 -1.318 . . . . 0.0 107.62 179.758 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' I' I ' 6' ' ' CYS . . . . . . . . . . . . . 96.0 m -88.57 -39.27 14.25 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 114.594 -1.184 . . . . 0.0 111.226 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 7' ' ' CYS . . . . . . . . . . . . . 79.7 m -91.8 17.57 8.89 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.176 0.512 . . . . 0.0 110.007 178.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 8' ' ' THR . . . . . . . . . . . . . 22.7 m -103.74 -45.92 4.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.536 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 9' ' ' SER . . . . . . . . . . . . . 3.7 p -156.28 22.26 0.36 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.702 179.683 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 10' ' ' ILE . . . . . 0.655 HG13 ' H6 ' ' I' ' 22' ' ' IPH . 2.3 mp 70.39 127.7 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.399 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' I' I ' 11' ' ' CYS . . . . . 0.447 ' SG ' ' HG2' ' I' ' 5' ' ' GLN . 76.2 m -83.81 146.66 28.01 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.858 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' I' I ' 12' ' ' SER . . . . . . . . . . . . . 19.5 m -75.43 151.94 38.03 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 178.602 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 13' ' ' LEU . . . . . 0.937 HD11 HD11 ' C' ' 13' ' ' LEU . 7.3 tt -52.51 -47.64 66.5 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -178.57 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -65.55 -23.47 66.87 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -179.022 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -75.13 -28.98 60.4 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.104 0.478 . . . . 0.0 110.052 178.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 16' ' ' LEU . . . . . 0.708 ' HB3' HD23 ' J' ' 15' ' ' LEU . 84.9 mt -76.91 -24.71 52.47 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.48 -179.552 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' I' I ' 17' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -61.01 -22.59 64.68 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.868 0.366 . . . . 0.0 111.919 -179.559 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 18' ' ' ASN . . . . . . . . . . . . . 64.0 m-20 -81.77 -3.27 53.41 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.381 -178.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 19' ' ' TYR . . . . . . . . . . . . . 18.2 m-30 -106.46 14.25 27.44 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.942 0.401 . . . . 0.0 111.23 -178.464 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 20' ' ' CYS . . . . . . . . . . . . . 78.9 m -85.05 156.01 21.28 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.023 179.548 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 21' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 . . . . . 0 C--O 1.254 1.321 0 CA-C-O 118.222 -0.894 . . . . 0.0 109.585 179.722 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' J' J ' 1' ' ' PHE . . . . . . . . . . . . . 28.2 t80 . . . . . 0 N--CA 1.482 1.134 0 CA-C-O 120.669 0.271 . . . . 0.0 111.73 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' J' J ' 2' ' ' VAL . . . . . 0.526 ' O ' ' HG ' ' J' ' 6' ' ' LEU . 16.4 m -69.1 -32.12 52.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 -178.182 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' J' J ' 3' ' ' ASN . . . . . 0.423 ' HA ' ' HB2' ' J' ' 6' ' ' LEU . 10.8 m-20 -62.92 -18.68 63.4 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-O 121.031 0.443 . . . . 0.0 110.91 179.549 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' J' J ' 4' ' ' GLN . . . . . 0.544 ' HG3' HG11 ' I' ' 3' ' ' VAL . 65.8 tt0 -68.65 -17.06 64.02 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.216 0.531 . . . . 0.0 109.86 178.49 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' J' J ' 5' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -118.73 11.06 12.61 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.383 0.611 . . . . 0.0 109.598 179.162 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' J' J ' 6' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' J' ' 2' ' ' VAL . 53.8 mt -125.68 -64.4 1.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.388 179.712 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' J' J ' 7' ' ' CYS . . . . . 0.436 ' HB2' HD13 ' B' ' 6' ' ' LEU . 3.4 t -62.11 -46.67 88.03 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.745 -1.116 . . . . 0.0 109.385 178.16 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' J' J ' 8' ' ' GLY . . . . . 0.623 ' HA2' ' HG ' ' J' ' 11' ' ' LEU . . . -58.73 -29.92 65.07 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.315 178.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' J' J ' 9' ' ' SER . . . . . 0.701 ' HB3' ' HG2' ' L' ' 13' ' ' GLU . 8.2 m -71.74 -1.44 13.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.717 0.294 . . . . 0.0 111.337 179.746 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' J' J ' 10' ' ' HIS . . . . . . . . . . . . . 71.4 m-70 -120.59 -10.85 9.16 Favored 'General case' 0 CA--C 1.509 -0.62 0 CA-C-O 120.823 0.344 . . . . 0.0 111.277 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' J' J ' 11' ' ' LEU . . . . . 0.623 ' HG ' ' HA2' ' J' ' 8' ' ' GLY . 13.5 mt -69.97 -21.49 63.24 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 176.805 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' J' J ' 12' ' ' VAL . . . . . 0.448 ' O ' ' HB2' ' J' ' 16' ' ' TYR . 12.1 m -68.24 -46.1 81.67 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 CA-C-N 114.713 -1.131 . . . . 0.0 111.583 179.32 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' J' J ' 13' ' ' GLU . . . . . 0.71 ' HG2' ' HB3' ' L' ' 9' ' ' SER . 19.2 mt-10 -63.28 -29.52 70.83 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 178.776 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' J' J ' 14' ' ' ALA . . . . . 0.48 ' CB ' ' H3 ' ' I' ' 22' ' ' IPH . . . -69.25 -52.99 22.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.438 177.39 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' J' J ' 15' ' ' LEU . . . . . 0.708 HD23 ' HB3' ' I' ' 16' ' ' LEU . 94.1 mt -57.78 -39.1 76.69 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.051 178.512 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' J' J ' 16' ' ' TYR . . . . . 0.497 ' CD2' ' HE2' ' J' ' 24' ' ' PHE . 0.5 OUTLIER -54.74 -38.17 66.81 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.829 -1.078 . . . . 0.0 110.948 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' J' J ' 17' ' ' LEU . . . . . 0.406 HD13 ' HA ' ' J' ' 17' ' ' LEU . 4.0 mm? -81.03 -43.44 19.56 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.583 179.214 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' J' J ' 18' ' ' VAL . . . . . 0.413 HG23 ' O ' ' J' ' 14' ' ' ALA . 84.3 t -59.08 -47.49 89.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.557 179.504 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' J' J ' 19' ' ' CYS . . . . . 0.626 ' HB3' ' HB2' ' J' ' 22' ' ' ARG . 73.4 m -73.17 -29.17 62.66 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.776 179.027 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' J' J ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.34 -99.75 0.41 Allowed Glycine 0 N--CA 1.451 -0.346 0 CA-C-N 115.517 -0.765 . . . . 0.0 113.772 178.555 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' J' J ' 21' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -91.11 4.43 52.19 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.25 0.548 . . . . 0.0 110.935 -178.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' J' J ' 22' ' ' ARG . . . . . 0.626 ' HB2' ' HB3' ' J' ' 19' ' ' CYS . 49.0 mtt85 -102.43 174.68 5.8 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.027 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' J' J ' 23' ' ' GLY . . . . . 0.726 ' HA2' ' HD2' ' L' ' 28' ' ' PRO . . . -100.36 -171.79 29.57 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.411 -0.9 . . . . 0.0 111.139 179.052 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' J' J ' 24' ' ' PHE . . . . . 0.497 ' HE2' ' CD2' ' J' ' 16' ' ' TYR . 5.0 p90 -156.65 149.31 23.61 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.189 0.519 . . . . 0.0 110.274 178.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' J' J ' 25' ' ' PHE . . . . . . . . . . . . . 8.0 p90 -114.6 117.69 31.6 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 179.064 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' J' J ' 26' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -106.09 120.08 40.88 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.316 -179.24 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' J' J ' 27' ' ' THR . . . . . . . . . . . . . 3.9 p -122.87 88.99 50.49 Favored Pre-proline 0 C--N 1.323 -0.579 0 N-CA-C 112.818 0.674 . . . . 0.0 112.818 -178.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' J' J ' 28' ' ' PRO . . . . . 0.719 ' HD2' ' HA2' ' L' ' 23' ' ' GLY . 90.2 Cg_endo -82.65 11.8 3.1 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.745 2.297 . . . . 0.0 109.658 177.349 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' J' J ' 29' ' ' LYS . . . . . . . . . . . . . 69.8 tttt -109.06 130.53 55.48 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.038 -1.437 . . . . 0.0 109.227 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' J' J ' 30' ' ' THR . . . . . . . . . . . . . 11.6 t . . . . . 0 C--O 1.246 0.914 0 CA-C-O 118.696 -0.669 . . . . 0.0 109.589 -179.951 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.754 0 N-CA-C 111.461 -0.656 . . . . 0.0 111.461 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' K' K ' 2' ' ' ILE . . . . . . . . . . . . . 11.9 tt -81.37 -35.65 14.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.58 0.229 . . . . 0.0 111.413 -179.618 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' K' K ' 3' ' ' VAL . . . . . 0.529 HG11 ' HG3' ' L' ' 4' ' ' GLN . 98.0 t -62.87 -59.62 4.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.894 0.378 . . . . 0.0 110.668 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' K' K ' 4' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -78.77 58.95 2.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.5 0.667 . . . . 0.0 111.27 179.508 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' K' K ' 5' ' ' GLN . . . . . 0.427 ' HG2' ' SG ' ' K' ' 11' ' ' CYS . 32.0 tt0 -170.02 -43.37 0.02 OUTLIER 'General case' 0 C--N 1.311 -1.07 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' K' K ' 6' ' ' CYS . . . . . . . . . . . . . 92.3 m -89.09 -39.47 13.61 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.634 -1.167 . . . . 0.0 111.142 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' K' K ' 7' ' ' CYS . . . . . . . . . . . . . 80.6 m -91.73 17.96 8.26 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.103 0.478 . . . . 0.0 110.017 178.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' K' K ' 8' ' ' THR . . . . . . . . . . . . . 24.5 m -104.39 -44.71 4.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.523 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' K' K ' 9' ' ' SER . . . . . . . . . . . . . 4.9 p -157.77 22.59 0.27 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.706 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' K' K ' 10' ' ' ILE . . . . . 0.661 HG13 ' H6 ' ' K' ' 22' ' ' IPH . 2.3 mp 69.81 127.41 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.619 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' K' K ' 11' ' ' CYS . . . . . 0.427 ' SG ' ' HG2' ' K' ' 5' ' ' GLN . 82.2 m -83.48 145.88 28.69 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.964 179.724 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' K' K ' 12' ' ' SER . . . . . 0.417 ' HB2' ' HG3' ' K' ' 15' ' ' GLN . 18.8 m -74.84 152.14 38.96 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 178.429 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' K' K ' 13' ' ' LEU . . . . . 0.916 HD11 HD11 ' E' ' 13' ' ' LEU . 7.3 tt -52.92 -46.89 68.29 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -178.521 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -66.09 -22.71 66.42 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -178.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' K' K ' 15' ' ' GLN . . . . . 0.417 ' HG3' ' HB2' ' K' ' 12' ' ' SER . 85.0 mt-30 -76.14 -28.83 57.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.089 0.471 . . . . 0.0 109.99 178.855 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' K' K ' 16' ' ' LEU . . . . . 0.703 ' HB3' HD23 ' L' ' 15' ' ' LEU . 85.5 mt -77.2 -24.21 51.38 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.584 -179.655 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' K' K ' 17' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -61.94 -21.98 65.23 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.884 0.373 . . . . 0.0 111.926 -179.401 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' K' K ' 18' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -81.79 -3.44 53.89 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.282 -179.289 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' K' K ' 19' ' ' TYR . . . . . . . . . . . . . 17.4 m-30 -106.52 14.91 26.53 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.873 0.368 . . . . 0.0 111.039 -178.351 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' K' K ' 20' ' ' CYS . . . . . . . . . . . . . 75.2 m -86.01 154.65 21.29 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.911 179.472 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' K' K ' 21' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 . . . . . 0 C--O 1.251 1.173 0 CA-C-O 118.278 -0.868 . . . . 0.0 109.152 179.494 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' L' L ' 1' ' ' PHE . . . . . . . . . . . . . 28.9 t80 . . . . . 0 N--CA 1.482 1.151 0 N-CA-C 111.489 0.181 . . . . 0.0 111.489 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' L' L ' 2' ' ' VAL . . . . . 0.503 ' O ' ' HG ' ' L' ' 6' ' ' LEU . 15.3 m -67.49 -32.3 56.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 -178.279 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' L' L ' 3' ' ' ASN . . . . . 0.415 ' HA ' ' HB2' ' L' ' 6' ' ' LEU . 10.3 m-20 -62.69 -17.91 61.49 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-O 121.035 0.445 . . . . 0.0 110.884 179.576 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' L' L ' 4' ' ' GLN . . . . . 0.529 ' HG3' HG11 ' K' ' 3' ' ' VAL . 66.1 tt0 -69.76 -16.9 63.39 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.255 0.55 . . . . 0.0 109.826 178.596 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' L' L ' 5' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -118.73 11.56 12.76 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.439 0.638 . . . . 0.0 109.501 179.136 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' L' L ' 6' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' L' ' 2' ' ' VAL . 54.1 mt -126.19 -64.49 1.04 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.373 -0.831 . . . . 0.0 109.478 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' L' L ' 7' ' ' CYS . . . . . 0.44 ' HB2' HD13 ' H' ' 6' ' ' LEU . 2.9 t -62.41 -46.63 87.73 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.758 -1.11 . . . . 0.0 109.305 178.498 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' L' L ' 8' ' ' GLY . . . . . 0.655 ' HA2' ' HG ' ' L' ' 11' ' ' LEU . . . -59.0 -29.69 65.55 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.231 179.069 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' L' L ' 9' ' ' SER . . . . . 0.71 ' HB3' ' HG2' ' J' ' 13' ' ' GLU . 7.4 m -71.97 -0.62 12.0 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.602 0.239 . . . . 0.0 111.256 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' L' L ' 10' ' ' HIS . . . . . . . . . . . . . 69.1 m-70 -121.22 -11.12 8.87 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-O 120.88 0.372 . . . . 0.0 111.216 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' L' L ' 11' ' ' LEU . . . . . 0.655 ' HG ' ' HA2' ' L' ' 8' ' ' GLY . 13.9 mt -69.39 -21.77 63.75 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 176.826 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' L' L ' 12' ' ' VAL . . . . . 0.437 ' O ' ' HB2' ' L' ' 16' ' ' TYR . 12.2 m -68.29 -46.16 81.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-N 114.543 -1.208 . . . . 0.0 111.521 179.43 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' L' L ' 13' ' ' GLU . . . . . 0.701 ' HG2' ' HB3' ' J' ' 9' ' ' SER . 19.0 mt-10 -63.18 -29.56 70.88 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 178.714 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' L' L ' 14' ' ' ALA . . . . . 0.466 ' CB ' ' H3 ' ' K' ' 22' ' ' IPH . . . -69.23 -52.95 22.68 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.424 177.442 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' L' L ' 15' ' ' LEU . . . . . 0.703 HD23 ' HB3' ' K' ' 16' ' ' LEU . 91.3 mt -57.82 -39.22 77.11 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.915 178.621 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' L' L ' 16' ' ' TYR . . . . . 0.486 ' CD2' ' HE2' ' L' ' 24' ' ' PHE . 0.4 OUTLIER -54.85 -37.78 66.63 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.843 179.933 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' L' L ' 17' ' ' LEU . . . . . 0.422 ' HG ' ' HB1' ' F' ' 14' ' ' ALA . 4.0 mm? -81.22 -43.62 18.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.469 179.18 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' L' L ' 18' ' ' VAL . . . . . 0.412 HG23 ' O ' ' L' ' 14' ' ' ALA . 85.9 t -59.15 -47.39 90.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.485 179.629 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' L' L ' 19' ' ' CYS . . . . . 0.631 ' HB3' ' HB2' ' L' ' 22' ' ' ARG . 70.9 m -73.15 -28.9 62.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.147 -0.478 . . . . 0.0 109.804 179.142 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' L' L ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.01 -98.56 0.37 Allowed Glycine 0 N--CA 1.452 -0.239 0 CA-C-N 115.511 -0.768 . . . . 0.0 113.964 178.325 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' L' L ' 21' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -93.66 6.92 46.7 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.408 0.623 . . . . 0.0 110.697 -178.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' L' L ' 22' ' ' ARG . . . . . 0.631 ' HB2' ' HB3' ' L' ' 19' ' ' CYS . 49.0 mtt85 -104.76 173.94 6.09 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.939 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' L' L ' 23' ' ' GLY . . . . . 0.719 ' HA2' ' HD2' ' J' ' 28' ' ' PRO . . . -99.57 -172.11 30.64 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.42 -0.895 . . . . 0.0 111.078 178.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' L' L ' 24' ' ' PHE . . . . . 0.486 ' HE2' ' CD2' ' L' ' 16' ' ' TYR . 4.9 p90 -156.33 149.66 24.46 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.154 0.502 . . . . 0.0 110.251 178.805 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' L' L ' 25' ' ' PHE . . . . . . . . . . . . . 8.0 p90 -114.91 118.35 33.24 Favored 'General case' 0 C--N 1.317 -0.848 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 179.098 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' L' L ' 26' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -106.82 119.89 40.54 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-O 120.97 0.414 . . . . 0.0 110.154 -179.145 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' L' L ' 27' ' ' THR . . . . . . . . . . . . . 3.1 p -122.75 88.65 50.16 Favored Pre-proline 0 C--N 1.323 -0.567 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 -178.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' L' L ' 28' ' ' PRO . . . . . 0.726 ' HD2' ' HA2' ' J' ' 23' ' ' GLY . 95.8 Cg_endo -82.44 11.11 3.3 Favored 'Trans proline' 0 N--CA 1.461 -0.424 0 C-N-CA 122.684 2.256 . . . . 0.0 109.703 177.661 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' L' L ' 29' ' ' LYS . . . . . . . . . . . . . 69.5 tttt -108.84 129.14 55.4 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 113.916 -1.493 . . . . 0.0 109.377 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' L' L ' 30' ' ' THR . . . . . . . . . . . . . 13.1 t . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.57 -0.728 . . . . 0.0 110.128 -179.775 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 22' ' ' IPH . . . . . 0.653 ' H6 ' HG13 ' A' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 22' ' ' IPH . . . . . 0.662 ' H6 ' HG13 ' C' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 22' ' ' IPH . . . . . 0.665 ' H6 ' HG13 ' E' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 22' ' ' IPH . . . . . 0.652 ' H6 ' HG13 ' G' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 22' ' ' IPH . . . . . 0.655 ' H6 ' HG13 ' I' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' K' K ' 22' ' ' IPH . . . . . 0.661 ' H6 ' HG13 ' K' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.35 0 N-CA-C 111.838 -0.505 . . . . 0.0 111.838 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.6 tt -163.63 -43.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-O 120.641 0.258 . . . . 0.0 110.581 179.503 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.555 HG11 ' CD ' ' B' ' 4' ' ' GLN . 46.3 t -71.69 -75.57 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 C-N-CA 120.914 -0.314 . . . . 0.0 111.651 -179.194 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 79.0 tt0 -57.13 -33.64 67.58 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.893 0.378 . . . . 0.0 110.402 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -55.86 -40.02 72.32 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.543 179.291 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 70.9 m -101.84 -27.58 12.92 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -179.114 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.685 ' HB2' HD11 ' B' ' 11' ' ' LEU . 42.4 t -84.85 41.62 0.87 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.457 0.646 . . . . 0.0 111.015 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.9 t -127.79 -44.01 1.51 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 178.123 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.445 ' O ' ' HB ' ' A' ' 10' ' ' ILE . 52.7 m -158.06 19.57 0.25 Allowed 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 120.486 0.184 . . . . 0.0 110.691 179.197 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.581 ' CD1' ' H ' ' F' ' 3' ' ' ASN . 1.9 mp 73.16 136.54 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.499 0 C-N-CA 123.133 0.573 . . . . 0.0 111.202 -179.504 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 97.9 m -91.57 175.24 6.98 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.114 0.483 . . . . 0.0 111.042 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.0 m -79.68 161.96 25.51 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.162 178.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.91 -56.44 21.06 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.168 -178.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -66.64 -17.99 65.13 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.876 0.369 . . . . 0.0 111.417 -179.536 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -71.26 -31.59 67.7 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.018 179.443 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.0 mt -74.94 -30.32 61.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.456 178.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -63.44 -16.78 61.58 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.168 -179.646 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -71.25 -12.83 61.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.893 0.378 . . . . 0.0 110.858 179.559 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -106.1 15.95 25.66 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.201 0.524 . . . . 0.0 110.807 -178.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 11.8 m -92.32 155.3 18.02 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.117 179.532 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 59.8 m-80 . . . . . 0 C--O 1.249 1.036 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.563 178.932 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 66.4 t80 . . . . . 0 N--CA 1.479 0.996 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.504 ' HB ' HD11 ' I' ' 10' ' ' ILE . 10.3 m -116.31 169.93 6.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.837 179.741 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 3' ' ' ASN . . . . . 0.565 ' H ' ' CD1' ' I' ' 10' ' ' ILE . 3.1 t-20 -105.1 -170.28 1.73 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.646 -178.815 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 4' ' ' GLN . . . . . 0.56 ' OE1' ' HA ' ' B' ' 28' ' ' PRO . 5.3 tt0 -53.1 -34.8 58.25 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.067 179.39 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 5' ' ' HIS . . . . . 0.567 ' HB3' HG12 ' I' ' 10' ' ' ILE . 23.6 t60 -54.49 -18.56 4.43 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.604 -0.726 . . . . 0.0 112.626 -178.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.616 HD21 ' C4 ' ' I' ' 22' ' ' IPH . 36.4 mt -124.81 -14.17 6.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.923 0.392 . . . . 0.0 110.983 178.547 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 7' ' ' CYS . . . . . 0.432 ' HB3' ' HA ' ' B' ' 4' ' ' GLN . 19.6 t -86.7 -40.27 15.23 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.928 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 8' ' ' GLY . . . . . 0.49 ' O ' HG22 ' B' ' 12' ' ' VAL . . . -60.74 -30.09 71.72 Favored Glycine 0 N--CA 1.451 -0.315 0 CA-C-N 116.075 -0.511 . . . . 0.0 113.869 -179.151 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 9' ' ' SER . . . . . 0.975 ' HB2' ' HG2' ' D' ' 13' ' ' GLU . 27.2 p -61.63 -24.16 66.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.955 0.407 . . . . 0.0 111.397 -179.083 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -99.04 -17.13 18.42 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.899 0.381 . . . . 0.0 111.004 -179.109 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.685 HD11 ' HB2' ' A' ' 7' ' ' CYS . 71.9 mt -73.88 -38.8 64.3 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 177.636 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.49 HG22 ' O ' ' B' ' 8' ' ' GLY . 2.8 m -69.54 -28.93 39.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.145 179.18 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.995 ' HG2' ' HB2' ' D' ' 9' ' ' SER . 40.1 mt-10 -57.48 -46.7 83.4 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 121.18 0.514 . . . . 0.0 109.897 179.548 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.0 -29.94 58.35 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.877 179.402 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.486 HD12 ' HA ' ' B' ' 12' ' ' VAL . 14.2 mt -55.49 -58.85 6.07 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.77 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 16' ' ' TYR . . . . . 0.954 ' HB3' ' HE2' ' B' ' 24' ' ' PHE . 8.1 p90 -77.13 -16.79 59.02 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.027 -0.669 . . . . 0.0 111.077 -179.164 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.545 HD11 ' H5 ' ' G' ' 22' ' ' IPH . 9.4 tp -67.06 -42.99 83.8 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 178.495 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 78.7 t -79.21 -42.71 23.74 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 CA-C-N 114.819 -1.082 . . . . 0.0 109.385 178.361 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -86.99 51.53 2.27 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.724 179.584 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.9 127.54 38.82 Favored Glycine 0 N--CA 1.449 -0.493 0 CA-C-N 115.538 -0.756 . . . . 0.0 113.368 -178.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.511 ' HA ' ' O ' ' D' ' 28' ' ' PRO . 50.5 mt-10 62.22 30.57 17.65 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 123.402 0.681 . . . . 0.0 112.71 179.105 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 16.9 mtt180 -118.91 -103.23 0.41 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 177.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' GLY . . . . . 0.501 ' HA2' ' HD3' ' D' ' 28' ' ' PRO . . . 156.48 147.47 4.77 Favored Glycine 0 N--CA 1.445 -0.707 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.585 179.657 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 24' ' ' PHE . . . . . 0.954 ' HE2' ' HB3' ' B' ' 16' ' ' TYR . 32.3 p90 -146.61 178.87 7.96 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.727 0.299 . . . . 0.0 110.304 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -128.46 151.21 49.66 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 178.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 25.6 t80 -140.79 124.56 17.08 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.038 0.447 . . . . 0.0 110.782 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 8.1 p -119.92 111.87 35.43 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.841 179.405 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' PRO . . . . . 0.56 ' HA ' ' OE1' ' B' ' 4' ' ' GLN . 8.9 Cg_exo -71.98 70.64 2.91 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 123.239 2.626 . . . . 0.0 111.677 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -120.46 175.79 5.81 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.078 -179.421 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 12.8 t . . . . . 0 C--O 1.251 1.137 0 CA-C-O 118.903 -0.57 . . . . 0.0 109.483 179.587 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.361 0 N-CA-C 111.607 -0.597 . . . . 0.0 111.607 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 7.3 tt -165.93 -44.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-O 120.965 0.412 . . . . 0.0 110.814 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 3' ' ' VAL . . . . . 0.567 HG11 ' CD ' ' D' ' 4' ' ' GLN . 45.4 t -71.63 -75.34 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.424 -179.483 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 73.6 tt0 -57.21 -32.82 66.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.074 0.464 . . . . 0.0 110.679 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -57.35 -38.94 74.94 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.569 179.484 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 71.3 m -102.57 -27.37 12.79 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -179.049 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 7' ' ' CYS . . . . . 0.672 ' HB2' HD11 ' D' ' 11' ' ' LEU . 42.0 t -85.02 40.68 0.83 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.321 0.581 . . . . 0.0 110.977 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 8.4 t -126.75 -42.87 1.74 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 178.31 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 9' ' ' SER . . . . . 0.442 ' O ' ' HB ' ' C' ' 10' ' ' ILE . 59.2 m -159.23 19.89 0.19 Allowed 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.592 179.171 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 10' ' ' ILE . . . . . 0.576 HG12 ' HB3' ' L' ' 5' ' ' HIS . 1.9 mp 72.75 137.14 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 CA-C-O 121.277 0.56 . . . . 0.0 111.327 -179.386 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 99.6 m -92.41 174.95 7.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.972 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 7.0 m -79.46 160.96 26.38 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.135 179.015 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.09 -55.86 28.72 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.354 -179.298 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -67.1 -18.27 65.25 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.921 0.391 . . . . 0.0 111.415 -179.535 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -70.45 -32.36 69.9 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.93 179.185 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 96.2 mt -74.32 -30.44 62.06 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.699 179.026 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -63.62 -15.66 58.8 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.999 -179.701 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -72.12 -14.35 61.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.095 0.474 . . . . 0.0 110.795 179.617 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -104.78 15.96 26.89 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.219 0.533 . . . . 0.0 111.038 -178.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 11.7 m -91.78 156.94 17.18 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.287 179.55 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 18.3 m120 . . . . . 0 C--O 1.244 0.779 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.558 179.024 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 66.1 t80 . . . . . 0 N--CA 1.481 1.116 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 2' ' ' VAL . . . . . 0.481 ' HB ' HD11 ' G' ' 10' ' ' ILE . 11.1 m -116.17 170.69 5.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 C-N-CA 120.316 -0.554 . . . . 0.0 110.959 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 3' ' ' ASN . . . . . 0.558 ' H ' ' CD1' ' G' ' 10' ' ' ILE . 2.9 t-20 -106.3 -171.48 1.9 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.666 -178.846 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 4' ' ' GLN . . . . . 0.569 ' OE1' ' HA ' ' D' ' 28' ' ' PRO . 5.2 tt0 -51.93 -34.37 41.52 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.279 179.401 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 5' ' ' HIS . . . . . 0.558 ' HB3' HG12 ' G' ' 10' ' ' ILE . 25.0 t60 -55.07 -18.62 5.63 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.799 -178.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 6' ' ' LEU . . . . . 0.602 HD21 ' C4 ' ' G' ' 22' ' ' IPH . 36.3 mt -124.28 -14.61 6.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.021 0.438 . . . . 0.0 111.081 178.596 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 7' ' ' CYS . . . . . 0.415 ' HB3' ' HA ' ' D' ' 4' ' ' GLN . 22.6 t -86.33 -40.33 15.57 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.256 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 8' ' ' GLY . . . . . 0.499 ' O ' HG22 ' D' ' 12' ' ' VAL . . . -60.66 -30.47 72.39 Favored Glycine 0 N--CA 1.451 -0.318 0 CA-C-N 116.014 -0.539 . . . . 0.0 113.728 -179.183 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 9' ' ' SER . . . . . 0.995 ' HB2' ' HG2' ' B' ' 13' ' ' GLU . 28.7 p -61.12 -24.38 66.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.91 0.386 . . . . 0.0 111.553 -179.155 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 10' ' ' HIS . . . . . 0.401 ' HA ' ' HG3' ' D' ' 13' ' ' GLU . 97.3 m-70 -98.94 -16.82 18.63 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.0 -179.238 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 11' ' ' LEU . . . . . 0.672 HD11 ' HB2' ' C' ' 7' ' ' CYS . 71.5 mt -74.23 -39.08 63.32 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.715 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 12' ' ' VAL . . . . . 0.499 HG22 ' O ' ' D' ' 8' ' ' GLY . 3.0 m -69.3 -28.68 39.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.443 179.116 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 13' ' ' GLU . . . . . 0.975 ' HG2' ' HB2' ' B' ' 9' ' ' SER . 40.8 mt-10 -57.78 -46.98 83.83 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-O 121.186 0.517 . . . . 0.0 109.85 179.444 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.35 -30.22 60.17 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.778 179.176 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 15' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' D' ' 12' ' ' VAL . 13.6 mt -55.5 -59.13 5.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.753 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 16' ' ' TYR . . . . . 0.963 ' HB3' ' HE2' ' D' ' 24' ' ' PHE . 8.4 p90 -76.75 -17.13 59.25 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.033 -0.667 . . . . 0.0 110.999 -179.253 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 17' ' ' LEU . . . . . 0.549 HD11 ' H5 ' ' I' ' 22' ' ' IPH . 8.8 tp -66.76 -42.7 85.74 Favored 'General case' 0 C--O 1.232 0.181 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 178.569 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 77.6 t -79.7 -43.06 23.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 114.901 -1.045 . . . . 0.0 109.281 178.163 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -86.14 50.76 2.05 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.165 179.623 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.82 127.89 41.86 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 115.499 -0.773 . . . . 0.0 113.347 -178.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 21' ' ' GLU . . . . . 0.523 ' HA ' ' O ' ' B' ' 28' ' ' PRO . 49.7 mt-10 61.91 29.69 17.9 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 179.142 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 22' ' ' ARG . . . . . . . . . . . . . 17.3 mtt180 -118.03 -102.54 0.42 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.093 0.473 . . . . 0.0 110.079 177.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 23' ' ' GLY . . . . . 0.498 ' HA2' ' HD3' ' B' ' 28' ' ' PRO . . . 156.09 146.98 4.6 Favored Glycine 0 N--CA 1.444 -0.79 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.508 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 24' ' ' PHE . . . . . 0.963 ' HE2' ' HB3' ' D' ' 16' ' ' TYR . 30.1 p90 -146.68 178.56 8.21 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.858 0.361 . . . . 0.0 110.149 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 25' ' ' PHE . . . . . . . . . . . . . 5.9 p90 -128.46 151.49 49.34 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.529 178.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 26' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -140.98 124.51 16.77 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.049 0.452 . . . . 0.0 110.952 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 27' ' ' THR . . . . . . . . . . . . . 15.0 p -120.03 112.3 34.95 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.718 179.143 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 28' ' ' PRO . . . . . 0.569 ' HA ' ' OE1' ' D' ' 4' ' ' GLN . 8.1 Cg_exo -71.83 69.9 2.89 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 123.384 2.722 . . . . 0.0 111.597 -179.716 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -120.91 173.71 7.07 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.048 -179.368 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 13.5 t . . . . . 0 C--O 1.248 1.01 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 179.586 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.605 0 N-CA-C 111.692 -0.563 . . . . 0.0 111.692 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' E' E ' 2' ' ' ILE . . . . . . . . . . . . . 7.0 tt -162.29 -43.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 120.787 0.327 . . . . 0.0 110.878 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 3' ' ' VAL . . . . . 0.578 HG11 ' CD ' ' F' ' 4' ' ' GLN . 43.4 t -71.52 -75.65 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.461 -179.168 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 4' ' ' GLU . . . . . . . . . . . . . 73.4 tt0 -57.3 -31.31 65.51 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 121.119 0.485 . . . . 0.0 110.655 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -58.71 -39.88 82.08 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.086 179.525 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 6' ' ' CYS . . . . . . . . . . . . . 71.2 m -101.51 -26.71 13.46 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -178.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 7' ' ' CYS . . . . . 0.657 ' HB2' HD11 ' F' ' 11' ' ' LEU . 42.2 t -85.51 40.14 0.82 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.238 0.542 . . . . 0.0 111.041 -179.575 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 9.7 t -126.52 -43.02 1.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 178.144 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 9' ' ' SER . . . . . 0.427 ' O ' ' HB ' ' E' ' 10' ' ' ILE . 73.3 m -158.93 20.45 0.2 Allowed 'General case' 0 CA--C 1.531 0.233 0 CA-C-O 120.578 0.227 . . . . 0.0 110.704 179.183 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 10' ' ' ILE . . . . . 0.557 ' CD1' ' H ' ' J' ' 3' ' ' ASN . 1.9 mp 72.03 136.36 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 C-N-CA 123.14 0.576 . . . . 0.0 111.408 -179.481 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 11' ' ' CYS . . . . . . . . . . . . . 98.4 m -90.88 176.71 6.52 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.116 0.484 . . . . 0.0 111.147 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 12' ' ' SER . . . . . . . . . . . . . 5.7 m -80.96 161.69 24.2 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.91 178.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.14 -56.02 25.59 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.28 -179.191 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -67.03 -17.64 65.0 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.986 0.422 . . . . 0.0 111.228 -179.537 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -71.43 -31.47 67.25 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.965 179.109 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 16' ' ' LEU . . . . . . . . . . . . . 96.0 mt -75.12 -30.32 60.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.477 178.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 17' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -63.69 -16.01 59.92 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.923 -0.58 . . . . 0.0 112.066 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 18' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -72.14 -14.03 61.72 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.973 0.416 . . . . 0.0 110.71 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 19' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -104.91 16.14 26.49 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.217 0.532 . . . . 0.0 110.903 -178.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 20' ' ' CYS . . . . . . . . . . . . . 11.0 m -91.97 155.94 17.79 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.494 -0.775 . . . . 0.0 111.033 179.476 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 21' ' ' ASN . . . . . . . . . . . . . 56.6 m-80 . . . . . 0 C--O 1.247 0.959 0 CA-C-N 115.723 -0.672 . . . . 0.0 109.39 178.667 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' F' F ' 1' ' ' PHE . . . . . . . . . . . . . 66.6 t80 . . . . . 0 N--CA 1.482 1.175 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' F' F ' 2' ' ' VAL . . . . . 0.49 ' HB ' HD11 ' A' ' 10' ' ' ILE . 11.3 m -115.19 171.62 4.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 C-N-CA 120.462 -0.495 . . . . 0.0 111.053 179.646 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' F' F ' 3' ' ' ASN . . . . . 0.581 ' H ' ' CD1' ' A' ' 10' ' ' ILE . 3.5 t-20 -107.1 -171.5 1.9 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.552 -178.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' F' F ' 4' ' ' GLN . . . . . 0.578 ' CD ' HG11 ' E' ' 3' ' ' VAL . 5.3 tt0 -52.06 -34.14 42.25 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 123.032 0.533 . . . . 0.0 111.153 179.28 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' F' F ' 5' ' ' HIS . . . . . 0.559 ' HB3' HG12 ' A' ' 10' ' ' ILE . 22.9 t60 -55.25 -18.34 5.99 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.747 -0.661 . . . . 0.0 112.646 -178.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' F' F ' 6' ' ' LEU . . . . . 0.609 HD21 ' C4 ' ' A' ' 22' ' ' IPH . 37.7 mt -124.98 -13.88 6.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.938 0.399 . . . . 0.0 111.037 178.568 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' F' F ' 7' ' ' CYS . . . . . 0.432 ' HB3' ' HA ' ' F' ' 4' ' ' GLN . 17.3 t -87.06 -40.06 15.03 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.003 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' F' F ' 8' ' ' GLY . . . . . 0.504 ' O ' HG22 ' F' ' 12' ' ' VAL . . . -60.71 -30.34 72.26 Favored Glycine 0 C--N 1.331 0.254 0 CA-C-N 115.937 -0.574 . . . . 0.0 113.762 -179.136 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' F' F ' 9' ' ' SER . . . . . 0.978 ' HB2' ' HG2' ' H' ' 13' ' ' GLU . 25.9 p -61.45 -24.18 66.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.952 0.406 . . . . 0.0 111.427 -178.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' F' F ' 10' ' ' HIS . . . . . 0.41 ' HA ' ' HG3' ' F' ' 13' ' ' GLU . 96.5 m-70 -99.07 -17.18 18.37 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.009 -179.09 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' F' F ' 11' ' ' LEU . . . . . 0.657 HD11 ' HB2' ' E' ' 7' ' ' CYS . 70.5 mt -73.68 -39.25 64.53 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 177.547 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' F' F ' 12' ' ' VAL . . . . . 0.504 HG22 ' O ' ' F' ' 8' ' ' GLY . 2.9 m -69.1 -28.89 40.95 Favored 'Isoleucine or valine' 0 C--O 1.232 0.137 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.302 179.236 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' F' F ' 13' ' ' GLU . . . . . 0.977 ' HG2' ' HB2' ' H' ' 9' ' ' SER . 40.5 mt-10 -57.61 -47.23 82.77 Favored 'General case' 0 CA--C 1.521 -0.151 0 CA-C-O 121.187 0.517 . . . . 0.0 109.883 179.375 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' F' F ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.13 -29.98 60.69 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.882 179.406 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 15' ' ' LEU . . . . . 0.484 HD12 ' HA ' ' F' ' 12' ' ' VAL . 13.7 mt -55.74 -59.17 5.24 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.867 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' F' F ' 16' ' ' TYR . . . . . 0.946 ' HB3' ' HE2' ' F' ' 24' ' ' PHE . 8.4 p90 -76.72 -17.03 59.33 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 119.91 -0.716 . . . . 0.0 111.02 -179.4 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' F' F ' 17' ' ' LEU . . . . . 0.551 HD11 ' H5 ' ' K' ' 22' ' ' IPH . 9.1 tp -66.96 -42.36 85.3 Favored 'General case' 0 C--O 1.23 0.062 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 178.722 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 79.8 t -79.83 -42.68 22.53 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 CA-C-N 114.925 -1.034 . . . . 0.0 109.346 178.304 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -87.13 51.87 2.36 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.977 179.689 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' F' F ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.89 129.77 41.78 Favored Glycine 0 N--CA 1.446 -0.666 0 CA-C-N 115.4 -0.818 . . . . 0.0 113.443 -178.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 21' ' ' GLU . . . . . 0.507 ' HA ' ' O ' ' H' ' 28' ' ' PRO . 52.8 mt-10 60.67 29.48 19.04 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 179.238 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' F' F ' 22' ' ' ARG . . . . . . . . . . . . . 18.5 mtt180 -118.38 -104.09 0.41 Allowed 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 178.012 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 23' ' ' GLY . . . . . 0.509 ' HA2' ' HD3' ' H' ' 28' ' ' PRO . . . 157.48 147.86 4.93 Favored Glycine 0 N--CA 1.446 -0.664 0 N-CA-C 111.558 -0.617 . . . . 0.0 111.558 179.695 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' F' F ' 24' ' ' PHE . . . . . 0.946 ' HE2' ' HB3' ' F' ' 16' ' ' TYR . 29.8 p90 -147.32 178.41 8.43 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.771 0.32 . . . . 0.0 110.199 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' F' F ' 25' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -128.05 152.01 48.47 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 178.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 26' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -141.49 125.01 16.69 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.976 0.417 . . . . 0.0 110.673 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 27' ' ' THR . . . . . 0.434 ' HA ' ' HD3' ' F' ' 28' ' ' PRO . 10.3 p -120.34 111.36 35.14 Favored Pre-proline 0 C--N 1.318 -0.761 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.908 179.373 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' F' F ' 28' ' ' PRO . . . . . 0.553 ' HA ' ' OE1' ' F' ' 4' ' ' GLN . 9.0 Cg_exo -71.45 70.23 2.58 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 123.346 2.697 . . . . 0.0 111.64 -179.753 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' F' F ' 29' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -121.7 171.99 8.46 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.246 -179.433 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 30' ' ' THR . . . . . . . . . . . . . 13.2 t . . . . . 0 C--O 1.245 0.861 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 179.413 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' G' G ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.754 0 N-CA-C 111.654 -0.578 . . . . 0.0 111.654 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' G' G ' 2' ' ' ILE . . . . . . . . . . . . . 7.0 tt -164.79 -43.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.011 0.434 . . . . 0.0 111.035 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 3' ' ' VAL . . . . . 0.572 HG11 ' CD ' ' H' ' 4' ' ' GLN . 45.1 t -72.08 -73.67 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 122.225 -0.297 . . . . 0.0 111.612 -179.495 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' G' G ' 4' ' ' GLU . . . . . . . . . . . . . 75.9 tt0 -59.34 -31.7 69.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.083 0.468 . . . . 0.0 110.413 -179.633 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 5' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -57.97 -39.28 77.78 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.235 179.519 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 6' ' ' CYS . . . . . . . . . . . . . 71.1 m -102.43 -26.23 13.34 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -178.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 7' ' ' CYS . . . . . 0.68 ' HB2' HD11 ' H' ' 11' ' ' LEU . 41.9 t -86.07 40.85 0.89 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.249 0.547 . . . . 0.0 110.846 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' G' G ' 8' ' ' THR . . . . . . . . . . . . . 8.4 t -126.84 -43.57 1.69 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 178.168 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 9' ' ' SER . . . . . 0.436 ' O ' ' HB ' ' G' ' 10' ' ' ILE . 69.6 m -158.56 19.96 0.22 Allowed 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.707 -0.224 . . . . 0.0 110.699 179.19 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' G' G ' 10' ' ' ILE . . . . . 0.558 ' CD1' ' H ' ' D' ' 3' ' ' ASN . 1.9 mp 72.92 137.09 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 C-N-CA 123.181 0.593 . . . . 0.0 111.251 -179.407 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' G' G ' 11' ' ' CYS . . . . . . . . . . . . . 97.8 m -91.83 175.92 6.71 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.064 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 12' ' ' SER . . . . . . . . . . . . . 6.2 m -80.47 161.87 24.66 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.937 178.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 13' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.22 -56.03 25.36 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.798 0.332 . . . . 0.0 111.244 -178.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -67.13 -16.79 64.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.851 0.358 . . . . 0.0 111.259 -179.482 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -72.02 -32.42 67.14 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.8 179.27 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 16' ' ' LEU . . . . . . . . . . . . . 96.0 mt -74.26 -30.91 62.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.61 178.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 17' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -62.73 -17.47 60.86 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.965 -179.638 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 18' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -70.55 -13.88 62.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.858 179.665 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 19' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -105.35 15.58 27.04 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.21 0.528 . . . . 0.0 110.832 -178.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 20' ' ' CYS . . . . . . . . . . . . . 12.8 m -91.37 155.1 18.73 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.179 179.391 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 21' ' ' ASN . . . . . . . . . . . . . 22.2 m120 . . . . . 0 C--O 1.249 1.063 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.907 179.187 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' H' H ' 1' ' ' PHE . . . . . . . . . . . . . 67.6 t80 . . . . . 0 N--CA 1.482 1.157 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' H' H ' 2' ' ' VAL . . . . . 0.47 ' HB ' HD11 ' K' ' 10' ' ' ILE . 10.1 m -116.44 170.42 6.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.957 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' H' H ' 3' ' ' ASN . . . . . 0.555 ' H ' ' CD1' ' K' ' 10' ' ' ILE . 3.1 t-20 -105.73 -169.78 1.64 Allowed 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.896 -178.805 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' H' H ' 4' ' ' GLN . . . . . 0.572 ' CD ' HG11 ' G' ' 3' ' ' VAL . 5.3 tt0 -53.54 -34.77 59.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.072 179.395 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' H' H ' 5' ' ' HIS . . . . . 0.563 ' HB3' HG12 ' K' ' 10' ' ' ILE . 23.7 t60 -54.33 -18.66 4.28 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.681 -0.69 . . . . 0.0 112.783 -179.083 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' H' H ' 6' ' ' LEU . . . . . 0.624 HD21 ' C4 ' ' K' ' 22' ' ' IPH . 35.8 mt -124.67 -14.36 6.8 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.986 0.422 . . . . 0.0 110.941 178.795 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' H' H ' 7' ' ' CYS . . . . . 0.413 ' HB3' ' HA ' ' H' ' 4' ' ' GLN . 18.5 t -86.76 -40.29 15.15 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.146 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' H' H ' 8' ' ' GLY . . . . . 0.482 ' O ' HG22 ' H' ' 12' ' ' VAL . . . -60.65 -30.36 72.09 Favored Glycine 0 C--N 1.33 0.249 0 CA-C-N 116.061 -0.518 . . . . 0.0 113.764 -179.068 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' H' H ' 9' ' ' SER . . . . . 0.977 ' HB2' ' HG2' ' F' ' 13' ' ' GLU . 32.5 p -61.23 -24.47 66.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.021 0.438 . . . . 0.0 111.697 -179.091 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' H' H ' 10' ' ' HIS . . . . . 0.421 ' HA ' ' HG3' ' H' ' 13' ' ' GLU . 97.2 m-70 -98.79 -17.04 18.68 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.934 -179.248 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' H' H ' 11' ' ' LEU . . . . . 0.68 HD11 ' HB2' ' G' ' 7' ' ' CYS . 71.5 mt -73.67 -39.64 64.29 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 177.607 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' H' H ' 12' ' ' VAL . . . . . 0.482 HG22 ' O ' ' H' ' 8' ' ' GLY . 3.0 m -68.96 -28.57 40.07 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.305 179.255 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' H' H ' 13' ' ' GLU . . . . . 0.978 ' HG2' ' HB2' ' F' ' 9' ' ' SER . 39.1 mt-10 -57.73 -47.47 82.33 Favored 'General case' 0 CA--C 1.522 -0.118 0 CA-C-O 121.181 0.515 . . . . 0.0 109.743 179.527 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' H' H ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.13 -29.87 60.65 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.944 179.339 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' H' H ' 15' ' ' LEU . . . . . 0.48 HD12 ' HA ' ' H' ' 12' ' ' VAL . 13.6 mt -55.74 -59.01 5.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.8 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' H' H ' 16' ' ' TYR . . . . . 0.946 ' HB3' ' HE2' ' H' ' 24' ' ' PHE . 8.6 p90 -76.68 -17.57 59.05 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 119.832 -0.747 . . . . 0.0 110.95 -179.263 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' H' H ' 17' ' ' LEU . . . . . 0.548 HD11 ' H5 ' ' A' ' 22' ' ' IPH . 8.9 tp -66.14 -43.12 87.98 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 178.807 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 74.8 t -78.73 -45.0 25.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 114.876 -1.056 . . . . 0.0 109.097 178.115 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' H' H ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -84.76 51.47 2.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.068 -0.969 . . . . 0.0 110.31 179.589 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' H' H ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.1 127.98 38.98 Favored Glycine 0 N--CA 1.448 -0.515 0 CA-C-N 115.443 -0.799 . . . . 0.0 113.477 -178.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' H' H ' 21' ' ' GLU . . . . . 0.533 ' HA ' ' O ' ' F' ' 28' ' ' PRO . 53.1 mt-10 62.06 30.49 17.89 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 179.254 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' H' H ' 22' ' ' ARG . . . . . . . . . . . . . 17.6 mtt180 -119.15 -103.85 0.41 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 177.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' H' H ' 23' ' ' GLY . . . . . 0.48 ' HA2' ' HD3' ' F' ' 28' ' ' PRO . . . 156.94 147.36 4.75 Favored Glycine 0 N--CA 1.442 -0.917 0 N-CA-C 111.523 -0.631 . . . . 0.0 111.523 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' H' H ' 24' ' ' PHE . . . . . 0.946 ' HE2' ' HB3' ' H' ' 16' ' ' TYR . 30.5 p90 -146.67 179.38 7.6 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.791 0.329 . . . . 0.0 110.177 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' H' H ' 25' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -129.21 151.5 49.81 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.532 178.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' H' H ' 26' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -141.12 124.32 16.47 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.055 0.455 . . . . 0.0 110.989 -179.653 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' H' H ' 27' ' ' THR . . . . . . . . . . . . . 10.8 p -119.38 111.91 36.21 Favored Pre-proline 0 C--N 1.319 -0.731 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.806 179.437 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' H' H ' 28' ' ' PRO . . . . . 0.544 ' HA ' ' OE1' ' H' ' 4' ' ' GLN . 9.9 Cg_exo -71.87 70.65 2.83 Favored 'Trans proline' 0 N--CA 1.464 -0.248 0 C-N-CA 123.151 2.567 . . . . 0.0 111.341 -179.756 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' H' H ' 29' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -121.75 172.4 8.17 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.231 -179.27 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' H' H ' 30' ' ' THR . . . . . . . . . . . . . 14.7 t . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.787 -0.625 . . . . 0.0 109.549 179.882 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' I' I ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.008 0 N-CA-C 112.326 -0.31 . . . . 0.0 112.326 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' I' I ' 2' ' ' ILE . . . . . . . . . . . . . 7.0 tt -163.28 -43.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.36 0.124 . . . . 0.0 110.913 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 3' ' ' VAL . . . . . 0.579 HG11 ' CD ' ' J' ' 4' ' ' GLN . 44.8 t -70.81 -75.66 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.642 0.258 . . . . 0.0 111.442 -179.298 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' I' I ' 4' ' ' GLU . . . . . . . . . . . . . 74.4 tt0 -56.85 -34.43 67.78 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.941 0.4 . . . . 0.0 110.485 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 5' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -55.87 -38.99 70.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.439 179.402 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 6' ' ' CYS . . . . . . . . . . . . . 71.6 m -102.33 -27.89 12.57 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -179.083 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 7' ' ' CYS . . . . . 0.686 ' HB2' HD11 ' J' ' 11' ' ' LEU . 42.3 t -84.69 41.06 0.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.489 0.661 . . . . 0.0 110.925 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' I' I ' 8' ' ' THR . . . . . . . . . . . . . 7.7 t -127.18 -42.5 1.7 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 178.015 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 9' ' ' SER . . . . . 0.441 ' O ' ' HB ' ' I' ' 10' ' ' ILE . 72.5 m -160.01 20.47 0.16 Allowed 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 120.618 0.247 . . . . 0.0 110.566 179.111 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' I' I ' 10' ' ' ILE . . . . . 0.567 HG12 ' HB3' ' B' ' 5' ' ' HIS . 1.9 mp 72.44 138.37 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 C-N-CA 123.335 0.654 . . . . 0.0 111.471 -179.593 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' I' I ' 11' ' ' CYS . . . . . . . . . . . . . 99.1 m -93.18 175.53 6.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.992 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 12' ' ' SER . . . . . . . . . . . . . 10.4 m -79.48 162.05 25.68 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.908 179.013 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 13' ' ' LEU . . . . . 0.44 HD22 ' HA ' ' I' ' 13' ' ' LEU . 1.0 OUTLIER -61.22 -56.47 20.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.136 -179.344 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -66.52 -17.24 64.7 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.846 0.355 . . . . 0.0 111.411 -179.659 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -71.95 -31.86 66.73 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.765 -0.458 . . . . 0.0 109.765 179.33 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 16' ' ' LEU . . . . . . . . . . . . . 96.0 mt -74.81 -30.56 61.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.602 178.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 17' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -63.61 -15.23 57.62 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.881 -0.6 . . . . 0.0 112.058 -179.679 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 18' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -72.78 -14.19 61.48 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.956 0.407 . . . . 0.0 110.685 179.662 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 19' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -104.76 16.28 26.3 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.356 0.598 . . . . 0.0 110.799 -178.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 20' ' ' CYS . . . . . . . . . . . . . 11.3 m -92.07 155.31 18.16 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.254 179.312 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 21' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 . . . . . 0 C--O 1.246 0.892 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.568 178.918 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' J' J ' 1' ' ' PHE . . . . . . . . . . . . . 66.2 t80 . . . . . 0 N--CA 1.484 1.262 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' J' J ' 2' ' ' VAL . . . . . 0.515 ' HB ' HD11 ' E' ' 10' ' ' ILE . 10.7 m -115.77 170.1 5.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 C-N-CA 120.476 -0.489 . . . . 0.0 110.998 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' J' J ' 3' ' ' ASN . . . . . 0.557 ' H ' ' CD1' ' E' ' 10' ' ' ILE . 3.1 t-20 -105.75 -171.0 1.82 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.57 -178.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' J' J ' 4' ' ' GLN . . . . . 0.579 ' CD ' HG11 ' I' ' 3' ' ' VAL . 5.2 tt0 -52.2 -34.87 47.34 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 122.952 0.501 . . . . 0.0 111.2 179.368 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' J' J ' 5' ' ' HIS . . . . . 0.549 ' HB3' HG12 ' E' ' 10' ' ' ILE . 25.3 t60 -54.65 -18.28 4.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.74 -0.664 . . . . 0.0 112.554 -178.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' J' J ' 6' ' ' LEU . . . . . 0.615 HD21 ' C4 ' ' E' ' 22' ' ' IPH . 33.7 mt -124.84 -14.52 6.68 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.964 0.411 . . . . 0.0 110.995 178.659 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' J' J ' 7' ' ' CYS . . . . . 0.414 ' HB3' ' HA ' ' J' ' 4' ' ' GLN . 23.3 t -86.5 -40.8 14.93 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.945 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' J' J ' 8' ' ' GLY . . . . . 0.502 ' O ' HG22 ' J' ' 12' ' ' VAL . . . -60.2 -30.3 70.46 Favored Glycine 0 N--CA 1.451 -0.329 0 CA-C-N 116.112 -0.495 . . . . 0.0 113.896 -179.082 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' J' J ' 9' ' ' SER . . . . . 0.981 ' HB2' ' HG2' ' L' ' 13' ' ' GLU . 25.9 p -61.59 -24.18 66.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.865 0.364 . . . . 0.0 111.499 -179.211 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' J' J ' 10' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -98.91 -17.08 18.55 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.055 0.455 . . . . 0.0 111.008 -179.277 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' J' J ' 11' ' ' LEU . . . . . 0.686 HD11 ' HB2' ' I' ' 7' ' ' CYS . 73.5 mt -73.87 -39.11 64.18 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.656 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' J' J ' 12' ' ' VAL . . . . . 0.502 HG22 ' O ' ' J' ' 8' ' ' GLY . 3.0 m -69.43 -28.41 38.07 Favored 'Isoleucine or valine' 0 C--O 1.232 0.158 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.386 179.15 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' J' J ' 13' ' ' GLU . . . . . 0.967 ' HG2' ' HB2' ' L' ' 9' ' ' SER . 40.8 mt-10 -57.99 -47.11 83.96 Favored 'General case' 0 CA--C 1.522 -0.134 0 CA-C-O 121.164 0.507 . . . . 0.0 109.853 179.351 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' J' J ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.4 -29.87 59.92 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.754 179.407 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' J' J ' 15' ' ' LEU . . . . . 0.468 HD12 ' HA ' ' J' ' 12' ' ' VAL . 13.7 mt -55.69 -59.14 5.27 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.76 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' J' J ' 16' ' ' TYR . . . . . 0.971 ' HB3' ' HE2' ' J' ' 24' ' ' PHE . 8.6 p90 -76.64 -17.66 59.03 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 119.932 -0.707 . . . . 0.0 110.955 -179.274 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' J' J ' 17' ' ' LEU . . . . . 0.538 HD11 ' H5 ' ' C' ' 22' ' ' IPH . 8.8 tp -66.54 -41.6 88.46 Favored 'General case' 0 C--O 1.232 0.179 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 178.743 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 82.1 t -80.75 -42.72 20.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 114.935 -1.03 . . . . 0.0 109.136 178.16 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' J' J ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -86.49 50.75 2.06 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.122 179.642 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' J' J ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.48 129.55 45.26 Favored Glycine 0 N--CA 1.448 -0.516 0 CA-C-N 115.575 -0.739 . . . . 0.0 113.259 -179.05 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' J' J ' 21' ' ' GLU . . . . . 0.522 ' HA ' ' O ' ' L' ' 28' ' ' PRO . 53.1 mt-10 59.63 30.34 19.96 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 179.29 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' J' J ' 22' ' ' ARG . . . . . . . . . . . . . 16.0 mtt180 -118.4 -104.09 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 177.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' J' J ' 23' ' ' GLY . . . . . 0.484 ' HA2' ' HD3' ' L' ' 28' ' ' PRO . . . 157.2 147.24 4.72 Favored Glycine 0 N--CA 1.444 -0.786 0 N-CA-C 111.539 -0.625 . . . . 0.0 111.539 179.561 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' J' J ' 24' ' ' PHE . . . . . 0.971 ' HE2' ' HB3' ' J' ' 16' ' ' TYR . 31.2 p90 -145.69 -179.51 6.73 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' J' J ' 25' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -130.41 150.86 51.45 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 178.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' J' J ' 26' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -140.54 125.24 18.07 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.124 0.487 . . . . 0.0 110.877 -179.669 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' J' J ' 27' ' ' THR . . . . . . . . . . . . . 12.8 p -120.45 111.86 34.63 Favored Pre-proline 0 C--N 1.32 -0.686 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.038 179.199 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' J' J ' 28' ' ' PRO . . . . . 0.574 ' HA ' ' OE1' ' J' ' 4' ' ' GLN . 8.9 Cg_exo -71.55 70.34 2.64 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 123.307 2.671 . . . . 0.0 111.438 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' J' J ' 29' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -121.54 172.92 7.73 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.039 -179.431 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' J' J ' 30' ' ' THR . . . . . . . . . . . . . 14.5 t . . . . . 0 C--O 1.25 1.128 0 CA-C-O 118.874 -0.584 . . . . 0.0 109.68 179.818 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.738 0 N-CA-C 112.184 -0.366 . . . . 0.0 112.184 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' K' K ' 2' ' ' ILE . . . . . . . . . . . . . 6.6 tt -164.2 -42.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-O 121.109 0.481 . . . . 0.0 110.968 179.52 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' K' K ' 3' ' ' VAL . . . . . 0.598 HG11 ' CD ' ' L' ' 4' ' ' GLN . 46.4 t -72.32 -73.93 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.565 -179.271 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' K' K ' 4' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -58.46 -33.81 70.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.02 0.438 . . . . 0.0 110.593 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' K' K ' 5' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -56.39 -38.45 71.49 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.533 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' K' K ' 6' ' ' CYS . . . . . . . . . . . . . 72.7 m -102.84 -27.48 12.64 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.135 0.421 . . . . 0.0 112.135 -179.096 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' K' K ' 7' ' ' CYS . . . . . 0.675 ' HB2' HD11 ' L' ' 11' ' ' LEU . 42.7 t -85.43 41.72 0.91 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.374 0.607 . . . . 0.0 110.849 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' K' K ' 8' ' ' THR . . . . . . . . . . . . . 7.8 t -127.69 -43.92 1.53 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 178.054 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' K' K ' 9' ' ' SER . . . . . 0.445 ' O ' ' HB ' ' K' ' 10' ' ' ILE . 64.5 m -158.49 20.08 0.22 Allowed 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.761 -0.2 . . . . 0.0 110.749 179.09 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' K' K ' 10' ' ' ILE . . . . . 0.563 HG12 ' HB3' ' H' ' 5' ' ' HIS . 1.9 mp 72.99 136.87 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 C-N-CA 123.287 0.635 . . . . 0.0 111.243 -179.53 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' K' K ' 11' ' ' CYS . . . . . . . . . . . . . 98.6 m -91.46 175.75 6.81 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.185 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' K' K ' 12' ' ' SER . . . . . . . . . . . . . 11.3 m -79.95 163.09 24.55 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.926 178.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' K' K ' 13' ' ' LEU . . . . . 0.44 HD22 ' HA ' ' K' ' 13' ' ' LEU . 1.0 OUTLIER -62.02 -55.78 25.69 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.719 0.295 . . . . 0.0 111.42 -179.129 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -66.9 -19.1 65.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.928 0.394 . . . . 0.0 111.073 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -69.49 -32.59 71.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.057 179.118 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' K' K ' 16' ' ' LEU . . . . . . . . . . . . . 96.1 mt -74.41 -30.68 62.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.6 178.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' K' K ' 17' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -63.09 -16.76 61.03 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.924 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' K' K ' 18' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -72.05 -11.6 60.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.831 0.348 . . . . 0.0 110.827 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' K' K ' 19' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -107.16 15.81 24.76 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.226 0.536 . . . . 0.0 110.694 -179.068 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' K' K ' 20' ' ' CYS . . . . . . . . . . . . . 11.4 m -92.28 155.34 18.02 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.459 -0.792 . . . . 0.0 111.174 179.53 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' K' K ' 21' ' ' ASN . . . . . . . . . . . . . 18.0 m120 . . . . . 0 C--O 1.248 0.979 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.914 179.191 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' L' L ' 1' ' ' PHE . . . . . . . . . . . . . 66.5 t80 . . . . . 0 N--CA 1.483 1.179 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' L' L ' 2' ' ' VAL . . . . . 0.499 ' HB ' HD11 ' C' ' 10' ' ' ILE . 10.2 m -115.08 171.56 4.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.912 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' L' L ' 3' ' ' ASN . . . . . 0.566 ' H ' ' CD1' ' C' ' 10' ' ' ILE . 3.8 t-20 -106.65 -170.16 1.67 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.433 -179.145 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' L' L ' 4' ' ' GLN . . . . . 0.598 ' CD ' HG11 ' K' ' 3' ' ' VAL . 5.5 tt0 -52.94 -34.75 56.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.169 179.307 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' L' L ' 5' ' ' HIS . . . . . 0.576 ' HB3' HG12 ' C' ' 10' ' ' ILE . 23.3 t60 -54.43 -18.87 4.67 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.54 -0.754 . . . . 0.0 112.689 -178.782 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' L' L ' 6' ' ' LEU . . . . . 0.62 HD21 ' C4 ' ' C' ' 22' ' ' IPH . 36.0 mt -124.59 -14.53 6.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.836 0.351 . . . . 0.0 111.077 178.658 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' L' L ' 7' ' ' CYS . . . . . 0.421 ' HB3' ' HA ' ' L' ' 4' ' ' GLN . 19.4 t -86.34 -40.53 15.36 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.907 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' L' L ' 8' ' ' GLY . . . . . 0.5 ' O ' HG22 ' L' ' 12' ' ' VAL . . . -60.72 -30.05 71.58 Favored Glycine 0 N--CA 1.452 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 113.862 -179.006 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' L' L ' 9' ' ' SER . . . . . 0.967 ' HB2' ' HG2' ' J' ' 13' ' ' GLU . 25.1 p -61.65 -24.31 66.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.924 0.392 . . . . 0.0 111.521 -179.223 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' L' L ' 10' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -98.94 -16.82 18.63 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.95 -179.222 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' L' L ' 11' ' ' LEU . . . . . 0.675 HD11 ' HB2' ' K' ' 7' ' ' CYS . 71.3 mt -74.14 -38.92 63.61 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.301 -0.999 . . . . 0.0 108.301 177.652 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' L' L ' 12' ' ' VAL . . . . . 0.5 HG22 ' O ' ' L' ' 8' ' ' GLY . 2.9 m -69.63 -28.3 37.01 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.383 179.235 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' L' L ' 13' ' ' GLU . . . . . 0.981 ' HG2' ' HB2' ' J' ' 9' ' ' SER . 40.8 mt-10 -58.07 -47.17 83.98 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-O 121.158 0.504 . . . . 0.0 109.716 179.191 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' L' L ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.91 -30.68 61.34 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.648 179.248 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' L' L ' 15' ' ' LEU . . . . . 0.468 HD12 ' HA ' ' L' ' 12' ' ' VAL . 14.0 mt -54.98 -59.28 4.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.925 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' L' L ' 16' ' ' TYR . . . . . 0.978 ' HB3' ' HE2' ' L' ' 24' ' ' PHE . 8.7 p90 -76.88 -17.37 59.0 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 119.862 -0.735 . . . . 0.0 110.916 -179.087 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' L' L ' 17' ' ' LEU . . . . . 0.543 HD11 ' H5 ' ' E' ' 22' ' ' IPH . 9.1 tp -65.95 -44.41 85.1 Favored 'General case' 0 C--O 1.232 0.149 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 178.567 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 78.4 t -77.98 -42.28 27.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 114.794 -1.094 . . . . 0.0 109.593 178.187 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' L' L ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -87.24 50.78 2.07 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.145 179.73 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' L' L ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.61 128.55 43.49 Favored Glycine 0 N--CA 1.447 -0.607 0 CA-C-N 115.446 -0.797 . . . . 0.0 113.418 -178.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' L' L ' 21' ' ' GLU . . . . . 0.523 ' HA ' ' O ' ' J' ' 28' ' ' PRO . 52.3 mt-10 61.35 28.82 18.21 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.84 0.682 . . . . 0.0 112.84 179.166 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' L' L ' 22' ' ' ARG . . . . . . . . . . . . . 17.9 mtt180 -117.37 -104.12 0.41 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 178.083 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' L' L ' 23' ' ' GLY . . . . . 0.456 ' HA2' ' HD3' ' J' ' 28' ' ' PRO . . . 157.49 147.14 4.7 Favored Glycine 0 N--CA 1.444 -0.802 0 N-CA-C 111.332 -0.707 . . . . 0.0 111.332 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' L' L ' 24' ' ' PHE . . . . . 0.978 ' HE2' ' HB3' ' L' ' 16' ' ' TYR . 30.5 p90 -146.55 178.75 8.05 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.858 0.361 . . . . 0.0 110.322 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' L' L ' 25' ' ' PHE . . . . . . . . . . . . . 5.6 p90 -128.92 150.94 50.16 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.672 178.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' L' L ' 26' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -140.44 125.54 18.53 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.872 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' L' L ' 27' ' ' THR . . . . . 0.433 ' HA ' ' HD3' ' L' ' 28' ' ' PRO . 11.7 p -120.78 111.66 34.26 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.853 179.348 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' L' L ' 28' ' ' PRO . . . . . 0.551 ' HA ' ' OE1' ' L' ' 4' ' ' GLN . 9.2 Cg_exo -71.34 69.61 2.56 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 123.403 2.736 . . . . 0.0 111.619 -179.761 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' L' L ' 29' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -119.97 175.1 6.07 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.053 -179.349 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' L' L ' 30' ' ' THR . . . . . . . . . . . . . 13.0 t . . . . . 0 C--O 1.248 0.984 0 CA-C-O 118.816 -0.611 . . . . 0.0 109.789 179.763 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 22' ' ' IPH . . . . . 0.614 ' H3 ' HD23 ' B' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 22' ' ' IPH . . . . . 0.62 ' C4 ' HD21 ' L' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 22' ' ' IPH . . . . . 0.615 ' C4 ' HD21 ' J' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 22' ' ' IPH . . . . . 0.602 ' C4 ' HD21 ' D' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 22' ' ' IPH . . . . . 0.62 ' H3 ' HD23 ' J' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' K' K ' 22' ' ' IPH . . . . . 0.624 ' C4 ' HD21 ' H' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.599 0 N-CA-C 112.066 -0.414 . . . . 0.0 112.066 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.537 HD11 HD11 ' B' ' 15' ' ' LEU . 13.3 tt -139.49 -38.12 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 CA-C-N 116.946 0.373 . . . . 0.0 111.792 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.549 HG11 ' HA ' ' B' ' 28' ' ' PRO . 14.1 m -67.49 -50.81 58.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -179.059 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -75.53 -10.39 59.41 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.741 0.305 . . . . 0.0 111.505 179.608 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -90.46 -36.27 14.64 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.857 0.36 . . . . 0.0 110.866 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 81.1 m -104.27 -34.78 8.22 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 -178.069 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.497 ' HB2' HD11 ' B' ' 11' ' ' LEU . 8.2 t -86.1 35.88 0.66 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.32 0.581 . . . . 0.0 110.818 -179.648 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.514 ' C ' HG13 ' F' ' 2' ' ' VAL . 5.7 t -119.37 -62.73 1.47 Allowed 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 178.268 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.499 ' H ' HG23 ' A' ' 8' ' ' THR . 53.5 m -135.72 21.48 3.33 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 121.496 -0.753 . . . . 0.0 110.644 178.174 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.537 HD12 HG12 ' F' ' 2' ' ' VAL . 2.7 mp 76.0 136.51 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 C-N-CA 123.563 0.745 . . . . 0.0 110.358 -178.638 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 47.1 m -91.38 173.21 8.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.974 0.416 . . . . 0.0 111.051 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.592 ' HB3' ' HG3' ' A' ' 15' ' ' GLN . 43.2 t -86.38 152.19 22.92 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 177.676 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.3 tt -60.02 -32.98 71.4 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.132 0.491 . . . . 0.0 110.044 -179.64 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -73.15 -30.8 63.84 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.064 179.666 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.592 ' HG3' ' HB3' ' A' ' 12' ' ' SER . 87.6 mt-30 -70.41 -33.18 71.05 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.951 179.775 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 77.5 mt -67.47 -28.46 67.88 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.924 0.392 . . . . 0.0 110.705 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.668 ' HA ' ' SG ' ' A' ' 20' ' ' CYS . 67.4 tt0 -72.49 -13.07 61.34 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 121.094 0.473 . . . . 0.0 110.494 179.583 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.488 ' HB2' ' O ' ' A' ' 15' ' ' GLN . 3.9 m120 -69.86 -16.51 63.26 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.274 178.669 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -107.35 7.76 29.32 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.234 -179.035 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.668 ' SG ' ' HA ' ' A' ' 17' ' ' GLU . 87.4 m -76.32 83.02 3.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.887 0.375 . . . . 0.0 111.77 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 . . . . . 0 C--O 1.248 0.976 0 CA-C-O 118.297 -0.858 . . . . 0.0 111.125 178.57 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 18.9 t80 . . . . . 0 N--CA 1.482 1.125 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.639 ' HB ' ' CD1' ' B' ' 6' ' ' LEU . 13.9 m -65.51 102.29 0.42 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 CA-C-O 121.353 0.596 . . . . 0.0 110.776 179.737 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 3' ' ' ASN . . . . . 0.557 ' O ' ' HB3' ' B' ' 7' ' ' CYS . 45.3 t30 -164.72 -68.49 0.04 OUTLIER 'General case' 0 C--O 1.214 -0.797 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.313 -179.242 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -54.12 -46.67 72.23 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.027 0.442 . . . . 0.0 111.808 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 51.9 t60 -81.08 -2.26 47.5 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -178.287 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.639 ' CD1' ' HB ' ' B' ' 2' ' ' VAL . 24.2 mt -116.12 -27.57 6.86 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.309 0.576 . . . . 0.0 110.7 179.34 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 7' ' ' CYS . . . . . 0.557 ' HB3' ' O ' ' B' ' 3' ' ' ASN . 0.0 OUTLIER -92.16 -36.69 13.15 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.112 -178.543 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.49 -33.85 59.33 Favored Glycine 0 C--N 1.334 0.46 0 C-N-CA 121.225 -0.512 . . . . 0.0 113.178 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' SER . . . . . 0.838 ' HB2' ' HG2' ' D' ' 13' ' ' GLU . 83.2 p -67.54 -11.82 58.91 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.955 0.407 . . . . 0.0 111.905 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 10' ' ' HIS . . . . . 0.704 ' HA ' ' HG3' ' B' ' 13' ' ' GLU . 99.0 m-70 -110.96 -15.65 13.71 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.809 -179.551 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.497 HD11 ' HB2' ' A' ' 7' ' ' CYS . 19.6 mt -72.02 -32.2 66.93 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 177.562 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.631 ' HA ' ' HB2' ' B' ' 15' ' ' LEU . 1.3 m -68.19 -27.95 39.02 Favored 'Isoleucine or valine' 0 C--O 1.232 0.136 0 CA-C-N 114.896 -1.047 . . . . 0.0 111.166 179.021 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.858 ' HG2' ' HB2' ' D' ' 9' ' ' SER . 18.3 mt-10 -61.52 -38.44 87.41 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 178.753 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -80.36 -30.14 37.95 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 114.88 -1.055 . . . . 0.0 110.414 178.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.631 ' HB2' ' HA ' ' B' ' 12' ' ' VAL . 11.2 mt -59.73 -61.79 2.36 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.926 179.736 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 16' ' ' TYR . . . . . 0.957 ' HB3' ' HE2' ' B' ' 24' ' ' PHE . 2.4 p90 -73.6 -4.32 33.37 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 119.848 -0.741 . . . . 0.0 110.691 -179.141 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.482 ' HB2' ' O ' ' B' ' 13' ' ' GLU . 9.1 tt -77.85 -45.83 23.17 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 177.524 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 91.4 t -73.58 -44.01 53.98 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.975 178.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 75.1 m -67.38 -27.27 66.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.511 179.43 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.14 -100.95 0.62 Allowed Glycine 0 C--N 1.332 0.308 0 CA-C-N 116.046 -0.525 . . . . 0.0 113.005 179.297 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.733 ' HB2' ' HD2' ' D' ' 29' ' ' LYS . 16.9 pt-20 -91.8 -14.62 29.52 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.054 0.454 . . . . 0.0 110.429 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 86.2 mtm180 -77.14 140.58 40.26 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.131 179.086 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' GLY . . . . . 0.613 ' HA2' ' HD3' ' D' ' 28' ' ' PRO . . . -85.32 -177.87 50.67 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.722 -0.752 . . . . 0.0 111.574 179.525 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 24' ' ' PHE . . . . . 0.957 ' HE2' ' HB3' ' B' ' 16' ' ' TYR . 14.9 p90 -154.9 167.46 30.21 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.203 0.525 . . . . 0.0 111.064 179.669 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -114.54 120.31 39.78 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 179.277 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -119.98 120.71 37.13 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.131 0.491 . . . . 0.0 111.603 -178.661 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 1.3 p -116.08 111.23 42.88 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.366 179.033 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' PRO . . . . . 0.586 ' HD3' ' HA2' ' D' ' 23' ' ' GLY . 15.5 Cg_exo -69.29 -10.81 29.93 Favored 'Trans proline' 0 N--CA 1.471 0.163 0 C-N-CA 123.222 2.614 . . . . 0.0 113.819 -178.06 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.694 ' HD2' ' HB2' ' D' ' 21' ' ' GLU . 79.4 tttt -102.45 -11.38 18.63 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.872 0.368 . . . . 0.0 110.991 -179.243 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 30' ' ' THR . . . . . 0.502 ' O ' HG22 ' A' ' 3' ' ' VAL . 58.5 m . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.542 -0.742 . . . . 0.0 110.07 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.62 0 N-CA-C 112.022 -0.431 . . . . 0.0 112.022 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 2' ' ' ILE . . . . . 0.529 HD11 HD11 ' D' ' 15' ' ' LEU . 12.3 tt -140.34 -38.16 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.838 0.351 . . . . 0.0 111.523 -179.734 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 3' ' ' VAL . . . . . 0.572 HG11 ' HA ' ' D' ' 28' ' ' PRO . 13.8 m -67.33 -50.44 62.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 C-N-CA 120.506 -0.477 . . . . 0.0 112.07 -179.327 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 4' ' ' GLU . . . . . 0.408 ' OE1' HG23 ' C' ' 3' ' ' VAL . 3.2 mp0 -76.84 -9.15 58.48 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.708 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -91.05 -36.71 13.88 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.604 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 84.3 m -104.0 -35.31 8.15 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 113.099 0.778 . . . . 0.0 113.099 -178.229 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 7' ' ' CYS . . . . . 0.498 ' HB2' HD11 ' D' ' 11' ' ' LEU . 8.0 t -85.59 36.66 0.66 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.273 0.558 . . . . 0.0 110.813 -179.748 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 8' ' ' THR . . . . . 0.545 HG23 ' H ' ' C' ' 9' ' ' SER . 4.9 t -119.55 -63.74 1.35 Allowed 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 178.255 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 9' ' ' SER . . . . . 0.545 ' H ' HG23 ' C' ' 8' ' ' THR . 62.0 m -135.42 21.35 3.39 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 121.654 -0.653 . . . . 0.0 110.606 178.121 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 10' ' ' ILE . . . . . 0.547 HD12 HG12 ' L' ' 2' ' ' VAL . 2.7 mp 76.4 135.97 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 123.557 0.743 . . . . 0.0 110.426 -179.024 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 53.4 m -90.83 173.07 8.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.191 0.52 . . . . 0.0 111.388 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 12' ' ' SER . . . . . 0.579 ' HB3' ' HG3' ' C' ' 15' ' ' GLN . 40.4 t -86.43 151.11 23.8 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 177.676 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 9.5 tt -59.16 -33.53 71.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.107 0.479 . . . . 0.0 110.218 -179.61 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -72.21 -31.8 66.19 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.91 179.562 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 15' ' ' GLN . . . . . 0.579 ' HG3' ' HB3' ' C' ' 12' ' ' SER . 87.2 mt-30 -69.61 -33.33 72.52 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.097 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 75.2 mt -67.15 -28.81 68.44 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.84 0.352 . . . . 0.0 110.633 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 17' ' ' GLU . . . . . 0.684 ' HA ' ' SG ' ' C' ' 20' ' ' CYS . 68.1 tt0 -71.96 -13.5 61.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.551 179.501 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 18' ' ' ASN . . . . . 0.514 ' HB2' ' O ' ' C' ' 15' ' ' GLN . 3.8 m120 -69.15 -18.48 63.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.109 0.481 . . . . 0.0 110.298 178.754 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -105.82 8.02 32.59 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.27 -178.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 20' ' ' CYS . . . . . 0.684 ' SG ' ' HA ' ' C' ' 17' ' ' GLU . 85.9 m -76.53 82.24 3.22 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.795 -179.783 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 . . . . . 0 C--O 1.25 1.087 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.35 178.605 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 16.2 t80 . . . . . 0 N--CA 1.479 0.995 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 2' ' ' VAL . . . . . 0.641 ' HB ' ' CD1' ' D' ' 6' ' ' LEU . 14.3 m -65.29 102.93 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 CA-C-O 121.379 0.609 . . . . 0.0 110.478 179.805 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 3' ' ' ASN . . . . . 0.545 ' O ' ' HB3' ' D' ' 7' ' ' CYS . 46.9 t30 -165.59 -69.59 0.03 OUTLIER 'General case' 0 C--O 1.215 -0.729 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.039 -179.171 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -53.43 -45.93 69.63 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.964 0.412 . . . . 0.0 112.043 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 5' ' ' HIS . . . . . . . . . . . . . 50.9 t60 -81.79 -2.7 51.75 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -178.146 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 6' ' ' LEU . . . . . 0.641 ' CD1' ' HB ' ' D' ' 2' ' ' VAL . 23.5 mt -115.42 -27.52 7.16 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.293 0.568 . . . . 0.0 110.809 179.476 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 7' ' ' CYS . . . . . 0.545 ' HB3' ' O ' ' D' ' 3' ' ' ASN . 0.0 OUTLIER -92.05 -36.85 13.14 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.135 -178.477 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' D' D ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.27 -34.21 58.89 Favored Glycine 0 C--N 1.336 0.561 0 C-N-CA 121.173 -0.537 . . . . 0.0 113.211 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 9' ' ' SER . . . . . 0.858 ' HB2' ' HG2' ' B' ' 13' ' ' GLU . 86.1 p -67.09 -12.39 59.82 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.886 0.374 . . . . 0.0 111.94 -179.689 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 10' ' ' HIS . . . . . 0.711 ' HA ' ' HG3' ' D' ' 13' ' ' GLU . 99.0 m-70 -110.51 -15.99 13.77 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 120.834 0.349 . . . . 0.0 110.877 -179.523 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 11' ' ' LEU . . . . . 0.498 HD11 ' HB2' ' C' ' 7' ' ' CYS . 20.7 mt -71.8 -32.17 67.33 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 177.567 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 12' ' ' VAL . . . . . 0.623 ' HA ' ' HB2' ' D' ' 15' ' ' LEU . 1.5 m -68.18 -28.2 39.99 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 CA-C-N 114.958 -1.019 . . . . 0.0 111.322 178.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 13' ' ' GLU . . . . . 0.838 ' HG2' ' HB2' ' B' ' 9' ' ' SER . 17.6 mt-10 -61.31 -38.49 87.04 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 178.586 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -80.07 -30.67 39.35 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 114.801 -1.09 . . . . 0.0 110.401 179.084 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 15' ' ' LEU . . . . . 0.623 ' HB2' ' HA ' ' D' ' 12' ' ' VAL . 11.1 mt -59.54 -61.97 2.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.97 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 16' ' ' TYR . . . . . 1.012 ' HB3' ' HE2' ' D' ' 24' ' ' PHE . 2.3 p90 -73.01 -5.09 36.5 Favored 'General case' 0 CA--C 1.528 0.103 0 C-N-CA 119.921 -0.712 . . . . 0.0 110.841 -179.333 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 17' ' ' LEU . . . . . 0.476 ' HB2' ' O ' ' D' ' 13' ' ' GLU . 9.0 tt -77.75 -45.82 23.55 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 177.56 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 90.0 t -73.37 -43.64 56.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.867 178.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 19' ' ' CYS . . . . . . . . . . . . . 78.1 m -68.36 -26.76 65.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.66 179.513 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.24 -102.98 0.79 Allowed Glycine 0 N--CA 1.45 -0.374 0 CA-C-N 115.994 -0.548 . . . . 0.0 113.003 179.487 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 21' ' ' GLU . . . . . 0.694 ' HB2' ' HD2' ' B' ' 29' ' ' LYS . 17.3 pt-20 -89.77 -13.57 36.41 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.917 0.389 . . . . 0.0 110.531 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 22' ' ' ARG . . . . . . . . . . . . . 85.4 mtm180 -78.67 140.93 38.31 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.085 179.243 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 23' ' ' GLY . . . . . 0.586 ' HA2' ' HD3' ' B' ' 28' ' ' PRO . . . -85.07 -177.23 50.88 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.508 -0.853 . . . . 0.0 111.62 179.634 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 24' ' ' PHE . . . . . 1.012 ' HE2' ' HB3' ' D' ' 16' ' ' TYR . 14.4 p90 -155.45 167.21 31.13 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.069 0.462 . . . . 0.0 111.031 179.543 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 25' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -114.45 120.62 40.92 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 179.25 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 26' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -120.27 120.47 36.16 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.12 0.486 . . . . 0.0 111.591 -178.653 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 27' ' ' THR . . . . . . . . . . . . . 1.2 p -115.72 111.21 43.68 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.447 178.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 28' ' ' PRO . . . . . 0.613 ' HD3' ' HA2' ' B' ' 23' ' ' GLY . 15.6 Cg_exo -68.76 -10.8 30.15 Favored 'Trans proline' 0 CA--C 1.529 0.252 0 C-N-CA 123.32 2.68 . . . . 0.0 114.015 -178.157 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 29' ' ' LYS . . . . . 0.733 ' HD2' ' HB2' ' B' ' 21' ' ' GLU . 78.6 tttt -103.03 -10.42 18.94 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.902 0.382 . . . . 0.0 111.131 -179.189 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 30' ' ' THR . . . . . 0.538 ' O ' HG22 ' C' ' 3' ' ' VAL . 34.8 m . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.543 -0.742 . . . . 0.0 109.911 179.618 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.657 0 N-CA-C 111.601 -0.6 . . . . 0.0 111.601 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' E' E ' 2' ' ' ILE . . . . . 0.54 HD11 HD11 ' F' ' 15' ' ' LEU . 13.4 tt -137.61 -38.26 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 111.784 0.29 . . . . 0.0 111.784 -179.577 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 3' ' ' VAL . . . . . 0.545 HG11 ' HA ' ' F' ' 28' ' ' PRO . 14.5 m -67.24 -50.17 65.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 120.516 -0.474 . . . . 0.0 112.262 -179.306 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 4' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -76.94 -8.17 56.89 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.8 0.333 . . . . 0.0 111.561 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -92.21 -36.32 13.33 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.746 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 6' ' ' CYS . . . . . . . . . . . . . 81.3 m -104.48 -34.86 8.09 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -178.178 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 7' ' ' CYS . . . . . 0.487 ' HB2' HD11 ' F' ' 11' ' ' LEU . 8.1 t -85.76 35.44 0.62 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.236 0.541 . . . . 0.0 110.741 -179.691 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 8' ' ' THR . . . . . 0.53 HG23 ' H ' ' E' ' 9' ' ' SER . 6.4 t -118.79 -63.6 1.38 Allowed 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 178.482 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 9' ' ' SER . . . . . 0.53 ' H ' HG23 ' E' ' 8' ' ' THR . 56.2 m -135.82 22.2 3.32 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 121.52 -0.738 . . . . 0.0 110.443 178.078 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 10' ' ' ILE . . . . . 0.557 HD12 HG12 ' J' ' 2' ' ' VAL . 2.6 mp 75.73 135.72 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 C-N-CA 123.591 0.756 . . . . 0.0 110.525 -178.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 11' ' ' CYS . . . . . . . . . . . . . 50.5 m -90.1 172.77 8.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.963 0.411 . . . . 0.0 111.081 179.488 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 12' ' ' SER . . . . . 0.585 ' HB3' ' HG3' ' E' ' 15' ' ' GLN . 47.1 t -86.54 152.27 22.77 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 177.504 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 9.3 tt -59.49 -34.15 72.23 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.091 0.472 . . . . 0.0 110.123 -179.409 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -71.86 -31.59 66.62 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.04 179.563 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 15' ' ' GLN . . . . . 0.585 ' HG3' ' HB3' ' E' ' 12' ' ' SER . 86.0 mt-30 -69.86 -33.14 71.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.129 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 16' ' ' LEU . . . . . . . . . . . . . 75.6 mt -67.08 -29.16 68.85 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.849 0.357 . . . . 0.0 110.452 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 17' ' ' GLU . . . . . 0.679 ' HA ' ' SG ' ' E' ' 20' ' ' CYS . 65.9 tt0 -71.81 -12.68 61.41 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.17 0.509 . . . . 0.0 110.721 179.57 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 18' ' ' ASN . . . . . 0.488 ' HB2' ' O ' ' E' ' 15' ' ' GLN . 3.8 m120 -70.52 -16.82 62.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.209 178.614 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 19' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -106.75 7.15 30.23 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.268 -179.054 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 20' ' ' CYS . . . . . 0.679 ' SG ' ' HA ' ' E' ' 17' ' ' GLU . 84.6 m -75.98 83.02 2.86 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.686 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 21' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.316 -0.849 . . . . 0.0 111.124 178.616 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' F' F ' 1' ' ' PHE . . . . . . . . . . . . . 18.1 t80 . . . . . 0 N--CA 1.479 1.013 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' F' F ' 2' ' ' VAL . . . . . 0.639 ' HB ' ' CD1' ' F' ' 6' ' ' LEU . 13.2 m -65.34 102.62 0.42 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-O 121.392 0.615 . . . . 0.0 110.853 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' F' F ' 3' ' ' ASN . . . . . 0.54 ' O ' ' HB3' ' F' ' 7' ' ' CYS . 46.7 t30 -164.94 -68.88 0.04 OUTLIER 'General case' 0 C--O 1.212 -0.869 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.312 -179.299 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' F' F ' 4' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -53.66 -46.8 70.7 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.867 0.365 . . . . 0.0 111.754 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 5' ' ' HIS . . . . . . . . . . . . . 52.6 t60 -80.55 -3.15 49.13 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.5 0.556 . . . . 0.0 112.5 -178.234 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 6' ' ' LEU . . . . . 0.639 ' CD1' ' HB ' ' F' ' 2' ' ' VAL . 23.5 mt -115.17 -27.68 7.21 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.314 0.578 . . . . 0.0 110.726 179.598 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' F' F ' 7' ' ' CYS . . . . . 0.54 ' HB3' ' O ' ' F' ' 3' ' ' ASN . 0.0 OUTLIER -92.1 -36.68 13.2 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.12 -178.297 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' F' F ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.86 -33.48 60.17 Favored Glycine 0 C--N 1.334 0.46 0 C-N-CA 121.264 -0.494 . . . . 0.0 113.07 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 9' ' ' SER . . . . . 0.826 ' HB2' ' HG2' ' H' ' 13' ' ' GLU . 86.2 p -67.39 -12.65 60.76 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.951 0.405 . . . . 0.0 111.788 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' F' F ' 10' ' ' HIS . . . . . 0.705 ' HA ' ' HG3' ' F' ' 13' ' ' GLU . 99.0 m-70 -110.33 -16.05 13.81 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.886 -179.572 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' F' F ' 11' ' ' LEU . . . . . 0.487 HD11 ' HB2' ' E' ' 7' ' ' CYS . 19.8 mt -71.71 -31.76 67.07 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 177.699 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' F' F ' 12' ' ' VAL . . . . . 0.608 ' HA ' ' HB2' ' F' ' 15' ' ' LEU . 1.4 m -68.52 -28.01 38.64 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-N 114.927 -1.033 . . . . 0.0 111.071 179.003 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' F' F ' 13' ' ' GLU . . . . . 0.837 ' HG2' ' HB2' ' H' ' 9' ' ' SER . 18.8 mt-10 -61.53 -38.47 87.53 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 178.783 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' F' F ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.98 -30.14 39.65 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 114.955 -1.02 . . . . 0.0 110.392 178.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 15' ' ' LEU . . . . . 0.608 ' HB2' ' HA ' ' F' ' 12' ' ' VAL . 11.2 mt -59.79 -61.64 2.46 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.011 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' F' F ' 16' ' ' TYR . . . . . 1.001 ' HB3' ' HE2' ' F' ' 24' ' ' PHE . 2.4 p90 -73.51 -4.51 34.29 Favored 'General case' 0 C--N 1.333 -0.131 0 C-N-CA 119.877 -0.729 . . . . 0.0 110.819 -179.298 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' F' F ' 17' ' ' LEU . . . . . 0.47 ' HB2' ' O ' ' F' ' 13' ' ' GLU . 8.9 tt -77.98 -45.75 22.98 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 177.451 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 85.4 t -73.5 -44.9 53.14 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.749 178.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 19' ' ' CYS . . . . . . . . . . . . . 77.6 m -66.5 -27.32 67.68 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.724 179.357 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.14 -102.58 0.8 Allowed Glycine 0 C--N 1.331 0.29 0 CA-C-N 115.985 -0.552 . . . . 0.0 112.706 179.569 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 21' ' ' GLU . . . . . 0.69 ' HB2' ' HD2' ' H' ' 29' ' ' LYS . 16.9 pt-20 -90.5 -13.29 34.99 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.095 0.474 . . . . 0.0 110.706 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' F' F ' 22' ' ' ARG . . . . . . . . . . . . . 85.6 mtm180 -78.55 140.21 38.55 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.245 179.202 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 23' ' ' GLY . . . . . 0.59 ' HA2' ' HD3' ' H' ' 28' ' ' PRO . . . -84.87 -177.89 51.06 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.472 -0.87 . . . . 0.0 111.696 179.577 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' F' F ' 24' ' ' PHE . . . . . 1.001 ' HE2' ' HB3' ' F' ' 16' ' ' TYR . 13.8 p90 -154.98 167.39 30.5 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.17 0.51 . . . . 0.0 111.052 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' F' F ' 25' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -114.96 119.44 36.53 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 179.527 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 26' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -119.01 121.04 39.0 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.203 0.525 . . . . 0.0 111.592 -178.666 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 27' ' ' THR . . . . . 0.447 ' HA ' ' HD3' ' F' ' 28' ' ' PRO . 1.2 p -116.33 111.38 42.23 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 115.177 -0.92 . . . . 0.0 109.258 178.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' F' F ' 28' ' ' PRO . . . . . 0.624 ' HD3' ' HA2' ' H' ' 23' ' ' GLY . 16.4 Cg_exo -69.34 -11.2 30.84 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 123.341 2.694 . . . . 0.0 113.907 -177.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' F' F ' 29' ' ' LYS . . . . . 0.768 ' HD2' ' HB2' ' H' ' 21' ' ' GLU . 77.8 tttt -102.44 -12.56 17.76 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.821 -0.351 . . . . 0.0 110.737 -179.239 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' F' F ' 30' ' ' THR . . . . . 0.522 ' O ' HG22 ' E' ' 3' ' ' VAL . 26.5 m . . . . . 0 C--O 1.248 0.981 0 CA-C-O 118.68 -0.676 . . . . 0.0 110.088 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.438 0 N-CA-C 111.729 -0.548 . . . . 0.0 111.729 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' G' G ' 2' ' ' ILE . . . . . 0.552 HD11 HD11 ' H' ' 15' ' ' LEU . 13.4 tt -138.74 -38.91 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.87 0.335 . . . . 0.0 111.543 -179.553 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' G' G ' 3' ' ' VAL . . . . . 0.569 HG22 ' O ' ' H' ' 30' ' ' THR . 15.3 m -67.34 -49.51 71.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 C-N-CA 120.309 -0.557 . . . . 0.0 112.269 -179.206 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' G' G ' 4' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -77.05 -8.93 58.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 122.109 -0.369 . . . . 0.0 111.51 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 5' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -91.59 -36.81 13.46 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 120.966 0.412 . . . . 0.0 110.706 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 6' ' ' CYS . . . . . . . . . . . . . 84.0 m -103.69 -35.07 8.38 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 113.232 0.827 . . . . 0.0 113.232 -178.243 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 7' ' ' CYS . . . . . 0.482 ' HB2' HD11 ' H' ' 11' ' ' LEU . 8.0 t -85.68 36.26 0.65 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.385 0.612 . . . . 0.0 110.877 -179.749 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' G' G ' 8' ' ' THR . . . . . 0.544 HG23 ' H ' ' G' ' 9' ' ' SER . 5.8 t -119.37 -63.87 1.34 Allowed 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 178.458 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' G' G ' 9' ' ' SER . . . . . 0.544 ' H ' HG23 ' G' ' 8' ' ' THR . 54.9 m -136.48 24.17 3.18 Favored 'General case' 0 C--N 1.322 -0.595 0 O-C-N 121.684 -0.635 . . . . 0.0 110.46 177.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' G' G ' 10' ' ' ILE . . . . . 0.541 HD12 HG12 ' D' ' 2' ' ' VAL . 2.8 mp 74.11 137.32 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.682 -179.164 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' G' G ' 11' ' ' CYS . . . . . . . . . . . . . 47.3 m -91.82 173.65 7.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.249 0.547 . . . . 0.0 111.167 179.656 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 12' ' ' SER . . . . . 0.609 ' HB3' ' HG3' ' G' ' 15' ' ' GLN . 38.1 t -87.06 150.51 23.97 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 177.649 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' G' G ' 13' ' ' LEU . . . . . . . . . . . . . 9.1 tt -58.3 -33.98 70.05 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.053 0.454 . . . . 0.0 110.127 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -72.65 -30.0 63.93 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.248 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 15' ' ' GLN . . . . . 0.609 ' HG3' ' HB3' ' G' ' 12' ' ' SER . 86.9 mt-30 -71.54 -32.53 68.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.985 179.805 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' G' G ' 16' ' ' LEU . . . . . . . . . . . . . 77.6 mt -67.47 -28.92 68.27 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.379 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 17' ' ' GLU . . . . . 0.671 ' HA ' ' SG ' ' G' ' 20' ' ' CYS . 63.3 tt0 -71.83 -14.04 61.86 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-O 121.086 0.47 . . . . 0.0 110.599 179.551 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' G' G ' 18' ' ' ASN . . . . . 0.491 ' HB2' ' O ' ' G' ' 15' ' ' GLN . 3.7 m120 -68.46 -18.58 64.44 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.173 178.531 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' G' G ' 19' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -105.13 6.41 33.13 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.327 -178.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 20' ' ' CYS . . . . . 0.671 ' SG ' ' HA ' ' G' ' 17' ' ' GLU . 88.1 m -74.59 82.76 2.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.837 0.351 . . . . 0.0 111.932 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' G' G ' 21' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.073 -0.965 . . . . 0.0 110.839 178.628 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' H' H ' 1' ' ' PHE . . . . . . . . . . . . . 18.3 t80 . . . . . 0 N--CA 1.482 1.126 0 N-CA-C 110.013 -0.365 . . . . 0.0 110.013 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' H' H ' 2' ' ' VAL . . . . . 0.633 ' HB ' ' CD1' ' H' ' 6' ' ' LEU . 13.7 m -64.39 102.22 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.13 0 CA-C-O 121.315 0.579 . . . . 0.0 110.847 179.58 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' H' H ' 3' ' ' ASN . . . . . 0.549 ' O ' ' HB3' ' H' ' 7' ' ' CYS . 45.6 t30 -165.14 -68.23 0.03 OUTLIER 'General case' 0 C--O 1.212 -0.875 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.265 -179.277 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' H' H ' 4' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -54.3 -46.1 72.69 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.856 0.36 . . . . 0.0 111.75 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' H' H ' 5' ' ' HIS . . . . . . . . . . . . . 51.1 t60 -81.7 -2.41 50.39 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -178.38 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' H' H ' 6' ' ' LEU . . . . . 0.633 ' CD1' ' HB ' ' H' ' 2' ' ' VAL . 24.6 mt -115.61 -27.35 7.14 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.186 0.517 . . . . 0.0 110.649 179.539 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' H' H ' 7' ' ' CYS . . . . . 0.549 ' HB3' ' O ' ' H' ' 3' ' ' ASN . 0.0 OUTLIER -92.5 -36.6 12.98 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.993 -178.408 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' H' H ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.53 -33.97 59.59 Favored Glycine 0 C--N 1.333 0.409 0 C-N-CA 121.234 -0.507 . . . . 0.0 113.061 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' H' H ' 9' ' ' SER . . . . . 0.837 ' HB2' ' HG2' ' F' ' 13' ' ' GLU . 88.6 p -67.32 -12.21 59.58 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.898 0.38 . . . . 0.0 111.899 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' H' H ' 10' ' ' HIS . . . . . 0.707 ' HA ' ' HG3' ' H' ' 13' ' ' GLU . 98.9 m-70 -110.76 -15.66 13.77 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.777 -179.529 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' H' H ' 11' ' ' LEU . . . . . 0.482 HD11 ' HB2' ' G' ' 7' ' ' CYS . 20.3 mt -72.23 -31.6 65.98 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 177.661 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' H' H ' 12' ' ' VAL . . . . . 0.632 ' HA ' ' HB2' ' H' ' 15' ' ' LEU . 1.4 m -68.97 -27.74 36.73 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.19 178.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' H' H ' 13' ' ' GLU . . . . . 0.826 ' HG2' ' HB2' ' F' ' 9' ' ' SER . 17.9 mt-10 -61.53 -38.84 88.88 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 178.562 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' H' H ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.58 -30.76 41.69 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 114.885 -1.052 . . . . 0.0 110.463 178.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' H' H ' 15' ' ' LEU . . . . . 0.632 ' HB2' ' HA ' ' H' ' 12' ' ' VAL . 11.0 mt -59.44 -61.76 2.39 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.899 -0.591 . . . . 0.0 112.052 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' H' H ' 16' ' ' TYR . . . . . 0.964 ' HB3' ' HE2' ' H' ' 24' ' ' PHE . 2.3 p90 -73.23 -4.97 36.34 Favored 'General case' 0 C--O 1.227 -0.117 0 C-N-CA 119.817 -0.753 . . . . 0.0 110.886 -179.293 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' H' H ' 17' ' ' LEU . . . . . 0.477 ' HB2' ' O ' ' H' ' 13' ' ' GLU . 9.1 tt -77.48 -46.29 22.95 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 177.584 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 86.7 t -73.31 -42.67 57.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.961 178.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' H' H ' 19' ' ' CYS . . . . . . . . . . . . . 76.0 m -69.32 -26.39 64.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.481 179.515 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' H' H ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.38 -102.4 0.73 Allowed Glycine 0 C--N 1.33 0.214 0 CA-C-N 116.067 -0.515 . . . . 0.0 112.825 179.449 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' H' H ' 21' ' ' GLU . . . . . 0.768 ' HB2' ' HD2' ' F' ' 29' ' ' LYS . 14.9 pt-20 -90.71 -13.59 33.82 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.035 0.445 . . . . 0.0 110.341 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' H' H ' 22' ' ' ARG . . . . . . . . . . . . . 85.2 mtm180 -78.12 138.98 39.01 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.285 179.152 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' H' H ' 23' ' ' GLY . . . . . 0.624 ' HA2' ' HD3' ' F' ' 28' ' ' PRO . . . -83.6 -178.42 51.95 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.726 -0.75 . . . . 0.0 111.623 179.57 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' H' H ' 24' ' ' PHE . . . . . 0.964 ' HE2' ' HB3' ' H' ' 16' ' ' TYR . 15.7 p90 -154.76 167.65 29.51 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.982 0.42 . . . . 0.0 111.135 179.537 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' H' H ' 25' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -114.81 119.77 37.75 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 179.386 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' H' H ' 26' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -119.33 120.86 38.17 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.117 0.484 . . . . 0.0 111.812 -178.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' H' H ' 27' ' ' THR . . . . . 0.403 ' HA ' ' HD3' ' H' ' 28' ' ' PRO . 1.2 p -116.13 110.6 43.35 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.368 179.184 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' H' H ' 28' ' ' PRO . . . . . 0.59 ' HD3' ' HA2' ' F' ' 23' ' ' GLY . 16.1 Cg_exo -68.56 -11.38 31.77 Favored 'Trans proline' 0 CA--C 1.528 0.211 0 C-N-CA 123.295 2.663 . . . . 0.0 113.836 -178.173 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' H' H ' 29' ' ' LYS . . . . . 0.69 ' HD2' ' HB2' ' F' ' 21' ' ' GLU . 77.5 tttt -102.02 -11.96 18.52 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.89 0.376 . . . . 0.0 110.937 -179.306 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' H' H ' 30' ' ' THR . . . . . 0.569 ' O ' HG22 ' G' ' 3' ' ' VAL . 50.6 m . . . . . 0 C--O 1.251 1.17 0 CA-C-O 118.438 -0.791 . . . . 0.0 110.526 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.795 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' I' I ' 2' ' ' ILE . . . . . 0.533 HD11 HD11 ' J' ' 15' ' ' LEU . 13.3 tt -138.87 -38.27 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 O-C-N 122.66 -0.318 . . . . 0.0 111.728 -179.637 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' I' I ' 3' ' ' VAL . . . . . 0.565 HG22 ' O ' ' J' ' 30' ' ' THR . 15.5 m -67.89 -49.77 65.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 120.407 -0.517 . . . . 0.0 112.064 -179.106 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' I' I ' 4' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -76.68 -8.74 57.85 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.483 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 5' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -91.72 -37.47 12.99 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.757 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 6' ' ' CYS . . . . . . . . . . . . . 87.6 m -103.19 -34.87 8.67 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 -178.039 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 7' ' ' CYS . . . . . 0.485 ' HB2' HD11 ' J' ' 11' ' ' LEU . 7.9 t -85.73 35.58 0.63 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.231 0.539 . . . . 0.0 110.78 -179.568 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' I' I ' 8' ' ' THR . . . . . 0.514 ' C ' HG13 ' B' ' 2' ' ' VAL . 5.0 t -118.72 -63.8 1.36 Allowed 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 178.34 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' I' I ' 9' ' ' SER . . . . . 0.514 ' H ' HG23 ' I' ' 8' ' ' THR . 40.5 m -134.81 20.08 3.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 121.662 -0.649 . . . . 0.0 110.586 178.279 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' I' I ' 10' ' ' ILE . . . . . 0.555 HD12 HG12 ' B' ' 2' ' ' VAL . 2.6 mp 77.42 137.5 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 123.532 0.733 . . . . 0.0 110.2 -178.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' I' I ' 11' ' ' CYS . . . . . . . . . . . . . 55.0 m -92.47 172.17 8.56 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.322 0.582 . . . . 0.0 111.128 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 12' ' ' SER . . . . . 0.534 ' HB3' ' HG3' ' I' ' 15' ' ' GLN . 41.1 t -85.58 151.37 23.96 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 177.784 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' I' I ' 13' ' ' LEU . . . . . . . . . . . . . 9.2 tt -58.85 -33.31 70.29 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.139 0.495 . . . . 0.0 110.361 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -72.96 -31.61 64.67 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.002 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 15' ' ' GLN . . . . . 0.534 ' HG3' ' HB3' ' I' ' 12' ' ' SER . 88.3 mt-30 -69.73 -33.33 72.32 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.197 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' I' I ' 16' ' ' LEU . . . . . . . . . . . . . 77.7 mt -66.48 -29.43 69.54 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.863 0.363 . . . . 0.0 110.58 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 17' ' ' GLU . . . . . 0.69 ' HA ' ' SG ' ' I' ' 20' ' ' CYS . 62.9 tt0 -71.59 -14.08 61.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.623 179.594 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' I' I ' 18' ' ' ASN . . . . . 0.491 ' HB2' ' O ' ' I' ' 15' ' ' GLN . 3.6 m120 -69.29 -16.03 63.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.135 0.493 . . . . 0.0 110.276 178.555 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' I' I ' 19' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -107.92 7.81 28.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.069 -179.11 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 20' ' ' CYS . . . . . 0.69 ' SG ' ' HA ' ' I' ' 17' ' ' GLU . 85.9 m -76.38 82.36 3.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.115 0.483 . . . . 0.0 111.687 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' I' I ' 21' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 . . . . . 0 C--O 1.25 1.124 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.606 178.462 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' J' J ' 1' ' ' PHE . . . . . . . . . . . . . 21.6 t80 . . . . . 0 N--CA 1.48 1.068 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' J' J ' 2' ' ' VAL . . . . . 0.637 ' HB ' ' CD1' ' J' ' 6' ' ' LEU . 13.0 m -66.75 102.61 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 CA-C-O 121.435 0.636 . . . . 0.0 110.328 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' J' J ' 3' ' ' ASN . . . . . 0.522 ' O ' ' HB3' ' J' ' 7' ' ' CYS . 46.0 t30 -165.28 -69.39 0.03 OUTLIER 'General case' 0 C--O 1.214 -0.798 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.019 -179.047 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' J' J ' 4' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -53.33 -46.19 69.36 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.945 0.403 . . . . 0.0 111.906 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' J' J ' 5' ' ' HIS . . . . . . . . . . . . . 51.6 t60 -81.17 -3.31 51.77 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -178.228 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' J' J ' 6' ' ' LEU . . . . . 0.637 ' CD1' ' HB ' ' J' ' 2' ' ' VAL . 23.6 mt -115.11 -27.37 7.34 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.218 0.532 . . . . 0.0 110.839 179.736 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' J' J ' 7' ' ' CYS . . . . . 0.522 ' HB3' ' O ' ' J' ' 3' ' ' ASN . 0.0 OUTLIER -92.35 -36.6 13.08 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.075 -178.492 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' J' J ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.36 -34.31 59.3 Favored Glycine 0 C--N 1.334 0.443 0 C-N-CA 121.296 -0.478 . . . . 0.0 113.138 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' J' J ' 9' ' ' SER . . . . . 0.86 ' HB2' ' HG2' ' L' ' 13' ' ' GLU . 86.7 p -67.21 -12.32 59.76 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.955 0.407 . . . . 0.0 111.98 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' J' J ' 10' ' ' HIS . . . . . 0.699 ' HA ' ' HG3' ' J' ' 13' ' ' GLU . 99.0 m-70 -110.36 -15.94 13.83 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.816 0.341 . . . . 0.0 110.853 -179.59 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' J' J ' 11' ' ' LEU . . . . . 0.485 HD11 ' HB2' ' I' ' 7' ' ' CYS . 20.0 mt -72.12 -31.99 66.55 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 107.934 -1.135 . . . . 0.0 107.934 177.525 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' J' J ' 12' ' ' VAL . . . . . 0.632 ' HA ' ' HB2' ' J' ' 15' ' ' LEU . 1.4 m -68.15 -28.14 39.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 114.889 -1.05 . . . . 0.0 111.136 178.775 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' J' J ' 13' ' ' GLU . . . . . 0.857 ' HG2' ' HB2' ' L' ' 9' ' ' SER . 18.2 mt-10 -61.58 -38.15 86.51 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 178.666 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' J' J ' 14' ' ' ALA . . . . . . . . . . . . . . . -80.18 -30.97 38.86 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.333 178.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' J' J ' 15' ' ' LEU . . . . . 0.632 ' HB2' ' HA ' ' J' ' 12' ' ' VAL . 11.0 mt -59.21 -61.69 2.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.824 -0.625 . . . . 0.0 112.06 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' J' J ' 16' ' ' TYR . . . . . 0.997 ' HB3' ' HE2' ' J' ' 24' ' ' PHE . 2.3 p90 -73.7 -4.07 32.19 Favored 'General case' 0 C--O 1.227 -0.111 0 C-N-CA 119.803 -0.759 . . . . 0.0 110.804 -179.196 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' J' J ' 17' ' ' LEU . . . . . 0.485 ' HB2' ' O ' ' J' ' 13' ' ' GLU . 8.9 tt -78.31 -45.97 21.32 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 177.538 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 87.5 t -73.06 -44.03 57.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.285 -0.871 . . . . 0.0 109.889 178.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' J' J ' 19' ' ' CYS . . . . . . . . . . . . . 77.9 m -67.63 -27.3 66.76 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.6 179.524 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' J' J ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.11 -101.99 0.73 Allowed Glycine 0 C--N 1.33 0.218 0 CA-C-N 116.078 -0.51 . . . . 0.0 112.991 179.294 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' J' J ' 21' ' ' GLU . . . . . 0.712 ' HB2' ' HD2' ' L' ' 29' ' ' LYS . 17.6 pt-20 -91.14 -13.66 32.58 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.863 0.364 . . . . 0.0 110.306 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' J' J ' 22' ' ' ARG . . . . . . . . . . . . . 86.7 mtm180 -78.59 140.03 38.52 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.188 179.363 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' J' J ' 23' ' ' GLY . . . . . 0.613 ' HA2' ' HD3' ' L' ' 28' ' ' PRO . . . -84.23 -177.53 51.37 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.571 -0.823 . . . . 0.0 111.75 179.563 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' J' J ' 24' ' ' PHE . . . . . 0.997 ' HE2' ' HB3' ' J' ' 16' ' ' TYR . 15.3 p90 -155.23 167.77 29.25 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.045 0.45 . . . . 0.0 110.926 179.554 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' J' J ' 25' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -114.86 121.05 42.04 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 179.266 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' J' J ' 26' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -120.68 120.36 35.47 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.085 0.469 . . . . 0.0 111.591 -178.695 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' J' J ' 27' ' ' THR . . . . . . . . . . . . . 1.2 p -115.68 110.68 44.26 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.432 179.01 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' J' J ' 28' ' ' PRO . . . . . 0.593 ' HD3' ' HA2' ' L' ' 23' ' ' GLY . 16.5 Cg_exo -68.4 -11.35 31.7 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 123.205 2.604 . . . . 0.0 113.869 -178.07 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' J' J ' 29' ' ' LYS . . . . . 0.693 ' HD2' ' HB2' ' L' ' 21' ' ' GLU . 78.0 tttt -101.9 -13.12 17.77 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.777 0.322 . . . . 0.0 110.844 -179.181 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' J' J ' 30' ' ' THR . . . . . 0.565 ' O ' HG22 ' I' ' 3' ' ' VAL . 28.0 m . . . . . 0 C--O 1.25 1.12 0 CA-C-O 118.529 -0.748 . . . . 0.0 110.386 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.647 0 N-CA-C 112.088 -0.405 . . . . 0.0 112.088 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' K' K ' 2' ' ' ILE . . . . . 0.52 HD11 HD11 ' L' ' 15' ' ' LEU . 13.7 tt -140.92 -37.69 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' K' K ' 3' ' ' VAL . . . . . 0.574 HG11 ' HA ' ' L' ' 28' ' ' PRO . 15.1 m -68.35 -49.0 70.46 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -179.168 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' K' K ' 4' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -77.44 -9.77 59.07 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.867 -0.333 . . . . 0.0 111.446 179.655 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' K' K ' 5' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -90.79 -36.61 14.15 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.789 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' K' K ' 6' ' ' CYS . . . . . . . . . . . . . 90.3 m -104.41 -33.95 8.43 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 113.256 0.835 . . . . 0.0 113.256 -177.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' K' K ' 7' ' ' CYS . . . . . 0.499 ' HB2' HD11 ' L' ' 11' ' ' LEU . 8.5 t -86.57 35.91 0.68 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.184 0.516 . . . . 0.0 110.719 -179.668 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' K' K ' 8' ' ' THR . . . . . 0.497 ' C ' HG13 ' H' ' 2' ' ' VAL . 5.6 t -119.54 -61.52 1.61 Allowed 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 178.505 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' K' K ' 9' ' ' SER . . . . . 0.476 ' O ' ' HB ' ' K' ' 10' ' ' ILE . 49.9 m -137.47 22.06 2.94 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 121.766 -0.584 . . . . 0.0 110.611 178.142 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' K' K ' 10' ' ' ILE . . . . . 0.547 HD12 HG12 ' H' ' 2' ' ' VAL . 2.7 mp 75.72 137.46 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 C-N-CA 123.611 0.764 . . . . 0.0 110.309 -178.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' K' K ' 11' ' ' CYS . . . . . . . . . . . . . 51.4 m -92.68 172.73 8.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.312 0.577 . . . . 0.0 111.124 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' K' K ' 12' ' ' SER . . . . . 0.592 ' HB3' ' HG3' ' K' ' 15' ' ' GLN . 40.4 t -85.82 150.44 24.55 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 177.632 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' K' K ' 13' ' ' LEU . . . . . . . . . . . . . 9.3 tt -58.59 -33.09 69.59 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.102 0.477 . . . . 0.0 110.259 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -73.14 -31.07 64.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.944 179.655 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' K' K ' 15' ' ' GLN . . . . . 0.592 ' HG3' ' HB3' ' K' ' 12' ' ' SER . 87.9 mt-30 -70.1 -33.82 72.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.875 0.369 . . . . 0.0 111.054 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' K' K ' 16' ' ' LEU . . . . . . . . . . . . . 77.8 mt -66.32 -29.15 69.29 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.886 0.374 . . . . 0.0 110.624 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' K' K ' 17' ' ' GLU . . . . . 0.69 ' HA ' ' SG ' ' K' ' 20' ' ' CYS . 64.5 tt0 -71.67 -13.47 61.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.547 179.555 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' K' K ' 18' ' ' ASN . . . . . 0.49 ' HB2' ' O ' ' K' ' 15' ' ' GLN . 3.6 m120 -69.73 -16.58 63.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.327 178.698 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' K' K ' 19' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -106.75 5.39 28.63 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.226 -178.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' K' K ' 20' ' ' CYS . . . . . 0.69 ' SG ' ' HA ' ' K' ' 17' ' ' GLU . 84.9 m -74.08 84.22 1.8 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.795 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' K' K ' 21' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.195 -0.907 . . . . 0.0 111.458 178.621 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' L' L ' 1' ' ' PHE . . . . . . . . . . . . . 19.3 t80 . . . . . 0 N--CA 1.48 1.073 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' L' L ' 2' ' ' VAL . . . . . 0.641 ' HB ' ' CD1' ' L' ' 6' ' ' LEU . 13.3 m -65.56 102.27 0.42 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 CA-C-O 121.334 0.588 . . . . 0.0 110.724 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' L' L ' 3' ' ' ASN . . . . . 0.536 ' O ' ' HB3' ' L' ' 7' ' ' CYS . 45.3 t30 -165.34 -69.01 0.03 OUTLIER 'General case' 0 C--O 1.215 -0.745 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.025 -179.289 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' L' L ' 4' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -53.21 -46.16 68.94 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.879 0.371 . . . . 0.0 111.935 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' L' L ' 5' ' ' HIS . . . . . . . . . . . . . 54.0 t60 -81.79 -2.99 52.78 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -178.235 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' L' L ' 6' ' ' LEU . . . . . 0.641 ' CD1' ' HB ' ' L' ' 2' ' ' VAL . 23.3 mt -115.25 -27.29 7.31 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.199 0.523 . . . . 0.0 110.751 179.641 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' L' L ' 7' ' ' CYS . . . . . 0.536 ' HB3' ' O ' ' L' ' 3' ' ' ASN . 0.0 OUTLIER -92.42 -36.39 13.15 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.136 -178.417 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' L' L ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.34 -34.4 59.33 Favored Glycine 0 C--N 1.336 0.544 0 CA-C-N 116.231 -0.44 . . . . 0.0 113.195 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' L' L ' 9' ' ' SER . . . . . 0.857 ' HB2' ' HG2' ' J' ' 13' ' ' GLU . 85.3 p -67.32 -12.35 59.93 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.861 0.363 . . . . 0.0 111.803 -179.693 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' L' L ' 10' ' ' HIS . . . . . 0.707 ' HA ' ' HG3' ' L' ' 13' ' ' GLU . 99.0 m-70 -110.39 -15.89 13.83 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.709 0.29 . . . . 0.0 110.902 -179.524 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' L' L ' 11' ' ' LEU . . . . . 0.499 HD11 ' HB2' ' K' ' 7' ' ' CYS . 20.0 mt -71.98 -32.21 67.02 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 107.818 -1.178 . . . . 0.0 107.818 177.687 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' L' L ' 12' ' ' VAL . . . . . 0.616 ' HA ' ' HB2' ' L' ' 15' ' ' LEU . 1.6 m -68.21 -28.25 40.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 CA-C-N 114.962 -1.017 . . . . 0.0 111.176 178.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' L' L ' 13' ' ' GLU . . . . . 0.86 ' HG2' ' HB2' ' J' ' 9' ' ' SER . 18.1 mt-10 -61.31 -38.38 86.64 Favored 'General case' 0 CA--C 1.52 -0.181 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 178.799 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' L' L ' 14' ' ' ALA . . . . . . . . . . . . . . . -80.19 -30.47 38.73 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 114.92 -1.037 . . . . 0.0 110.417 178.77 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' L' L ' 15' ' ' LEU . . . . . 0.616 ' HB2' ' HA ' ' L' ' 12' ' ' VAL . 10.8 mt -59.61 -61.79 2.36 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.887 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' L' L ' 16' ' ' TYR . . . . . 0.967 ' HB3' ' HE2' ' L' ' 24' ' ' PHE . 2.3 p90 -73.39 -4.52 33.98 Favored 'General case' 0 C--N 1.334 -0.084 0 C-N-CA 119.892 -0.723 . . . . 0.0 110.921 -179.371 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' L' L ' 17' ' ' LEU . . . . . 0.492 ' HB2' ' O ' ' L' ' 13' ' ' GLU . 9.1 tt -78.02 -45.9 22.43 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 177.585 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 88.4 t -73.43 -44.38 54.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.155 -0.93 . . . . 0.0 109.838 178.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' L' L ' 19' ' ' CYS . . . . . . . . . . . . . 74.8 m -66.68 -28.05 68.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.694 179.361 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' L' L ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.87 -101.95 0.78 Allowed Glycine 0 N--CA 1.452 -0.299 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.776 179.231 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' L' L ' 21' ' ' GLU . . . . . 0.693 ' HB2' ' HD2' ' J' ' 29' ' ' LYS . 17.4 pt-20 -91.34 -13.43 32.55 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.003 0.43 . . . . 0.0 110.482 179.781 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' L' L ' 22' ' ' ARG . . . . . . . . . . . . . 85.8 mtm180 -78.67 139.5 38.5 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.161 179.053 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' L' L ' 23' ' ' GLY . . . . . 0.593 ' HA2' ' HD3' ' J' ' 28' ' ' PRO . . . -83.78 -178.18 51.77 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.844 -0.693 . . . . 0.0 111.735 179.573 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' L' L ' 24' ' ' PHE . . . . . 0.967 ' HE2' ' HB3' ' L' ' 16' ' ' TYR . 15.4 p90 -154.91 167.45 30.27 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.073 0.463 . . . . 0.0 110.828 179.501 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' L' L ' 25' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -114.25 121.2 42.98 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 179.296 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' L' L ' 26' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -120.87 120.12 34.61 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.169 0.509 . . . . 0.0 111.64 -178.63 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' L' L ' 27' ' ' THR . . . . . 0.432 ' HA ' ' HD3' ' L' ' 28' ' ' PRO . 1.3 p -115.32 111.49 44.4 Favored Pre-proline 0 C--N 1.321 -0.668 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.342 179.027 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' L' L ' 28' ' ' PRO . . . . . 0.613 ' HD3' ' HA2' ' J' ' 23' ' ' GLY . 15.6 Cg_exo -69.62 -10.68 29.29 Favored 'Trans proline' 0 N--CA 1.473 0.265 0 C-N-CA 123.182 2.588 . . . . 0.0 113.797 -178.096 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' L' L ' 29' ' ' LYS . . . . . 0.712 ' HD2' ' HB2' ' J' ' 21' ' ' GLU . 78.8 tttt -102.9 -10.51 18.98 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.852 0.358 . . . . 0.0 110.985 -179.367 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' L' L ' 30' ' ' THR . . . . . 0.552 ' O ' HG22 ' K' ' 3' ' ' VAL . 36.1 m . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.481 -0.771 . . . . 0.0 110.246 179.597 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' IPH . . . . . 0.46 ' H5 ' HD11 ' H' ' 17' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 22' ' ' IPH . . . . . 0.458 ' H5 ' HD11 ' J' ' 17' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 22' ' ' IPH . . . . . 0.467 ' H5 ' HD11 ' L' ' 17' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 22' ' ' IPH . . . . . 0.46 ' H5 ' HD11 ' B' ' 17' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 22' ' ' IPH . . . . . 0.467 ' H5 ' HD11 ' D' ' 17' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' K' K ' 22' ' ' IPH . . . . . 0.448 ' H5 ' HD11 ' F' ' 17' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.823 0 N-CA-C 112.026 -0.43 . . . . 0.0 112.026 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.762 HD13 ' HE1' ' B' ' 26' ' ' TYR . 10.7 tt -167.63 -25.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 120.836 0.35 . . . . 0.0 110.668 179.509 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.405 ' CG2' ' HB2' ' B' ' 28' ' ' PRO . 40.0 t -59.59 -75.07 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.518 -0.252 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.139 -179.664 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -59.2 -32.94 70.39 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.3 0.571 . . . . 0.0 110.974 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.429 ' HG2' ' SG ' ' A' ' 11' ' ' CYS . 33.3 tt0 -62.79 -47.75 82.11 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.195 -0.911 . . . . 0.0 112.775 -179.159 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 80.6 m -101.04 -27.31 13.34 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 -177.118 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 11.9 t -77.95 -2.2 35.73 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 122.093 -0.38 . . . . 0.0 111.121 -178.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.3 t -82.76 -44.52 15.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.023 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.414 ' HA ' ' O ' ' F' ' 2' ' ' VAL . 11.5 p -163.95 27.31 0.08 Allowed 'General case' 0 C--O 1.234 0.282 0 N-CA-C 111.585 0.217 . . . . 0.0 111.585 -179.646 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.861 HD13 ' HB3' ' F' ' 3' ' ' ASN . 1.7 mp 69.71 135.34 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 179.229 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.553 ' HB3' ' HG2' ' A' ' 15' ' ' GLN . 98.3 m -93.46 157.47 16.2 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.883 -1.053 . . . . 0.0 109.572 178.391 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.9 m -72.64 167.92 19.76 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.731 0.301 . . . . 0.0 111.026 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.8 tt -56.31 -52.93 62.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 112.014 -178.507 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -64.05 -25.4 68.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.766 0.317 . . . . 0.0 111.452 -179.245 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.553 ' HG2' ' HB3' ' A' ' 11' ' ' CYS . 37.4 tp60 -65.99 -37.82 86.93 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.209 0.528 . . . . 0.0 110.016 179.118 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.638 ' HB3' HD23 ' B' ' 15' ' ' LEU . 70.7 mt -72.92 -29.81 63.41 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.428 -0.806 . . . . 0.0 111.519 -179.483 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.41 ' O ' ' HB2' ' A' ' 20' ' ' CYS . 76.7 tt0 -60.46 -23.65 64.62 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-O 120.967 0.413 . . . . 0.0 111.265 -179.557 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 74.4 m-80 -64.71 -16.38 62.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.333 179.578 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -106.57 13.45 28.27 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.055 0.455 . . . . 0.0 111.171 -178.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 17' ' ' GLU . 1.1 m -85.12 160.53 19.93 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.392 179.689 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 44.6 t-20 . . . . . 0 C--O 1.246 0.872 0 CA-C-O 118.321 -0.847 . . . . 0.0 109.476 179.68 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 56.7 t80 . . . . . 0 N--CA 1.481 1.093 0 CA-C-O 120.559 0.219 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.415 ' O ' ' HA ' ' I' ' 9' ' ' SER . 33.5 m 46.0 -139.73 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 C-N-CA 123.949 0.9 . . . . 0.0 112.365 -179.132 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 3' ' ' ASN . . . . . 0.801 ' HB3' HD13 ' I' ' 10' ' ' ILE . 14.8 t-20 -160.22 169.47 23.17 Favored 'General case' 0 C--O 1.237 0.437 0 O-C-N 122.234 -0.291 . . . . 0.0 111.018 -177.547 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -46.26 -36.74 6.45 Favored 'General case' 0 N--CA 1.463 0.198 0 C-N-CA 124.374 1.07 . . . . 0.0 110.827 177.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' HIS . . . . . 0.567 ' CE1' ' HA ' ' D' ' 17' ' ' LEU . 80.6 t60 -57.79 -17.54 16.47 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 114.754 -1.112 . . . . 0.0 112.914 -179.42 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.693 HD21 ' H4 ' ' I' ' 22' ' ' IPH . 12.9 mt -117.38 -47.92 2.63 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 7' ' ' CYS . . . . . 0.411 ' O ' ' HG ' ' B' ' 11' ' ' LEU . 47.5 t -62.04 -43.38 98.97 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.785 0.326 . . . . 0.0 110.846 -179.013 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.64 -29.67 74.42 Favored Glycine 0 C--N 1.332 0.329 0 C-N-CA 121.018 -0.611 . . . . 0.0 112.544 179.619 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' SER . . . . . 0.468 ' HB3' ' HG2' ' D' ' 13' ' ' GLU . 5.1 m -66.65 -4.22 8.28 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 122.519 0.328 . . . . 0.0 111.705 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -123.03 -14.68 7.53 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.94 -0.304 . . . . 0.0 111.567 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.494 ' CD2' ' H3 ' ' A' ' 22' ' ' IPH . 30.7 mt -72.97 -17.9 61.42 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 177.756 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.988 HG21 HG21 ' D' ' 12' ' ' VAL . 6.3 m -66.46 -39.03 83.01 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 CA-C-N 114.537 -1.211 . . . . 0.0 110.232 178.127 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.489 ' HG2' ' HB3' ' D' ' 9' ' ' SER . 25.8 mt-10 -61.0 -34.69 75.2 Favored 'General case' 0 CA--C 1.52 -0.209 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 179.794 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.37 -50.28 68.32 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.206 -0.907 . . . . 0.0 109.957 178.425 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.638 HD23 ' HB3' ' A' ' 16' ' ' LEU . 42.8 mt -61.65 -43.55 98.65 Favored 'General case' 0 C--O 1.226 -0.183 0 CA-C-O 121.521 0.676 . . . . 0.0 109.54 178.635 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 16' ' ' TYR . . . . . 0.559 ' CD2' ' HE2' ' B' ' 24' ' ' PHE . 0.6 OUTLIER -57.15 -48.02 79.74 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.499 -1.228 . . . . 0.0 111.667 -179.125 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.569 ' HA ' ' CE1' ' D' ' 5' ' ' HIS . 1.9 mm? -59.23 -42.6 91.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.944 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 46.9 t -75.61 -32.3 24.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.703 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 19' ' ' CYS . . . . . 0.436 ' HB2' ' O ' ' B' ' 15' ' ' LEU . 0.1 OUTLIER -85.5 4.2 36.86 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -178.642 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.96 -114.34 6.27 Favored Glycine 0 CA--C 1.517 0.191 0 C-N-CA 121.115 -0.564 . . . . 0.0 112.754 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -124.81 22.31 8.16 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.981 0.42 . . . . 0.0 110.506 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 36.8 ttm105 -80.22 -43.37 21.57 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.187 0.518 . . . . 0.0 110.691 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 110.27 170.32 19.8 Favored Glycine 0 N--CA 1.446 -0.676 0 N-CA-C 110.59 -1.004 . . . . 0.0 110.59 -178.637 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' PHE . . . . . 0.636 ' HZ ' ' HB ' ' B' ' 12' ' ' VAL . 51.0 p90 -153.46 -177.38 6.31 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.294 0.568 . . . . 0.0 110.866 -179.491 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 7.2 p90 -124.2 139.44 53.92 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 178.382 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.762 ' HE1' HD13 ' A' ' 2' ' ' ILE . 16.7 t80 -132.5 87.55 2.43 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 119.632 -0.827 . . . . 0.0 111.818 -178.608 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 9.5 m -116.66 83.67 14.23 Favored Pre-proline 0 C--N 1.315 -0.909 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 177.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' PRO . . . . . 0.405 ' HB2' ' CG2' ' A' ' 3' ' ' VAL . 72.3 Cg_endo -78.76 -4.31 13.94 Favored 'Trans proline' 0 N--CA 1.459 -0.54 0 C-N-CA 122.89 2.393 . . . . 0.0 112.946 -177.761 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 55.5 tttm -61.7 105.32 0.53 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.038 179.27 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 10.7 m . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.837 -0.601 . . . . 0.0 109.809 -179.287 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.734 0 N-CA-C 111.609 -0.596 . . . . 0.0 111.609 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 2' ' ' ILE . . . . . 0.761 HD13 ' HE1' ' D' ' 26' ' ' TYR . 10.8 tt -169.95 -26.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 120.715 0.293 . . . . 0.0 110.609 179.764 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 3' ' ' VAL . . . . . 0.414 ' CG2' ' HB2' ' D' ' 28' ' ' PRO . 41.5 t -59.74 -75.31 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.226 -0.171 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.135 -179.593 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -59.39 -33.01 70.69 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.2 0.524 . . . . 0.0 110.799 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 5' ' ' GLN . . . . . 0.427 ' HG2' ' SG ' ' C' ' 11' ' ' CYS . 33.9 tt0 -62.15 -47.58 83.88 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.511 -0.768 . . . . 0.0 112.921 -179.288 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 6' ' ' CYS . . . . . 0.403 ' HB3' ' H2 ' ' C' ' 22' ' ' IPH . 85.9 m -101.36 -27.51 13.12 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 113.665 0.987 . . . . 0.0 113.665 -177.195 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 7' ' ' CYS . . . . . . . . . . . . . 11.1 t -77.58 -1.39 30.51 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.866 -0.334 . . . . 0.0 111.209 -179.201 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 13.7 t -84.03 -42.77 15.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.796 -0.184 . . . . 0.0 111.319 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 9' ' ' SER . . . . . 0.415 ' HA ' ' O ' ' L' ' 2' ' ' VAL . 13.1 p -165.01 26.95 0.06 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.629 0.252 . . . . 0.0 111.677 -179.754 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 10' ' ' ILE . . . . . 0.803 HD13 ' HB3' ' L' ' 3' ' ' ASN . 1.7 mp 69.28 134.4 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 178.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 11' ' ' CYS . . . . . 0.552 ' HB3' ' HG2' ' C' ' 15' ' ' GLN . 97.4 m -92.05 159.0 15.92 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.831 -1.077 . . . . 0.0 109.74 178.427 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 49.3 m -74.28 167.49 21.52 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.654 0.264 . . . . 0.0 111.04 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 8.7 tt -55.98 -51.95 65.89 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.213 -0.449 . . . . 0.0 112.069 -178.478 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -65.2 -24.36 67.34 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.793 0.294 . . . . 0.0 111.793 -179.158 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 15' ' ' GLN . . . . . 0.552 ' HG2' ' HB3' ' C' ' 11' ' ' CYS . 36.8 tp60 -67.16 -38.55 85.65 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.17 0.509 . . . . 0.0 109.806 179.167 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 16' ' ' LEU . . . . . 0.641 ' HB3' HD23 ' D' ' 15' ' ' LEU . 69.2 mt -71.99 -29.71 64.51 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.545 -179.677 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -61.13 -21.62 63.91 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.433 -179.646 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 75.0 m-80 -68.01 -12.72 61.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.85 0.357 . . . . 0.0 111.301 179.738 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 19' ' ' TYR . . . . . 0.42 ' HB2' HD22 ' D' ' 15' ' ' LEU . 51.6 m-85 -109.24 13.26 24.44 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.166 0.508 . . . . 0.0 110.868 -179.197 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 1.1 m -85.67 159.11 19.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.198 179.547 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 43.5 t-20 . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.268 -0.873 . . . . 0.0 109.328 179.358 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 57.4 t80 . . . . . 0 N--CA 1.482 1.132 0 CA-C-O 120.508 0.194 . . . . 0.0 110.568 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 2' ' ' VAL . . . . . 0.438 ' O ' ' HA ' ' G' ' 9' ' ' SER . 34.0 m 46.67 -139.4 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 C-N-CA 124.051 0.94 . . . . 0.0 112.623 -179.11 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 3' ' ' ASN . . . . . 0.815 ' HB3' HD13 ' G' ' 10' ' ' ILE . 14.8 t-20 -160.95 168.94 23.59 Favored 'General case' 0 C--N 1.328 -0.356 0 O-C-N 122.232 -0.293 . . . . 0.0 110.881 -177.364 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -45.71 -37.2 5.59 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 124.243 1.017 . . . . 0.0 110.968 178.031 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 5' ' ' HIS . . . . . 0.569 ' CE1' ' HA ' ' B' ' 17' ' ' LEU . 79.4 t60 -57.21 -18.47 16.01 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 114.791 -1.095 . . . . 0.0 112.905 -179.358 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 6' ' ' LEU . . . . . 0.7 HD21 ' H4 ' ' G' ' 22' ' ' IPH . 13.0 mt -116.32 -47.92 2.73 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 7' ' ' CYS . . . . . . . . . . . . . 49.6 t -62.1 -43.58 98.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.0 -179.05 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.49 -29.54 73.76 Favored Glycine 0 C--N 1.331 0.261 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.537 179.572 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 9' ' ' SER . . . . . 0.489 ' HB3' ' HG2' ' B' ' 13' ' ' GLU . 4.9 m -66.54 -4.21 8.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.769 0.319 . . . . 0.0 111.639 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 10' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -122.93 -15.11 7.47 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 11' ' ' LEU . . . . . 0.491 ' CD2' ' H3 ' ' C' ' 22' ' ' IPH . 27.9 mt -72.92 -17.98 61.44 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 107.813 -1.18 . . . . 0.0 107.813 177.818 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 12' ' ' VAL . . . . . 0.988 HG21 HG21 ' B' ' 12' ' ' VAL . 6.3 m -66.45 -38.77 82.45 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 CA-C-N 114.468 -1.242 . . . . 0.0 110.383 178.285 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 13' ' ' GLU . . . . . 0.468 ' HG2' ' HB3' ' B' ' 9' ' ' SER . 25.5 mt-10 -61.22 -34.61 75.39 Favored 'General case' 0 CA--C 1.519 -0.221 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 179.58 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.04 -50.45 68.39 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.996 178.39 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 15' ' ' LEU . . . . . 0.641 HD23 ' HB3' ' C' ' 16' ' ' LEU . 47.7 mt -61.37 -43.71 98.4 Favored 'General case' 0 C--O 1.226 -0.18 0 CA-C-O 121.68 0.752 . . . . 0.0 109.537 178.592 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 16' ' ' TYR . . . . . 0.553 ' CD2' ' HE2' ' D' ' 24' ' ' PHE . 0.6 OUTLIER -57.22 -47.62 80.84 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 114.273 -1.331 . . . . 0.0 111.723 -179.162 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' D' D ' 17' ' ' LEU . . . . . 0.567 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 1.9 mm? -59.77 -42.2 92.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.049 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 47.1 t -75.71 -33.44 26.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.51 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 19' ' ' CYS . . . . . 0.424 ' HB2' ' O ' ' D' ' 15' ' ' LEU . 0.1 OUTLIER -83.95 2.63 37.83 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -178.518 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.66 -113.41 5.69 Favored Glycine 0 CA--C 1.519 0.282 0 C-N-CA 120.864 -0.684 . . . . 0.0 113.021 179.643 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 -126.17 21.6 7.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.191 0.52 . . . . 0.0 110.445 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 22' ' ' ARG . . . . . . . . . . . . . 35.2 ttm105 -79.51 -42.81 24.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.403 0.62 . . . . 0.0 110.783 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 23' ' ' GLY . . . . . . . . . . . . . . . 109.57 170.86 20.4 Favored Glycine 0 N--CA 1.445 -0.766 0 N-CA-C 110.726 -0.949 . . . . 0.0 110.726 -178.598 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 24' ' ' PHE . . . . . 0.634 ' HZ ' ' HB ' ' D' ' 12' ' ' VAL . 51.2 p90 -154.44 -178.24 7.01 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.348 0.594 . . . . 0.0 111.126 -179.684 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 25' ' ' PHE . . . . . . . . . . . . . 7.6 p90 -122.99 140.62 52.84 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 178.365 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 26' ' ' TYR . . . . . 0.761 ' HE1' HD13 ' C' ' 2' ' ' ILE . 16.4 t80 -133.62 86.61 2.3 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 119.753 -0.779 . . . . 0.0 112.0 -178.663 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 27' ' ' THR . . . . . . . . . . . . . 8.8 m -115.53 83.9 11.54 Favored Pre-proline 0 C--N 1.316 -0.88 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 177.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 28' ' ' PRO . . . . . 0.414 ' HB2' ' CG2' ' C' ' 3' ' ' VAL . 90.1 Cg_endo -79.65 -2.28 12.09 Favored 'Trans proline' 0 N--CA 1.46 -0.494 0 C-N-CA 122.888 2.392 . . . . 0.0 112.65 -177.726 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 57.0 tttm -64.06 103.12 0.56 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.147 179.415 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 6.3 m . . . . . 0 C--O 1.246 0.913 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.431 -179.667 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.571 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' E' E ' 2' ' ' ILE . . . . . 0.753 HD13 ' HE1' ' F' ' 26' ' ' TYR . 11.4 tt -168.88 -26.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 120.835 0.35 . . . . 0.0 110.676 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 3' ' ' VAL . . . . . 0.425 ' CG2' ' HB2' ' F' ' 28' ' ' PRO . 40.2 t -59.25 -76.66 0.03 OUTLIER 'Isoleucine or valine' 0 C--O 1.225 -0.218 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.135 -179.711 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 4' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -57.54 -35.25 70.06 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.23 0.538 . . . . 0.0 110.633 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 5' ' ' GLN . . . . . 0.448 ' HG2' ' SG ' ' E' ' 11' ' ' CYS . 33.4 tt0 -60.08 -47.72 84.71 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 113.337 0.865 . . . . 0.0 113.337 -179.518 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 6' ' ' CYS . . . . . . . . . . . . . 81.3 m -101.54 -27.07 13.31 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 -177.166 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 7' ' ' CYS . . . . . . . . . . . . . 12.1 t -78.26 -1.75 34.52 Favored 'General case' 0 C--N 1.322 -0.623 0 O-C-N 122.101 -0.375 . . . . 0.0 111.261 -178.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 15.1 t -83.72 -43.29 15.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.074 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 9' ' ' SER . . . . . 0.425 ' HA ' ' O ' ' J' ' 2' ' ' VAL . 7.6 p -164.19 26.28 0.07 Allowed 'General case' 0 C--O 1.233 0.197 0 CA-C-O 120.682 0.277 . . . . 0.0 111.523 -179.605 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 10' ' ' ILE . . . . . 0.833 HD13 ' HB3' ' J' ' 3' ' ' ASN . 1.7 mp 70.17 136.7 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 CA-C-O 121.737 0.78 . . . . 0.0 112.736 179.27 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 11' ' ' CYS . . . . . 0.573 ' HB3' ' HG2' ' E' ' 15' ' ' GLN . 96.6 m -95.01 157.47 15.88 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.044 -0.98 . . . . 0.0 109.525 178.451 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 12' ' ' SER . . . . . . . . . . . . . 32.7 m -72.28 168.27 18.67 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.629 0.252 . . . . 0.0 111.067 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 8.7 tt -56.74 -52.8 63.57 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -178.391 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -64.02 -25.7 68.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.676 0.274 . . . . 0.0 111.365 -179.33 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 15' ' ' GLN . . . . . 0.573 ' HG2' ' HB3' ' E' ' 11' ' ' CYS . 38.8 tp60 -65.25 -38.75 91.32 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.153 0.501 . . . . 0.0 109.903 179.076 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 16' ' ' LEU . . . . . 0.626 ' HB3' HD23 ' F' ' 15' ' ' LEU . 71.8 mt -72.17 -29.72 64.28 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.576 -179.647 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 17' ' ' GLU . . . . . . . . . . . . . 76.9 tt0 -60.77 -23.53 65.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.967 0.413 . . . . 0.0 111.35 -179.496 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 18' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -65.93 -13.23 59.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.426 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 19' ' ' TYR . . . . . 0.407 ' HB2' HD22 ' F' ' 15' ' ' LEU . 50.6 m-85 -109.2 13.91 24.14 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.131 0.491 . . . . 0.0 110.851 -179.167 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 20' ' ' CYS . . . . . . . . . . . . . 1.1 m -86.02 159.95 19.45 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.45 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 21' ' ' ASN . . . . . . . . . . . . . 43.2 t-20 . . . . . 0 C--O 1.246 0.891 0 CA-C-O 118.169 -0.92 . . . . 0.0 109.616 179.438 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' F' F ' 1' ' ' PHE . . . . . . . . . . . . . 56.9 t80 . . . . . 0 N--CA 1.483 1.176 0 CA-C-O 120.196 0.046 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' F' F ' 2' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 9' ' ' SER . 34.6 m 47.09 -139.02 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 C-N-CA 124.072 0.949 . . . . 0.0 112.4 -178.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' F' F ' 3' ' ' ASN . . . . . 0.861 ' HB3' HD13 ' A' ' 10' ' ' ILE . 13.8 t-20 -161.13 169.23 22.77 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 122.228 -0.295 . . . . 0.0 110.848 -177.412 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' F' F ' 4' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -46.43 -36.39 6.5 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 124.103 0.961 . . . . 0.0 111.139 177.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 5' ' ' HIS . . . . . 0.554 ' CE1' ' HA ' ' H' ' 17' ' ' LEU . 80.9 t60 -58.29 -16.92 16.11 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 115.01 -0.995 . . . . 0.0 112.902 -179.416 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' F' F ' 6' ' ' LEU . . . . . 0.682 HD21 ' H4 ' ' A' ' 22' ' ' IPH . 12.7 mt -117.65 -48.0 2.6 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 122.217 -0.302 . . . . 0.0 111.793 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' F' F ' 7' ' ' CYS . . . . . 0.403 ' O ' ' HG ' ' F' ' 11' ' ' LEU . 47.1 t -61.74 -44.14 97.49 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.729 0.299 . . . . 0.0 110.905 -179.251 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' F' F ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.08 -30.0 74.36 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.973 -0.632 . . . . 0.0 112.489 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 9' ' ' SER . . . . . 0.5 ' HB3' ' HG2' ' H' ' 13' ' ' GLU . 5.1 m -66.29 -4.64 8.28 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 122.481 0.313 . . . . 0.0 111.704 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' F' F ' 10' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -122.52 -15.22 7.62 Favored 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 111.644 0.239 . . . . 0.0 111.644 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 11' ' ' LEU . . . . . 0.484 ' CD2' ' H3 ' ' E' ' 22' ' ' IPH . 25.8 mt -72.66 -18.15 61.59 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 177.693 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' F' F ' 12' ' ' VAL . . . . . 1.014 HG21 HG21 ' H' ' 12' ' ' VAL . 6.8 m -66.1 -38.73 82.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 CA-C-N 114.735 -1.12 . . . . 0.0 110.566 178.169 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' F' F ' 13' ' ' GLU . . . . . 0.478 ' HG2' ' HB3' ' H' ' 9' ' ' SER . 25.8 mt-10 -61.23 -34.99 76.02 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 179.633 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' F' F ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.7 -51.02 66.89 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.071 178.239 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 15' ' ' LEU . . . . . 0.626 HD23 ' HB3' ' E' ' 16' ' ' LEU . 44.2 mt -60.74 -43.6 97.72 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 121.799 0.809 . . . . 0.0 109.751 178.487 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' F' F ' 16' ' ' TYR . . . . . 0.563 ' CD2' ' HE2' ' F' ' 24' ' ' PHE . 0.6 OUTLIER -57.36 -48.28 79.44 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.178 -1.373 . . . . 0.0 111.71 -179.143 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' F' F ' 17' ' ' LEU . . . . . 0.542 ' HA ' ' CE1' ' H' ' 5' ' ' HIS . 1.9 mm? -58.73 -42.92 89.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.987 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 47.4 t -74.89 -34.85 34.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.612 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 19' ' ' CYS . . . . . 0.426 ' HB2' ' O ' ' F' ' 15' ' ' LEU . 0.1 OUTLIER -83.31 4.29 27.82 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -178.561 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' F' F ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.99 -114.76 6.7 Favored Glycine 0 CA--C 1.519 0.297 0 C-N-CA 120.915 -0.66 . . . . 0.0 112.729 179.576 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 21' ' ' GLU . . . . . . . . . . . . . 79.9 mt-10 -124.8 22.85 8.08 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.117 0.484 . . . . 0.0 110.745 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 22' ' ' ARG . . . . . . . . . . . . . 35.6 ttm105 -80.96 -41.66 22.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.263 0.554 . . . . 0.0 110.719 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 23' ' ' GLY . . . . . . . . . . . . . . . 108.75 170.8 21.01 Favored Glycine 0 N--CA 1.444 -0.819 0 N-CA-C 110.741 -0.944 . . . . 0.0 110.741 -178.632 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 24' ' ' PHE . . . . . 0.65 ' HZ ' ' HB ' ' F' ' 12' ' ' VAL . 51.1 p90 -154.13 -177.79 6.67 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.226 0.536 . . . . 0.0 110.974 -179.525 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' F' F ' 25' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -123.33 140.79 52.65 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 178.144 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 26' ' ' TYR . . . . . 0.753 ' HE1' HD13 ' E' ' 2' ' ' ILE . 17.2 t80 -133.96 85.8 2.23 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 119.519 -0.873 . . . . 0.0 111.977 -178.703 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' F' F ' 27' ' ' THR . . . . . . . . . . . . . 9.8 m -114.62 84.15 9.7 Favored Pre-proline 0 C--N 1.316 -0.85 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 177.756 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 28' ' ' PRO . . . . . 0.425 ' HB2' ' CG2' ' E' ' 3' ' ' VAL . 97.8 Cg_endo -79.94 -1.71 11.61 Favored 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 122.782 2.322 . . . . 0.0 112.823 -177.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' F' F ' 29' ' ' LYS . . . . . . . . . . . . . 55.6 tttm -63.96 106.49 1.04 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.831 179.23 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 30' ' ' THR . . . . . . . . . . . . . 13.2 m . . . . . 0 C--O 1.248 0.98 0 CA-C-O 118.341 -0.838 . . . . 0.0 109.857 -179.313 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' G' G ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.894 0 N-CA-C 111.93 -0.468 . . . . 0.0 111.93 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' G' G ' 2' ' ' ILE . . . . . 0.758 HD13 ' HE1' ' H' ' 26' ' ' TYR . 11.5 tt -168.64 -27.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 120.743 0.306 . . . . 0.0 110.765 179.498 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' G' G ' 3' ' ' VAL . . . . . 0.424 ' CG2' ' HG3' ' H' ' 4' ' ' GLN . 40.8 t -59.2 -75.87 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.519 -0.213 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.081 -179.521 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' G' G ' 4' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -58.22 -34.47 70.45 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.295 0.569 . . . . 0.0 110.93 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 5' ' ' GLN . . . . . 0.432 ' HG2' ' SG ' ' G' ' 11' ' ' CYS . 16.3 tt0 -60.99 -48.35 82.25 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.467 -0.788 . . . . 0.0 112.912 -179.436 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' G' G ' 6' ' ' CYS . . . . . . . . . . . . . 83.0 m -100.43 -26.97 13.68 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 -177.222 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 7' ' ' CYS . . . . . . . . . . . . . 11.0 t -78.37 -2.32 37.68 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.18 -179.062 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 8' ' ' THR . . . . . . . . . . . . . 11.5 t -82.39 -43.73 16.99 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 121.208 -0.197 . . . . 0.0 111.153 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 9' ' ' SER . . . . . 0.438 ' HA ' ' O ' ' D' ' 2' ' ' VAL . 13.4 p -164.11 26.09 0.07 Allowed 'General case' 0 CA--C 1.53 0.206 0 CA-C-O 120.684 0.278 . . . . 0.0 111.733 -179.41 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' G' G ' 10' ' ' ILE . . . . . 0.815 HD13 ' HB3' ' D' ' 3' ' ' ASN . 1.7 mp 70.28 134.95 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 CA-C-O 121.785 0.802 . . . . 0.0 113.102 179.145 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' G' G ' 11' ' ' CYS . . . . . 0.605 ' HB3' ' HG2' ' G' ' 15' ' ' GLN . 99.8 m -92.75 159.55 15.36 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.698 178.535 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' G' G ' 12' ' ' SER . . . . . . . . . . . . . 50.5 m -74.67 168.7 19.3 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.715 0.293 . . . . 0.0 111.017 179.724 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 13' ' ' LEU . . . . . . . . . . . . . 8.6 tt -56.2 -54.09 49.37 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.78 -178.565 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -62.48 -26.02 68.31 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -179.316 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 15' ' ' GLN . . . . . 0.605 ' HG2' ' HB3' ' G' ' 11' ' ' CYS . 33.0 tp60 -65.83 -38.56 89.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.3 0.571 . . . . 0.0 109.85 179.523 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' G' G ' 16' ' ' LEU . . . . . 0.648 ' HB3' HD23 ' H' ' 15' ' ' LEU . 68.5 mt -72.4 -29.89 64.15 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.241 -0.891 . . . . 0.0 111.425 -179.515 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' G' G ' 17' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -60.7 -22.55 64.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.951 0.405 . . . . 0.0 111.3 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 18' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -67.05 -13.21 61.7 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.494 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 19' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 -109.13 13.25 24.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.155 0.502 . . . . 0.0 110.605 -179.074 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 20' ' ' CYS . . . . . . . . . . . . . 1.1 m -85.78 157.82 20.15 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.26 179.672 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 21' ' ' ASN . . . . . . . . . . . . . 43.9 t-20 . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.252 -0.88 . . . . 0.0 109.436 179.355 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' H' H ' 1' ' ' PHE . . . . . . . . . . . . . 56.5 t80 . . . . . 0 N--CA 1.479 1.016 0 CA-C-O 120.383 0.135 . . . . 0.0 110.79 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' H' H ' 2' ' ' VAL . . . . . . . . . . . . . 33.5 m 46.37 -140.69 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 C-N-CA 124.13 0.972 . . . . 0.0 112.494 -178.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' H' H ' 3' ' ' ASN . . . . . 0.827 ' HB3' HD13 ' K' ' 10' ' ' ILE . 14.5 t-20 -159.68 169.36 23.88 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 122.207 -0.308 . . . . 0.0 110.942 -177.335 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' H' H ' 4' ' ' GLN . . . . . 0.424 ' HG3' ' CG2' ' G' ' 3' ' ' VAL . 4.3 tt0 -46.23 -36.64 6.3 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 124.192 0.997 . . . . 0.0 110.961 178.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' H' H ' 5' ' ' HIS . . . . . 0.542 ' CE1' ' HA ' ' F' ' 17' ' ' LEU . 79.5 t60 -57.76 -17.86 18.11 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 114.781 -1.1 . . . . 0.0 112.926 -179.509 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' H' H ' 6' ' ' LEU . . . . . 0.684 HD21 ' H4 ' ' K' ' 22' ' ' IPH . 12.6 mt -116.81 -47.46 2.7 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 179.786 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' H' H ' 7' ' ' CYS . . . . . . . . . . . . . 49.5 t -62.47 -43.58 98.47 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.687 0.28 . . . . 0.0 110.932 -179.04 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' H' H ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.57 -29.28 73.12 Favored Glycine 0 C--N 1.332 0.333 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.527 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' H' H ' 9' ' ' SER . . . . . 0.478 ' HB3' ' HG2' ' F' ' 13' ' ' GLU . 4.4 m -66.65 -4.57 9.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.738 0.304 . . . . 0.0 111.725 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' H' H ' 10' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -122.45 -15.0 7.71 Favored 'General case' 0 CA--C 1.514 -0.412 0 C-N-CA 120.98 -0.288 . . . . 0.0 111.683 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' H' H ' 11' ' ' LEU . . . . . 0.491 ' CD2' ' H3 ' ' G' ' 22' ' ' IPH . 28.4 mt -72.78 -17.99 61.53 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 177.796 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' H' H ' 12' ' ' VAL . . . . . 1.014 HG21 HG21 ' F' ' 12' ' ' VAL . 6.6 m -66.32 -39.37 84.02 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.403 0 CA-C-N 114.612 -1.177 . . . . 0.0 110.337 178.193 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' H' H ' 13' ' ' GLU . . . . . 0.5 ' HG2' ' HB3' ' F' ' 9' ' ' SER . 25.8 mt-10 -60.56 -35.07 75.15 Favored 'General case' 0 CA--C 1.519 -0.215 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 179.694 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' H' H ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.71 -51.09 66.56 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.274 -0.875 . . . . 0.0 110.042 178.299 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' H' H ' 15' ' ' LEU . . . . . 0.648 HD23 ' HB3' ' G' ' 16' ' ' LEU . 45.0 mt -60.87 -43.55 98.24 Favored 'General case' 0 C--O 1.226 -0.156 0 CA-C-O 121.708 0.766 . . . . 0.0 109.63 178.581 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' H' H ' 16' ' ' TYR . . . . . 0.562 ' CD2' ' HE2' ' H' ' 24' ' ' PHE . 0.6 OUTLIER -57.67 -47.62 81.78 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.386 -1.279 . . . . 0.0 111.702 -179.174 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' H' H ' 17' ' ' LEU . . . . . 0.554 ' HA ' ' CE1' ' F' ' 5' ' ' HIS . 1.9 mm? -59.43 -42.27 91.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.017 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 44.0 t -75.52 -33.67 27.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.394 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' H' H ' 19' ' ' CYS . . . . . 0.442 ' HB2' ' O ' ' H' ' 15' ' ' LEU . 0.1 OUTLIER -84.49 4.24 32.71 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 112.597 0.591 . . . . 0.0 112.597 -178.469 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' H' H ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.72 -115.05 6.95 Favored Glycine 0 CA--C 1.52 0.377 0 C-N-CA 120.978 -0.63 . . . . 0.0 112.874 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' H' H ' 21' ' ' GLU . . . . . . . . . . . . . 83.4 mt-10 -124.67 23.42 8.04 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.04 0.448 . . . . 0.0 110.443 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' H' H ' 22' ' ' ARG . . . . . . . . . . . . . 36.1 ttm105 -81.31 -43.16 19.52 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.238 0.542 . . . . 0.0 110.69 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' H' H ' 23' ' ' GLY . . . . . . . . . . . . . . . 109.91 171.0 20.15 Favored Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -178.678 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' H' H ' 24' ' ' PHE . . . . . 0.621 ' HZ ' ' HB ' ' H' ' 12' ' ' VAL . 51.1 p90 -154.35 -177.76 6.67 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.284 0.564 . . . . 0.0 110.922 -179.419 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' H' H ' 25' ' ' PHE . . . . . . . . . . . . . 7.3 p90 -123.6 140.23 53.21 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 178.259 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' H' H ' 26' ' ' TYR . . . . . 0.758 ' HE1' HD13 ' G' ' 2' ' ' ILE . 17.8 t80 -133.43 85.96 2.25 Favored 'General case' 0 N--CA 1.446 -0.639 0 C-N-CA 119.711 -0.796 . . . . 0.0 112.031 -178.706 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' H' H ' 27' ' ' THR . . . . . . . . . . . . . 11.4 m -114.67 84.58 10.27 Favored Pre-proline 0 C--N 1.318 -0.788 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 177.604 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' H' H ' 28' ' ' PRO . . . . . 0.413 ' HB2' ' CG2' ' G' ' 3' ' ' VAL . 85.7 Cg_endo -79.81 -3.28 12.72 Favored 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 122.659 2.24 . . . . 0.0 112.953 -177.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' H' H ' 29' ' ' LYS . . . . . . . . . . . . . 55.6 tttm -62.23 105.19 0.57 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.257 179.392 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' H' H ' 30' ' ' THR . . . . . . . . . . . . . 8.8 m . . . . . 0 C--O 1.256 1.413 0 CA-C-O 118.632 -0.699 . . . . 0.0 109.682 -179.553 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' I' I ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.745 0 N-CA-C 112.177 -0.369 . . . . 0.0 112.177 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' I' I ' 2' ' ' ILE . . . . . 0.772 HD13 ' HE1' ' J' ' 26' ' ' TYR . 11.6 tt -166.58 -26.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-O 120.88 0.371 . . . . 0.0 111.115 179.52 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' I' I ' 3' ' ' VAL . . . . . 0.402 ' CG2' ' HB2' ' J' ' 28' ' ' PRO . 38.3 t -59.01 -76.27 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.224 -0.26 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.214 -179.6 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' I' I ' 4' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -57.77 -33.96 69.08 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.372 0.606 . . . . 0.0 111.201 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 5' ' ' GLN . . . . . 0.431 ' HG2' ' SG ' ' I' ' 11' ' ' CYS . 16.8 tt0 -62.18 -47.15 85.75 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.414 -0.812 . . . . 0.0 113.01 -179.55 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' I' I ' 6' ' ' CYS . . . . . 0.401 ' HB3' ' H2 ' ' I' ' 22' ' ' IPH . 81.5 m -101.55 -26.73 13.44 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 113.603 0.964 . . . . 0.0 113.603 -177.33 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' I' I ' 7' ' ' CYS . . . . . . . . . . . . . 11.4 t -78.47 -2.26 37.66 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 122.085 -0.385 . . . . 0.0 111.154 -179.021 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 8' ' ' THR . . . . . . . . . . . . . 13.3 t -82.95 -43.53 16.35 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 122.382 -0.199 . . . . 0.0 111.081 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 9' ' ' SER . . . . . 0.415 ' HA ' ' O ' ' B' ' 2' ' ' VAL . 23.1 p -164.01 26.14 0.07 Allowed 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 111.608 0.225 . . . . 0.0 111.608 -179.723 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' I' I ' 10' ' ' ILE . . . . . 0.801 HD13 ' HB3' ' B' ' 3' ' ' ASN . 1.7 mp 70.63 136.24 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.574 0 CA-C-O 121.987 0.898 . . . . 0.0 112.869 179.007 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' I' I ' 11' ' ' CYS . . . . . 0.582 ' HB3' ' HG2' ' I' ' 15' ' ' GLN . 97.1 m -95.06 157.5 15.87 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.026 -0.988 . . . . 0.0 109.51 178.649 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' I' I ' 12' ' ' SER . . . . . . . . . . . . . 50.7 m -72.55 166.82 21.93 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.882 0.372 . . . . 0.0 111.027 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 13' ' ' LEU . . . . . . . . . . . . . 8.5 tt -55.16 -53.05 60.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.92 -178.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -63.97 -24.59 67.78 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.642 0.238 . . . . 0.0 111.642 -179.215 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 15' ' ' GLN . . . . . 0.582 ' HG2' ' HB3' ' I' ' 11' ' ' CYS . 34.5 tp60 -67.12 -38.05 84.94 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.17 0.509 . . . . 0.0 109.941 179.208 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' I' I ' 16' ' ' LEU . . . . . 0.666 ' HB3' HD23 ' J' ' 15' ' ' LEU . 65.7 mt -72.7 -29.57 63.5 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.432 -179.679 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' I' I ' 17' ' ' GLU . . . . . . . . . . . . . 77.4 tt0 -61.05 -21.84 64.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.779 0.323 . . . . 0.0 111.322 -179.68 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 18' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -67.36 -13.58 62.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.749 0.309 . . . . 0.0 111.279 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 19' ' ' TYR . . . . . 0.43 ' HB2' HD22 ' J' ' 15' ' ' LEU . 52.1 m-85 -108.72 13.98 24.7 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.119 0.485 . . . . 0.0 110.745 -179.084 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' I' I ' 20' ' ' CYS . . . . . . . . . . . . . 1.1 m -86.89 157.43 19.53 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.306 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 21' ' ' ASN . . . . . . . . . . . . . 45.3 t-20 . . . . . 0 C--O 1.247 0.925 0 CA-C-O 118.379 -0.82 . . . . 0.0 109.465 179.486 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' J' J ' 1' ' ' PHE . . . . . . . . . . . . . 55.7 t80 . . . . . 0 N--CA 1.482 1.146 0 CA-C-O 120.378 0.132 . . . . 0.0 110.665 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' J' J ' 2' ' ' VAL . . . . . 0.425 ' O ' ' HA ' ' E' ' 9' ' ' SER . 33.9 m 47.08 -139.33 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 C-N-CA 124.12 0.968 . . . . 0.0 112.484 -178.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' J' J ' 3' ' ' ASN . . . . . 0.833 ' HB3' HD13 ' E' ' 10' ' ' ILE . 14.0 t-20 -161.71 168.67 22.87 Favored 'General case' 0 C--O 1.237 0.419 0 O-C-N 122.236 -0.29 . . . . 0.0 110.734 -177.373 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' J' J ' 4' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -45.59 -36.54 4.78 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 124.604 1.161 . . . . 0.0 111.092 177.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' J' J ' 5' ' ' HIS . . . . . 0.595 ' CE1' ' HA ' ' L' ' 17' ' ' LEU . 80.7 t60 -58.5 -17.5 21.74 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 114.796 -1.093 . . . . 0.0 112.861 -179.224 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' J' J ' 6' ' ' LEU . . . . . 0.682 HD21 ' H4 ' ' E' ' 22' ' ' IPH . 12.9 mt -116.92 -47.69 2.68 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' J' J ' 7' ' ' CYS . . . . . . . . . . . . . 47.9 t -62.41 -43.73 98.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.581 0.229 . . . . 0.0 110.872 -178.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' J' J ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.58 -29.48 73.74 Favored Glycine 0 C--N 1.33 0.234 0 C-N-CA 120.993 -0.623 . . . . 0.0 112.512 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' J' J ' 9' ' ' SER . . . . . 0.482 ' HB3' ' HG2' ' L' ' 13' ' ' GLU . 4.7 m -66.55 -4.39 8.42 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 122.362 0.265 . . . . 0.0 111.679 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' J' J ' 10' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -122.72 -15.0 7.6 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 121.036 -0.266 . . . . 0.0 111.662 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' J' J ' 11' ' ' LEU . . . . . 0.48 ' CD2' ' H3 ' ' I' ' 22' ' ' IPH . 27.4 mt -72.8 -17.74 61.54 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 177.816 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' J' J ' 12' ' ' VAL . . . . . 0.976 HG21 HG21 ' L' ' 12' ' ' VAL . 6.4 m -66.71 -38.78 82.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 CA-C-N 114.481 -1.236 . . . . 0.0 110.372 178.262 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' J' J ' 13' ' ' GLU . . . . . 0.486 ' HG2' ' HB3' ' L' ' 9' ' ' SER . 25.7 mt-10 -61.45 -34.42 75.39 Favored 'General case' 0 CA--C 1.52 -0.21 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 179.732 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' J' J ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.42 -50.47 67.43 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.984 178.476 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' J' J ' 15' ' ' LEU . . . . . 0.666 HD23 ' HB3' ' I' ' 16' ' ' LEU . 47.1 mt -61.2 -43.74 98.4 Favored 'General case' 0 C--O 1.225 -0.23 0 CA-C-O 121.817 0.818 . . . . 0.0 109.651 178.473 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' J' J ' 16' ' ' TYR . . . . . 0.557 ' CD2' ' HE2' ' J' ' 24' ' ' PHE . 0.7 OUTLIER -56.91 -48.19 78.82 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.209 -1.36 . . . . 0.0 111.811 -179.264 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' J' J ' 17' ' ' LEU . . . . . 0.569 ' HA ' ' CE1' ' L' ' 5' ' ' HIS . 1.9 mm? -59.69 -41.29 90.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.932 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 48.0 t -76.41 -33.61 23.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.344 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' J' J ' 19' ' ' CYS . . . . . 0.428 ' HB2' ' O ' ' J' ' 15' ' ' LEU . 0.1 OUTLIER -84.22 4.22 31.76 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 -178.649 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' J' J ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.84 -114.19 6.08 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.949 -0.644 . . . . 0.0 112.862 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' J' J ' 21' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -126.27 25.39 6.64 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.203 0.525 . . . . 0.0 110.358 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' J' J ' 22' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' J' ' 22' ' ' ARG . 34.4 ttm105 -83.36 -41.68 17.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.475 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' J' J ' 23' ' ' GLY . . . . . . . . . . . . . . . 108.94 171.04 20.88 Favored Glycine 0 N--CA 1.447 -0.602 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 -178.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' J' J ' 24' ' ' PHE . . . . . 0.642 ' HZ ' ' HB ' ' J' ' 12' ' ' VAL . 51.2 p90 -154.24 -177.6 6.55 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.203 0.525 . . . . 0.0 110.897 -179.6 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' J' J ' 25' ' ' PHE . . . . . . . . . . . . . 7.5 p90 -123.88 139.9 53.51 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 178.42 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' J' J ' 26' ' ' TYR . . . . . 0.772 ' HE1' HD13 ' I' ' 2' ' ' ILE . 17.1 t80 -133.12 86.47 2.31 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 119.683 -0.807 . . . . 0.0 112.084 -178.719 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' J' J ' 27' ' ' THR . . . . . . . . . . . . . 11.3 m -115.62 84.19 12.15 Favored Pre-proline 0 C--N 1.317 -0.846 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 177.717 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' J' J ' 28' ' ' PRO . . . . . 0.402 ' HB2' ' CG2' ' I' ' 3' ' ' VAL . 77.2 Cg_endo -79.43 -3.28 12.89 Favored 'Trans proline' 0 C--O 1.236 0.376 0 C-N-CA 122.902 2.402 . . . . 0.0 112.884 -177.838 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' J' J ' 29' ' ' LYS . . . . . . . . . . . . . 53.9 tttm -62.65 102.65 0.35 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.265 0.555 . . . . 0.0 110.168 179.584 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' J' J ' 30' ' ' THR . . . . . . . . . . . . . 7.6 m . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.481 -0.771 . . . . 0.0 109.705 -179.718 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.474 0 N-CA-C 111.78 -0.528 . . . . 0.0 111.78 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' K' K ' 2' ' ' ILE . . . . . 0.774 HD13 ' HE1' ' L' ' 26' ' ' TYR . 11.6 tt -167.18 -26.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 O-C-N 122.495 -0.415 . . . . 0.0 110.938 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' K' K ' 3' ' ' VAL . . . . . 0.409 ' CG2' ' HB2' ' L' ' 28' ' ' PRO . 40.8 t -59.0 -76.59 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.032 -179.677 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' K' K ' 4' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -57.76 -34.37 69.48 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.032 0.444 . . . . 0.0 110.849 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' K' K ' 5' ' ' GLN . . . . . 0.425 ' HG2' ' SG ' ' K' ' 11' ' ' CYS . 32.4 tt0 -61.67 -47.54 84.89 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 -179.374 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' K' K ' 6' ' ' CYS . . . . . . . . . . . . . 82.1 m -101.32 -26.98 13.43 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 113.548 0.944 . . . . 0.0 113.548 -177.419 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' K' K ' 7' ' ' CYS . . . . . . . . . . . . . 11.7 t -78.39 -1.73 34.88 Favored 'General case' 0 C--N 1.321 -0.664 0 O-C-N 121.879 -0.513 . . . . 0.0 111.274 -178.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' K' K ' 8' ' ' THR . . . . . . . . . . . . . 13.5 t -83.0 -44.44 15.24 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.631 -0.259 . . . . 0.0 110.979 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' K' K ' 9' ' ' SER . . . . . . . . . . . . . 11.9 p -163.3 26.18 0.09 Allowed 'General case' 0 C--O 1.232 0.173 0 CA-C-O 120.555 0.217 . . . . 0.0 111.509 -179.575 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' K' K ' 10' ' ' ILE . . . . . 0.827 HD13 ' HB3' ' H' ' 3' ' ' ASN . 1.7 mp 70.56 136.24 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 CA-C-O 121.86 0.838 . . . . 0.0 112.871 179.132 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' K' K ' 11' ' ' CYS . . . . . 0.588 ' HB3' ' HG2' ' K' ' 15' ' ' GLN . 98.4 m -94.69 157.58 15.89 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.087 -0.961 . . . . 0.0 109.592 178.452 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' K' K ' 12' ' ' SER . . . . . . . . . . . . . 46.9 m -71.89 168.01 18.83 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.72 0.295 . . . . 0.0 111.236 179.73 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' K' K ' 13' ' ' LEU . . . . . . . . . . . . . 8.5 tt -56.61 -52.92 63.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.851 -178.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -63.95 -25.08 67.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.647 0.26 . . . . 0.0 111.686 -179.279 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' K' K ' 15' ' ' GLN . . . . . 0.588 ' HG2' ' HB3' ' K' ' 11' ' ' CYS . 34.0 tp60 -66.83 -38.13 85.84 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.217 0.532 . . . . 0.0 109.819 179.584 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' K' K ' 16' ' ' LEU . . . . . 0.673 ' HB3' HD23 ' L' ' 15' ' ' LEU . 67.5 mt -72.57 -29.55 63.63 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.363 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' K' K ' 17' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -61.21 -21.52 63.91 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 121.014 0.435 . . . . 0.0 111.542 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' K' K ' 18' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -67.47 -14.65 63.12 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.939 0.4 . . . . 0.0 111.207 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' K' K ' 19' ' ' TYR . . . . . 0.435 ' HB2' HD22 ' L' ' 15' ' ' LEU . 50.4 m-85 -107.42 13.42 26.97 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.025 0.44 . . . . 0.0 110.984 -179.099 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' K' K ' 20' ' ' CYS . . . . . . . . . . . . . 1.1 m -85.6 158.71 20.04 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.323 179.47 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' K' K ' 21' ' ' ASN . . . . . . . . . . . . . 44.3 t-20 . . . . . 0 C--O 1.247 0.958 0 CA-C-O 118.224 -0.893 . . . . 0.0 109.345 179.437 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' L' L ' 1' ' ' PHE . . . . . . . . . . . . . 57.2 t80 . . . . . 0 N--CA 1.483 1.191 0 CA-C-O 120.301 0.096 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' L' L ' 2' ' ' VAL . . . . . 0.415 ' O ' ' HA ' ' C' ' 9' ' ' SER . 33.6 m 46.51 -139.6 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 C-N-CA 123.92 0.888 . . . . 0.0 112.536 -179.027 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' L' L ' 3' ' ' ASN . . . . . 0.803 ' HB3' HD13 ' C' ' 10' ' ' ILE . 16.2 t-20 -161.3 168.53 23.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 122.259 -0.275 . . . . 0.0 110.942 -177.388 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' L' L ' 4' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -45.26 -36.49 4.01 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 124.407 1.083 . . . . 0.0 111.082 178.02 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' L' L ' 5' ' ' HIS . . . . . 0.569 ' CE1' ' HA ' ' J' ' 17' ' ' LEU . 80.6 t60 -58.08 -17.92 21.3 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 114.817 -1.083 . . . . 0.0 112.991 -179.507 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' L' L ' 6' ' ' LEU . . . . . 0.696 HD21 ' H4 ' ' C' ' 22' ' ' IPH . 13.0 mt -116.74 -48.12 2.68 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.038 0.384 . . . . 0.0 112.038 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' L' L ' 7' ' ' CYS . . . . . 0.402 ' O ' ' HG ' ' L' ' 11' ' ' LEU . 46.8 t -61.81 -44.17 97.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.643 0.258 . . . . 0.0 110.876 -179.071 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' L' L ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.0 -29.2 71.94 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.617 179.63 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' L' L ' 9' ' ' SER . . . . . 0.486 ' HB3' ' HG2' ' J' ' 13' ' ' GLU . 5.3 m -66.77 -4.57 9.41 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 122.392 0.277 . . . . 0.0 111.656 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' L' L ' 10' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -122.75 -14.54 7.68 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.651 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' L' L ' 11' ' ' LEU . . . . . 0.482 ' CD2' ' H3 ' ' K' ' 22' ' ' IPH . 26.5 mt -73.51 -17.49 61.21 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 177.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' L' L ' 12' ' ' VAL . . . . . 0.976 HG21 HG21 ' J' ' 12' ' ' VAL . 6.2 m -66.77 -38.9 82.45 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 CA-C-N 114.682 -1.145 . . . . 0.0 110.342 178.313 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' L' L ' 13' ' ' GLU . . . . . 0.482 ' HG2' ' HB3' ' J' ' 9' ' ' SER . 25.7 mt-10 -61.01 -34.74 75.29 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 179.698 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' L' L ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.27 -50.55 67.49 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.058 178.412 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' L' L ' 15' ' ' LEU . . . . . 0.673 HD23 ' HB3' ' K' ' 16' ' ' LEU . 44.7 mt -61.28 -43.73 98.4 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-O 121.776 0.798 . . . . 0.0 109.555 178.493 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' L' L ' 16' ' ' TYR . . . . . 0.566 ' CD2' ' HE2' ' L' ' 24' ' ' PHE . 0.6 OUTLIER -57.02 -47.86 79.87 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.418 -1.264 . . . . 0.0 111.841 -179.265 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' L' L ' 17' ' ' LEU . . . . . 0.595 ' HA ' ' CE1' ' J' ' 5' ' ' HIS . 1.9 mm? -59.54 -41.93 91.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.933 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 45.7 t -76.24 -32.71 22.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.467 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' L' L ' 19' ' ' CYS . . . . . 0.443 ' HB2' ' O ' ' L' ' 15' ' ' LEU . 0.1 OUTLIER -85.33 4.39 35.37 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -178.64 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' L' L ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.57 -114.76 6.59 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.971 -0.633 . . . . 0.0 112.776 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' L' L ' 21' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -125.18 24.54 7.42 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.023 0.44 . . . . 0.0 110.407 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' L' L ' 22' ' ' ARG . . . . . . . . . . . . . 34.4 ttm105 -82.0 -42.33 19.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.343 0.592 . . . . 0.0 110.453 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' L' L ' 23' ' ' GLY . . . . . . . . . . . . . . . 109.22 170.83 20.65 Favored Glycine 0 N--CA 1.443 -0.841 0 N-CA-C 110.596 -1.001 . . . . 0.0 110.596 -178.736 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' L' L ' 24' ' ' PHE . . . . . 0.642 ' HZ ' ' HB ' ' L' ' 12' ' ' VAL . 51.2 p90 -153.96 -177.38 6.36 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.325 0.583 . . . . 0.0 110.997 -179.628 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' L' L ' 25' ' ' PHE . . . . . . . . . . . . . 7.4 p90 -123.93 140.08 53.33 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 178.328 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' L' L ' 26' ' ' TYR . . . . . 0.774 ' HE1' HD13 ' K' ' 2' ' ' ILE . 17.6 t80 -133.38 85.94 2.25 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 119.674 -0.81 . . . . 0.0 112.066 -178.537 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' L' L ' 27' ' ' THR . . . . . . . . . . . . . 10.0 m -114.81 84.81 10.81 Favored Pre-proline 0 C--N 1.316 -0.857 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 177.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' L' L ' 28' ' ' PRO . . . . . 0.409 ' HB2' ' CG2' ' K' ' 3' ' ' VAL . 71.6 Cg_endo -80.34 -2.15 11.8 Favored 'Trans proline' 0 N--CA 1.461 -0.426 0 C-N-CA 122.872 2.382 . . . . 0.0 112.803 -177.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' L' L ' 29' ' ' LYS . . . . . . . . . . . . . 55.1 tttm -64.0 103.19 0.56 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.399 0.619 . . . . 0.0 110.335 179.412 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' L' L ' 30' ' ' THR . . . . . . . . . . . . . 7.0 m . . . . . 0 C--O 1.249 1.051 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.477 -179.742 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 22' ' ' IPH . . . . . 0.682 ' H4 ' HD21 ' F' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 22' ' ' IPH . . . . . 0.696 ' H4 ' HD21 ' L' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 22' ' ' IPH . . . . . 0.682 ' H4 ' HD21 ' J' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 22' ' ' IPH . . . . . 0.7 ' H4 ' HD21 ' D' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 22' ' ' IPH . . . . . 0.693 ' H4 ' HD21 ' B' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' K' K ' 22' ' ' IPH . . . . . 0.684 ' H4 ' HD21 ' H' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.96 0 N-CA-C 111.631 -0.588 . . . . 0.0 111.631 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.6 tt -67.72 -37.57 78.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.649 0.261 . . . . 0.0 110.732 -179.299 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.584 ' O ' ' HB3' ' A' ' 7' ' ' CYS . 87.5 t -73.06 -45.09 55.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.928 0.87 . . . . 0.0 109.24 178.55 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -59.67 -29.49 68.11 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 114.57 -1.195 . . . . 0.0 111.544 179.43 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -101.35 -46.86 4.88 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 -177.596 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.492 ' HB3' ' HB2' ' A' ' 11' ' ' CYS . 39.6 m -108.05 8.41 28.22 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 -175.604 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.761 ' HB2' HD11 ' B' ' 11' ' ' LEU . 8.6 t -111.22 -13.56 13.97 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 121.514 0.673 . . . . 0.0 110.042 178.496 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.1 t -75.05 -14.99 60.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.317 0.58 . . . . 0.0 109.673 178.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.0 t 179.57 169.8 1.09 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 107.068 -1.456 . . . . 0.0 107.068 179.085 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.482 HG12 ' HB3' ' F' ' 5' ' ' HIS . 1.6 mp -62.66 120.36 8.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.861 0.838 . . . . 0.0 110.866 -179.29 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.492 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 2.8 t -80.59 160.77 25.02 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.257 -1.338 . . . . 0.0 110.596 -178.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.556 ' HB2' ' HB2' ' A' ' 15' ' ' GLN . 7.3 m -72.49 141.27 48.56 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.112 179.523 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.3 tt -58.21 -47.55 83.13 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 123.419 0.449 . . . . 0.0 110.99 -179.397 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -69.12 -25.18 64.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.435 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.556 ' HB2' ' HB2' ' A' ' 12' ' ' SER . 37.2 tt0 -72.61 -37.34 68.11 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.162 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.511 HD13 ' HB1' ' B' ' 14' ' ' ALA . 75.6 mt -73.63 -25.35 60.26 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.087 178.742 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -65.96 -25.04 66.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.632 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -78.11 -4.07 45.55 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.888 179.671 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 8.5 m-30 -89.59 -97.17 0.1 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.437 179.563 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.47 ' HB3' ' H ' ' A' ' 21' ' ' ASN . 52.3 m 55.44 -138.06 1.09 Allowed 'General case' 0 C--O 1.233 0.205 0 O-C-N 123.241 0.338 . . . . 0.0 110.879 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.731 ' HB2' ' HA ' ' B' ' 24' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--O 1.248 1.003 0 CA-C-O 117.921 -1.038 . . . . 0.0 109.268 179.411 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 5.6 p90 . . . . . 0 N--CA 1.481 1.117 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.482 HG11 HD12 ' B' ' 6' ' ' LEU . 33.1 m -118.59 -156.2 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.8 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 28.1 t30 -143.74 -177.27 5.33 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.998 0.428 . . . . 0.0 111.137 -178.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -43.13 -39.9 3.01 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 114.562 -1.199 . . . . 0.0 112.61 179.301 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' HIS . . . . . 0.479 ' HB3' HG12 ' I' ' 10' ' ' ILE . 10.6 t60 -49.69 -47.26 50.41 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -179.509 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.482 HD12 HG11 ' B' ' 2' ' ' VAL . 43.2 mt -86.6 -24.68 25.29 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.412 -178.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 43.7 t -68.26 -46.34 70.69 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 177.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' GLY . . . . . 0.478 ' HA2' ' HG ' ' B' ' 11' ' ' LEU . . . -67.62 -20.33 71.89 Favored Glycine 0 N--CA 1.449 -0.462 0 CA-C-N 115.42 -0.809 . . . . 0.0 112.728 179.253 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 9' ' ' SER . . . . . 0.459 ' HB3' ' O ' ' B' ' 6' ' ' LEU . 2.0 t -60.98 -19.11 60.74 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.466 0.651 . . . . 0.0 109.729 178.463 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -109.99 -20.69 12.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.851 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.997 ' HA ' ' H3 ' ' A' ' 22' ' ' IPH . 73.4 mt -66.35 -30.86 71.34 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 178.708 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.484 ' O ' ' HB2' ' B' ' 16' ' ' TYR . 20.4 m -67.35 -33.27 61.53 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.121 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.334 178.805 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 74.4 mt-10 -57.3 -53.94 52.41 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-O 121.408 0.623 . . . . 0.0 110.167 179.446 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.511 ' HB1' HD13 ' A' ' 16' ' ' LEU . . . -56.05 -56.12 24.68 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.879 -1.055 . . . . 0.0 111.878 -179.51 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 89.7 mt -55.17 -46.33 75.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.158 0.504 . . . . 0.0 111.637 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 16' ' ' TYR . . . . . 0.566 ' HE2' ' HE2' ' D' ' 26' ' ' TYR . 0.2 OUTLIER -62.15 -54.19 44.65 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.995 -178.745 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.422 HD13 ' NE2' ' D' ' 5' ' ' HIS . 4.3 mm? -60.97 -46.12 92.02 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 -178.809 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 99.1 t -66.12 -40.23 86.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 -179.238 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -76.29 -23.57 54.38 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.759 -179.182 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.11 -132.49 11.12 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.425 179.424 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.503 ' OE2' ' HB2' ' D' ' 5' ' ' HIS . 26.9 mm-40 -88.34 49.55 1.81 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.441 0.639 . . . . 0.0 109.702 179.331 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -125.3 -177.2 3.8 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.457 179.681 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 23' ' ' GLY . . . . . 0.809 ' HA2' ' HD2' ' D' ' 28' ' ' PRO . . . -113.27 175.69 16.77 Favored Glycine 0 N--CA 1.44 -1.045 0 C-N-CA 120.324 -0.941 . . . . 0.0 112.52 179.622 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 24' ' ' PHE . . . . . 0.731 ' HA ' ' HB2' ' A' ' 21' ' ' ASN . 5.7 p90 -151.34 141.54 22.28 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-O 121.488 0.661 . . . . 0.0 111.017 179.22 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 25' ' ' PHE . . . . . 0.487 ' HA ' ' HA ' ' D' ' 25' ' ' PHE . 11.0 p90 -99.12 101.32 12.63 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 106.926 -1.509 . . . . 0.0 106.926 177.432 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.573 ' HE2' ' HE2' ' D' ' 16' ' ' TYR . 12.0 t80 -107.14 102.96 12.25 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.45 -177.406 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 27' ' ' THR . . . . . 0.696 ' HA ' ' HA3' ' D' ' 23' ' ' GLY . 0.5 OUTLIER -114.34 82.29 7.35 Favored Pre-proline 0 C--N 1.321 -0.662 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.441 -179.029 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 28' ' ' PRO . . . . . 0.808 ' HD2' ' HA2' ' D' ' 23' ' ' GLY . 48.9 Cg_endo -70.48 82.3 0.91 Allowed 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.522 2.148 . . . . 0.0 110.452 178.638 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -134.05 149.21 51.15 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.597 -178.248 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 22.5 m . . . . . 0 C--O 1.254 1.29 0 CA-C-O 118.22 -0.895 . . . . 0.0 108.974 178.856 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.736 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 14.5 tt -63.89 -39.96 87.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.838 0.319 . . . . 0.0 111.09 -179.512 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 3' ' ' VAL . . . . . 0.589 ' O ' ' HB3' ' C' ' 7' ' ' CYS . 94.2 t -71.16 -44.63 73.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.722 0.772 . . . . 0.0 109.436 178.602 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -59.72 -30.19 68.64 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 114.644 -1.162 . . . . 0.0 111.688 179.601 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -100.82 -46.86 5.0 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 -177.613 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 6' ' ' CYS . . . . . 0.492 ' HB3' ' HB2' ' C' ' 11' ' ' CYS . 40.5 m -107.65 8.6 29.16 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 115.017 1.488 . . . . 0.0 115.017 -175.63 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 7' ' ' CYS . . . . . 0.761 ' HB2' HD11 ' D' ' 11' ' ' LEU . 8.6 t -111.28 -13.91 13.88 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 118.737 0.699 . . . . 0.0 110.139 178.693 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 10.3 t -75.4 -13.43 60.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.308 0.575 . . . . 0.0 109.78 178.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 25.9 t 178.29 169.28 0.79 Allowed 'General case' 0 CA--C 1.513 -0.47 0 N-CA-C 107.165 -1.42 . . . . 0.0 107.165 179.168 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 10' ' ' ILE . . . . . 0.478 HG12 ' HB3' ' L' ' 5' ' ' HIS . 1.6 mp -62.25 121.5 10.92 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.715 0 CA-C-O 121.965 0.888 . . . . 0.0 110.644 -179.399 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 11' ' ' CYS . . . . . 0.492 ' HB2' ' HB3' ' C' ' 6' ' ' CYS . 2.7 t -82.12 159.99 23.23 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 114.349 -1.296 . . . . 0.0 110.535 -178.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 12' ' ' SER . . . . . 0.576 ' HB2' ' HB2' ' C' ' 15' ' ' GLN . 6.8 m -71.37 140.9 50.34 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.304 179.595 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 10.3 tt -57.78 -47.37 82.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.991 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -68.68 -26.12 65.14 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.481 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 15' ' ' GLN . . . . . 0.576 ' HB2' ' HB2' ' C' ' 12' ' ' SER . 37.2 tt0 -71.14 -39.5 71.93 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 179.048 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 16' ' ' LEU . . . . . 0.519 HD13 ' HB1' ' D' ' 14' ' ' ALA . 73.8 mt -71.61 -25.66 62.26 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.092 178.625 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -66.44 -22.81 66.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.588 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -81.31 -0.65 41.92 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.786 179.578 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -92.85 -96.68 0.14 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.286 179.382 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 20' ' ' CYS . . . . . 0.46 ' HB3' ' H ' ' C' ' 21' ' ' ASN . 53.1 m 55.08 -138.42 1.08 Allowed 'General case' 0 N--CA 1.465 0.308 0 O-C-N 123.18 0.3 . . . . 0.0 111.127 179.765 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 21' ' ' ASN . . . . . 0.714 ' HB2' ' HA ' ' D' ' 24' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--O 1.251 1.134 0 CA-C-O 118.48 -0.771 . . . . 0.0 109.14 179.327 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 5.7 p90 . . . . . 0 N--CA 1.48 1.072 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 2' ' ' VAL . . . . . 0.469 HG11 HD12 ' D' ' 6' ' ' LEU . 32.7 m -119.28 -156.94 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.835 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 3' ' ' ASN . . . . . . . . . . . . . 25.7 t30 -142.53 -177.14 5.14 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.842 0.353 . . . . 0.0 111.228 -178.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 4' ' ' GLN . . . . . 0.409 ' CD ' ' HB2' ' D' ' 28' ' ' PRO . 24.3 tt0 -43.17 -40.25 3.23 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 124.552 1.141 . . . . 0.0 112.301 179.34 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 5' ' ' HIS . . . . . 0.503 ' HB2' ' OE2' ' B' ' 21' ' ' GLU . 10.5 t60 -49.05 -47.68 44.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 112.028 -179.394 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 6' ' ' LEU . . . . . 0.47 ' O ' ' HB3' ' D' ' 9' ' ' SER . 47.3 mt -86.53 -24.62 25.44 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.504 -178.761 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 7' ' ' CYS . . . . . . . . . . . . . 41.6 t -68.32 -45.94 71.56 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 177.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 8' ' ' GLY . . . . . 0.49 ' HA2' ' HG ' ' D' ' 11' ' ' LEU . . . -67.86 -20.72 72.73 Favored Glycine 0 N--CA 1.448 -0.523 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.65 179.237 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 9' ' ' SER . . . . . 0.47 ' HB3' ' O ' ' D' ' 6' ' ' LEU . 2.1 t -60.5 -19.23 56.26 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.368 0.604 . . . . 0.0 109.82 178.351 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 10' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -110.0 -20.52 12.7 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.831 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 11' ' ' LEU . . . . . 1.06 ' HA ' ' H3 ' ' C' ' 22' ' ' IPH . 71.7 mt -66.54 -30.63 70.99 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 178.638 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 12' ' ' VAL . . . . . 0.47 ' O ' ' HB2' ' D' ' 16' ' ' TYR . 20.8 m -67.48 -33.11 60.28 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.104 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.223 178.822 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -57.54 -54.21 49.4 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-O 121.36 0.6 . . . . 0.0 110.079 179.536 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 14' ' ' ALA . . . . . 0.519 ' HB1' HD13 ' C' ' 16' ' ' LEU . . . -55.46 -56.94 14.38 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.998 -1.001 . . . . 0.0 111.752 -179.644 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 89.7 mt -54.79 -46.62 74.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.722 -179.644 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 16' ' ' TYR . . . . . 0.573 ' HE2' ' HE2' ' B' ' 26' ' ' TYR . 0.2 OUTLIER -61.69 -53.53 54.83 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.9 -178.833 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D ' 17' ' ' LEU . . . . . 0.425 HD13 ' NE2' ' B' ' 5' ' ' HIS . 4.3 mm? -61.46 -46.9 88.08 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -178.732 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 97.0 t -65.67 -38.82 83.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -179.296 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -77.33 -24.75 50.74 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 122.146 -0.346 . . . . 0.0 111.565 -179.177 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.08 -132.33 11.01 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.223 179.632 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 21' ' ' GLU . . . . . 0.462 ' OE2' ' HB2' ' B' ' 5' ' ' HIS . 28.0 mm-40 -88.3 50.16 1.92 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.601 0.715 . . . . 0.0 109.75 179.33 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 22' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -125.21 -176.0 3.46 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.278 -0.874 . . . . 0.0 109.44 179.717 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 23' ' ' GLY . . . . . 0.808 ' HA2' ' HD2' ' B' ' 28' ' ' PRO . . . -113.9 176.11 16.88 Favored Glycine 0 N--CA 1.443 -0.891 0 C-N-CA 120.383 -0.913 . . . . 0.0 112.609 179.637 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 24' ' ' PHE . . . . . 0.714 ' HA ' ' HB2' ' C' ' 21' ' ' ASN . 5.6 p90 -152.22 140.95 20.92 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-O 121.361 0.601 . . . . 0.0 111.077 179.187 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 25' ' ' PHE . . . . . 0.487 ' HA ' ' HA ' ' B' ' 25' ' ' PHE . 11.9 p90 -98.92 100.52 11.71 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 106.927 -1.509 . . . . 0.0 106.927 177.635 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 26' ' ' TYR . . . . . 0.566 ' HE2' ' HE2' ' B' ' 16' ' ' TYR . 11.8 t80 -106.41 103.43 12.89 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.528 -177.402 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 27' ' ' THR . . . . . 0.703 ' HA ' ' HA3' ' B' ' 23' ' ' GLY . 0.4 OUTLIER -114.73 81.88 7.62 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.65 -178.727 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D ' 28' ' ' PRO . . . . . 0.809 ' HD2' ' HA2' ' B' ' 23' ' ' GLY . 55.5 Cg_endo -70.58 82.92 0.88 Allowed 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 122.332 2.021 . . . . 0.0 110.592 178.663 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 56.9 tttp -134.47 149.29 50.71 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.519 -178.42 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 21.2 m . . . . . 0 C--O 1.252 1.221 0 CA-C-O 117.891 -1.052 . . . . 0.0 108.734 178.829 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.852 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' E' E ' 2' ' ' ILE . . . . . . . . . . . . . 13.8 tt -64.45 -37.79 80.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.81 0.305 . . . . 0.0 111.281 -179.053 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 3' ' ' VAL . . . . . 0.587 ' O ' ' HB3' ' E' ' 7' ' ' CYS . 90.1 t -73.31 -44.26 55.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.674 0.75 . . . . 0.0 109.21 178.407 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 4' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -59.86 -29.66 68.45 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 114.806 -1.088 . . . . 0.0 111.635 179.467 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -101.72 -46.74 4.84 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 114.011 1.115 . . . . 0.0 114.011 -177.632 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 6' ' ' CYS . . . . . 0.444 ' HB3' ' HB2' ' E' ' 11' ' ' CYS . 45.5 m -107.96 8.92 28.67 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 115.065 1.505 . . . . 0.0 115.065 -175.561 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 7' ' ' CYS . . . . . 0.754 ' HB2' HD11 ' F' ' 11' ' ' LEU . 8.6 t -111.59 -13.21 13.83 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 121.638 -0.664 . . . . 0.0 110.199 178.767 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 9.2 t -76.22 -12.73 60.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.697 178.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 9' ' ' SER . . . . . . . . . . . . . 19.4 t 177.0 168.15 0.54 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.158 -1.423 . . . . 0.0 107.158 179.3 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 10' ' ' ILE . . . . . 0.465 HG12 ' HB3' ' J' ' 5' ' ' HIS . 1.6 mp -61.43 121.78 10.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 121.649 0.738 . . . . 0.0 110.548 -179.293 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 11' ' ' CYS . . . . . 0.444 ' HB2' ' HB3' ' E' ' 6' ' ' CYS . 2.9 t -83.13 159.65 22.03 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 114.152 -1.385 . . . . 0.0 110.63 -178.833 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 12' ' ' SER . . . . . 0.596 ' HB2' ' HB2' ' E' ' 15' ' ' GLN . 6.0 m -70.1 142.27 52.64 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.458 179.601 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 10.3 tt -59.93 -46.39 89.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.954 0.407 . . . . 0.0 110.779 -179.62 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -69.94 -25.4 63.64 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.526 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 15' ' ' GLN . . . . . 0.596 ' HB2' ' HB2' ' E' ' 12' ' ' SER . 36.7 tt0 -72.2 -38.32 69.05 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 178.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 16' ' ' LEU . . . . . 0.528 HD13 ' HB1' ' F' ' 14' ' ' ALA . 77.1 mt -72.84 -25.04 60.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.092 178.693 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 17' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -66.77 -23.86 66.13 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.72 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 18' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -78.83 -4.34 49.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.955 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 19' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -89.49 -97.87 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.443 179.663 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 20' ' ' CYS . . . . . 0.486 ' HB3' ' H ' ' E' ' 21' ' ' ASN . 44.5 m 56.1 -138.23 1.03 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.048 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 21' ' ' ASN . . . . . 0.748 ' HB2' ' HA ' ' F' ' 24' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.163 -0.922 . . . . 0.0 109.238 179.664 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' F' F ' 1' ' ' PHE . . . . . . . . . . . . . 5.4 p90 . . . . . 0 N--CA 1.481 1.11 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' F' F ' 2' ' ' VAL . . . . . 0.502 HG11 HD12 ' F' ' 6' ' ' LEU . 32.8 m -118.53 -156.47 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.709 179.642 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' F' F ' 3' ' ' ASN . . . . . . . . . . . . . 28.9 t30 -143.52 -177.48 5.41 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 120.821 0.343 . . . . 0.0 111.256 -178.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 4' ' ' GLN . . . . . 0.439 ' CD ' ' HB2' ' F' ' 28' ' ' PRO . 23.8 tt0 -42.74 -40.71 2.91 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 124.488 1.115 . . . . 0.0 112.423 179.296 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' F' F ' 5' ' ' HIS . . . . . 0.482 ' HB3' HG12 ' A' ' 10' ' ' ILE . 11.1 t60 -48.89 -47.62 43.01 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -179.414 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' F' F ' 6' ' ' LEU . . . . . 0.502 HD12 HG11 ' F' ' 2' ' ' VAL . 42.9 mt -86.28 -24.69 25.86 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.484 -178.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' F' F ' 7' ' ' CYS . . . . . . . . . . . . . 42.2 t -68.32 -46.01 71.38 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 177.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 8' ' ' GLY . . . . . 0.506 ' HA2' ' HG ' ' F' ' 11' ' ' LEU . . . -67.98 -20.42 72.69 Favored Glycine 0 N--CA 1.447 -0.571 0 CA-C-N 115.361 -0.836 . . . . 0.0 112.619 179.394 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' F' F ' 9' ' ' SER . . . . . 0.469 ' HB3' ' O ' ' F' ' 6' ' ' LEU . 2.0 t -60.88 -19.0 59.48 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.405 0.621 . . . . 0.0 109.684 178.509 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' F' F ' 10' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -110.09 -20.83 12.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.819 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 11' ' ' LEU . . . . . 0.976 ' HA ' ' H3 ' ' E' ' 22' ' ' IPH . 69.8 mt -66.32 -30.88 71.38 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 178.621 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' F' F ' 12' ' ' VAL . . . . . 0.484 ' O ' ' HB2' ' F' ' 16' ' ' TYR . 21.0 m -67.14 -33.27 62.03 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.081 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.486 178.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' F' F ' 13' ' ' GLU . . . . . . . . . . . . . 74.5 mt-10 -57.47 -54.36 47.72 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 121.305 0.574 . . . . 0.0 110.032 179.467 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 14' ' ' ALA . . . . . 0.528 ' HB1' HD13 ' E' ' 16' ' ' LEU . . . -55.59 -56.51 19.43 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.892 -1.049 . . . . 0.0 111.678 -179.672 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' F' F ' 15' ' ' LEU . . . . . . . . . . . . . 92.8 mt -54.89 -46.26 74.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.731 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 16' ' ' TYR . . . . . 0.551 ' HE2' ' HE2' ' H' ' 26' ' ' TYR . 0.2 OUTLIER -62.58 -53.78 49.57 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.976 -178.604 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' F' F ' 17' ' ' LEU . . . . . 0.405 HD13 ' NE2' ' H' ' 5' ' ' HIS . 4.3 mm? -61.09 -46.2 91.62 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -178.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 96.4 t -66.24 -40.35 86.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -179.111 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -75.01 -26.98 59.93 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.673 -179.189 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' F' F ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.32 -131.6 10.62 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.234 179.736 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 21' ' ' GLU . . . . . 0.45 ' OE2' ' HB2' ' H' ' 5' ' ' HIS . 33.3 mm-40 -88.9 48.19 1.6 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.563 0.697 . . . . 0.0 109.748 179.351 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' F' F ' 22' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -123.71 -177.26 3.68 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.606 179.685 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 23' ' ' GLY . . . . . 0.794 ' HA2' ' HD2' ' H' ' 28' ' ' PRO . . . -113.64 175.17 16.22 Favored Glycine 0 N--CA 1.442 -0.965 0 C-N-CA 120.367 -0.921 . . . . 0.0 112.54 179.74 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' F' F ' 24' ' ' PHE . . . . . 0.748 ' HA ' ' HB2' ' E' ' 21' ' ' ASN . 5.7 p90 -150.9 141.6 22.72 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.478 0.656 . . . . 0.0 111.116 179.491 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' F' F ' 25' ' ' PHE . . . . . 0.503 ' HA ' ' HA ' ' H' ' 25' ' ' PHE . 11.2 p90 -99.05 100.57 11.74 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 106.839 -1.541 . . . . 0.0 106.839 177.7 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' F' F ' 26' ' ' TYR . . . . . 0.566 ' HE2' ' HE2' ' H' ' 16' ' ' TYR . 12.1 t80 -106.77 103.01 12.35 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.649 -177.256 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' F' F ' 27' ' ' THR . . . . . 0.691 ' HA ' ' HA3' ' H' ' 23' ' ' GLY . 0.3 OUTLIER -114.26 82.05 7.02 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.816 -178.92 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' F' F ' 28' ' ' PRO . . . . . 0.807 ' HD2' ' HA2' ' H' ' 23' ' ' GLY . 55.5 Cg_endo -70.24 82.43 0.85 Allowed 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.268 1.979 . . . . 0.0 110.555 178.536 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' F' F ' 29' ' ' LYS . . . . . . . . . . . . . 56.3 tttp -134.48 147.85 50.45 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.564 -178.391 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 30' ' ' THR . . . . . . . . . . . . . 18.9 m . . . . . 0 C--O 1.252 1.184 0 CA-C-O 117.64 -1.172 . . . . 0.0 108.5 178.622 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' G' G ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.411 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' G' G ' 2' ' ' ILE . . . . . . . . . . . . . 14.2 tt -64.65 -38.8 83.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.881 0.341 . . . . 0.0 110.958 -179.365 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 3' ' ' VAL . . . . . 0.572 ' O ' ' HB3' ' G' ' 7' ' ' CYS . 90.5 t -72.32 -43.87 64.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.923 0.868 . . . . 0.0 109.523 178.737 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' G' G ' 4' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -60.02 -32.29 70.74 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 114.998 -1.001 . . . . 0.0 111.54 179.469 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 5' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -98.5 -46.54 5.71 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 -177.471 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 6' ' ' CYS . . . . . 0.456 ' HB3' ' HB2' ' G' ' 11' ' ' CYS . 44.4 m -108.03 8.16 28.15 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 115.129 1.529 . . . . 0.0 115.129 -175.65 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' G' G ' 7' ' ' CYS . . . . . 0.762 ' HB2' HD11 ' H' ' 11' ' ' LEU . 7.6 t -111.1 -12.74 14.13 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 118.67 0.668 . . . . 0.0 110.184 178.694 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' G' G ' 8' ' ' THR . . . . . . . . . . . . . 9.7 t -75.9 -13.83 60.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.352 0.596 . . . . 0.0 109.607 178.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 9' ' ' SER . . . . . . . . . . . . . 14.3 t 178.01 168.77 0.74 Allowed 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 106.977 -1.49 . . . . 0.0 106.977 179.367 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 10' ' ' ILE . . . . . 0.453 HG12 ' HB3' ' D' ' 5' ' ' HIS . 1.6 mp -61.46 122.77 12.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-O 121.736 0.779 . . . . 0.0 110.5 -179.449 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' G' G ' 11' ' ' CYS . . . . . 0.456 ' HB2' ' HB3' ' G' ' 6' ' ' CYS . 2.5 t -83.75 160.97 21.15 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 114.142 -1.39 . . . . 0.0 110.41 -178.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' G' G ' 12' ' ' SER . . . . . 0.59 ' HB2' ' HB2' ' G' ' 15' ' ' GLN . 6.6 m -72.06 140.65 49.08 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.494 179.691 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' G' G ' 13' ' ' LEU . . . . . . . . . . . . . 10.2 tt -57.75 -47.53 82.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.854 -179.534 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -69.86 -23.99 63.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.524 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 15' ' ' GLN . . . . . 0.59 ' HB2' ' HB2' ' G' ' 12' ' ' SER . 37.0 tt0 -73.45 -37.69 65.73 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.995 -0.742 . . . . 0.0 108.995 179.004 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' G' G ' 16' ' ' LEU . . . . . 0.488 HD13 ' HB1' ' H' ' 14' ' ' ALA . 71.2 mt -73.37 -24.65 60.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.012 178.533 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' G' G ' 17' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -67.08 -22.91 65.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.573 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 18' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -81.03 -1.12 42.72 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 121.082 0.468 . . . . 0.0 110.825 179.625 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 19' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -92.17 -97.77 0.13 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.122 179.353 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 20' ' ' CYS . . . . . 0.453 ' HB3' ' H ' ' G' ' 21' ' ' ASN . 51.7 m 55.81 -138.49 1.03 Allowed 'General case' 0 C--O 1.233 0.188 0 O-C-N 123.203 0.315 . . . . 0.0 111.074 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' G' G ' 21' ' ' ASN . . . . . 0.737 ' HB2' ' HA ' ' H' ' 24' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--O 1.247 0.951 0 CA-C-O 117.964 -1.017 . . . . 0.0 109.012 179.449 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' H' H ' 1' ' ' PHE . . . . . . . . . . . . . 5.3 p90 . . . . . 0 N--CA 1.483 1.212 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' H' H ' 2' ' ' VAL . . . . . 0.496 HG11 HD12 ' H' ' 6' ' ' LEU . 32.7 m -118.5 -157.69 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 C-N-CA 121.257 -0.177 . . . . 0.0 110.604 179.62 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' H' H ' 3' ' ' ASN . . . . . . . . . . . . . 32.7 t30 -142.67 -176.75 4.99 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 120.843 0.354 . . . . 0.0 111.323 -178.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' H' H ' 4' ' ' GLN . . . . . 0.423 ' CD ' ' HB2' ' H' ' 28' ' ' PRO . 24.2 tt0 -42.34 -41.1 2.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 114.632 -1.167 . . . . 0.0 112.53 179.366 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' H' H ' 5' ' ' HIS . . . . . 0.49 ' HB3' HG12 ' K' ' 10' ' ' ILE . 10.1 t60 -48.72 -47.94 40.83 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 112.019 0.377 . . . . 0.0 112.019 -179.395 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' H' H ' 6' ' ' LEU . . . . . 0.496 HD12 HG11 ' H' ' 2' ' ' VAL . 39.2 mt -85.86 -24.72 26.58 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.596 -178.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' H' H ' 7' ' ' CYS . . . . . . . . . . . . . 43.0 t -68.54 -45.87 71.04 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 177.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' H' H ' 8' ' ' GLY . . . . . 0.511 ' HA2' ' HG ' ' H' ' 11' ' ' LEU . . . -67.77 -21.22 72.94 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.443 -0.799 . . . . 0.0 112.626 179.423 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' H' H ' 9' ' ' SER . . . . . 0.457 ' HB3' ' O ' ' H' ' 6' ' ' LEU . 2.1 t -60.18 -19.43 54.0 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.401 0.62 . . . . 0.0 109.829 178.47 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' H' H ' 10' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -109.73 -20.81 12.68 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.843 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' H' H ' 11' ' ' LEU . . . . . 1.014 ' HA ' ' H3 ' ' G' ' 22' ' ' IPH . 69.3 mt -66.47 -30.75 71.16 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 178.822 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' H' H ' 12' ' ' VAL . . . . . 0.491 ' O ' ' HB2' ' H' ' 16' ' ' TYR . 20.8 m -67.24 -33.53 63.43 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.114 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.261 178.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' H' H ' 13' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -57.18 -54.73 43.52 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-O 121.358 0.599 . . . . 0.0 109.93 179.464 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' H' H ' 14' ' ' ALA . . . . . 0.488 ' HB1' HD13 ' G' ' 16' ' ' LEU . . . -55.3 -56.8 15.88 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.831 -1.077 . . . . 0.0 111.811 -179.66 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' H' H ' 15' ' ' LEU . . . . . . . . . . . . . 95.6 mt -54.35 -47.24 72.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.066 0.46 . . . . 0.0 111.737 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' H' H ' 16' ' ' TYR . . . . . 0.566 ' HE2' ' HE2' ' F' ' 26' ' ' TYR . 0.2 OUTLIER -61.39 -53.81 51.81 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.038 -178.816 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' H' H ' 17' ' ' LEU . . . . . 0.443 HD13 ' NE2' ' F' ' 5' ' ' HIS . 4.3 mm? -61.25 -45.91 92.57 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -178.817 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 95.0 t -66.78 -38.31 81.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 112.257 0.465 . . . . 0.0 112.257 -179.135 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' H' H ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -77.6 -25.79 50.17 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.93 -0.308 . . . . 0.0 111.453 -178.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' H' H ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.33 -132.69 11.26 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.285 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' H' H ' 21' ' ' GLU . . . . . 0.466 ' OE2' ' HB2' ' F' ' 5' ' ' HIS . 30.1 mm-40 -87.54 46.41 1.38 Allowed 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.546 0.689 . . . . 0.0 110.148 179.543 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' H' H ' 22' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -121.63 -175.93 3.2 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.916 179.683 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' H' H ' 23' ' ' GLY . . . . . 0.807 ' HA2' ' HD2' ' F' ' 28' ' ' PRO . . . -114.31 175.79 16.49 Favored Glycine 0 N--CA 1.443 -0.835 0 C-N-CA 120.436 -0.888 . . . . 0.0 112.633 179.67 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' H' H ' 24' ' ' PHE . . . . . 0.737 ' HA ' ' HB2' ' G' ' 21' ' ' ASN . 5.6 p90 -151.87 140.77 21.04 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-O 121.255 0.55 . . . . 0.0 111.246 179.304 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' H' H ' 25' ' ' PHE . . . . . 0.503 ' HA ' ' HA ' ' F' ' 25' ' ' PHE . 11.2 p90 -98.42 101.03 12.36 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 106.891 -1.522 . . . . 0.0 106.891 177.542 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' H' H ' 26' ' ' TYR . . . . . 0.551 ' HE2' ' HE2' ' F' ' 16' ' ' TYR . 11.7 t80 -106.84 103.29 12.69 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.446 -177.292 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' H' H ' 27' ' ' THR . . . . . 0.71 ' HA ' ' HA3' ' F' ' 23' ' ' GLY . 0.6 OUTLIER -114.72 82.47 8.13 Favored Pre-proline 0 C--N 1.319 -0.718 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.569 -178.851 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' H' H ' 28' ' ' PRO . . . . . 0.794 ' HD2' ' HA2' ' F' ' 23' ' ' GLY . 51.2 Cg_endo -70.41 83.07 0.83 Allowed 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.314 2.009 . . . . 0.0 110.502 178.527 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' H' H ' 29' ' ' LYS . . . . . . . . . . . . . 56.7 tttp -134.98 148.28 49.95 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.738 -178.31 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' H' H ' 30' ' ' THR . . . . . . . . . . . . . 20.0 m . . . . . 0 C--O 1.253 1.284 0 CA-C-O 117.935 -1.031 . . . . 0.0 108.839 178.96 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' I' I ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.684 0 N-CA-C 111.577 -0.609 . . . . 0.0 111.577 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' I' I ' 2' ' ' ILE . . . . . . . . . . . . . 14.1 tt -64.77 -37.52 80.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.61 0.243 . . . . 0.0 111.329 -178.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' I' I ' 3' ' ' VAL . . . . . 0.575 ' O ' ' HB3' ' I' ' 7' ' ' CYS . 93.4 t -74.14 -42.81 51.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.931 0.872 . . . . 0.0 109.192 178.792 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' I' I ' 4' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -61.21 -30.59 70.52 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 114.632 -1.167 . . . . 0.0 111.43 179.331 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' I' I ' 5' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -100.23 -46.42 5.29 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 114.404 1.261 . . . . 0.0 114.404 -177.568 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' I' I ' 6' ' ' CYS . . . . . 0.503 ' HB3' ' HB2' ' I' ' 11' ' ' CYS . 48.8 m -108.11 7.71 27.76 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 114.87 1.433 . . . . 0.0 114.87 -175.568 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' I' I ' 7' ' ' CYS . . . . . 0.759 ' HB2' HD11 ' J' ' 11' ' ' LEU . 8.5 t -110.61 -13.1 14.27 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 118.695 0.679 . . . . 0.0 110.151 178.609 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' I' I ' 8' ' ' THR . . . . . . . . . . . . . 10.0 t -75.59 -13.59 60.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.32 0.581 . . . . 0.0 109.792 178.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' I' I ' 9' ' ' SER . . . . . . . . . . . . . 22.8 t 178.21 168.96 0.78 Allowed 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 106.953 -1.499 . . . . 0.0 106.953 179.452 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' I' I ' 10' ' ' ILE . . . . . 0.479 HG12 ' HB3' ' B' ' 5' ' ' HIS . 1.6 mp -61.96 122.94 13.77 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.715 0 CA-C-O 121.664 0.745 . . . . 0.0 110.451 -179.453 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' I' I ' 11' ' ' CYS . . . . . 0.503 ' HB2' ' HB3' ' I' ' 6' ' ' CYS . 2.9 t -84.08 159.97 21.03 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 114.269 -1.332 . . . . 0.0 110.576 -178.588 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' I' I ' 12' ' ' SER . . . . . 0.594 ' HB2' ' HB2' ' I' ' 15' ' ' GLN . 3.6 m -69.6 142.32 53.55 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.228 179.517 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' I' I ' 13' ' ' LEU . . . . . . . . . . . . . 10.3 tt -59.77 -47.54 85.27 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.87 0.367 . . . . 0.0 110.537 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -68.93 -25.78 64.74 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.558 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' I' I ' 15' ' ' GLN . . . . . 0.594 ' HB2' ' HB2' ' I' ' 12' ' ' SER . 37.9 tt0 -72.48 -37.41 68.46 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 179.105 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' I' I ' 16' ' ' LEU . . . . . 0.501 HD13 ' HB1' ' J' ' 14' ' ' ALA . 65.5 mt -73.48 -24.51 60.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.06 178.558 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' I' I ' 17' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -67.58 -22.55 65.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.545 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' I' I ' 18' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -81.44 -0.43 41.56 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 121.072 0.463 . . . . 0.0 110.667 179.646 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' I' I ' 19' ' ' TYR . . . . . . . . . . . . . 8.8 m-30 -93.0 -96.95 0.14 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.188 179.407 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' I' I ' 20' ' ' CYS . . . . . 0.468 ' HB3' ' H ' ' I' ' 21' ' ' ASN . 51.0 m 55.09 -137.89 1.13 Allowed 'General case' 0 N--CA 1.466 0.355 0 O-C-N 123.236 0.335 . . . . 0.0 111.087 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' I' I ' 21' ' ' ASN . . . . . 0.738 ' HB2' ' HA ' ' J' ' 24' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.044 0 CA-C-O 117.987 -1.006 . . . . 0.0 108.962 179.473 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' J' J ' 1' ' ' PHE . . . . . . . . . . . . . 5.7 p90 . . . . . 0 N--CA 1.48 1.036 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' J' J ' 2' ' ' VAL . . . . . 0.478 HG11 HD12 ' J' ' 6' ' ' LEU . 31.7 m -117.38 -155.23 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.059 179.755 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' J' J ' 3' ' ' ASN . . . . . . . . . . . . . 24.4 t30 -144.34 -177.5 5.5 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.854 0.359 . . . . 0.0 111.069 -178.606 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' J' J ' 4' ' ' GLN . . . . . 0.404 ' CD ' ' HB2' ' J' ' 28' ' ' PRO . 24.2 tt0 -43.04 -40.99 3.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 114.809 -1.087 . . . . 0.0 112.354 179.293 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' J' J ' 5' ' ' HIS . . . . . 0.465 ' HB3' HG12 ' E' ' 10' ' ' ILE . 10.1 t60 -48.32 -48.18 36.32 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -179.476 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' J' J ' 6' ' ' LEU . . . . . 0.478 HD12 HG11 ' J' ' 2' ' ' VAL . 46.6 mt -85.94 -24.28 26.61 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.653 -178.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' J' J ' 7' ' ' CYS . . . . . . . . . . . . . 41.5 t -68.77 -46.06 69.74 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 177.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' J' J ' 8' ' ' GLY . . . . . 0.486 ' HA2' ' HG ' ' J' ' 11' ' ' LEU . . . -67.46 -20.79 72.0 Favored Glycine 0 N--CA 1.449 -0.441 0 CA-C-N 115.332 -0.849 . . . . 0.0 112.593 179.235 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' J' J ' 9' ' ' SER . . . . . 0.469 ' HB3' ' O ' ' J' ' 6' ' ' LEU . 2.0 t -60.51 -19.76 57.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.468 0.652 . . . . 0.0 109.878 178.581 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' J' J ' 10' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -109.52 -20.61 12.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.814 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' J' J ' 11' ' ' LEU . . . . . 1.077 ' HA ' ' H3 ' ' I' ' 22' ' ' IPH . 72.3 mt -66.65 -30.6 70.9 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 178.823 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' J' J ' 12' ' ' VAL . . . . . 0.472 ' O ' ' HB2' ' J' ' 16' ' ' TYR . 22.0 m -67.23 -33.37 62.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.475 178.729 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' J' J ' 13' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -57.35 -54.28 48.64 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.401 0.619 . . . . 0.0 110.092 179.521 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' J' J ' 14' ' ' ALA . . . . . 0.501 ' HB1' HD13 ' I' ' 16' ' ' LEU . . . -55.77 -56.64 18.06 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.994 -1.003 . . . . 0.0 111.762 -179.615 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' J' J ' 15' ' ' LEU . . . . . . . . . . . . . 93.2 mt -54.64 -46.37 73.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.683 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' J' J ' 16' ' ' TYR . . . . . 0.568 ' HE2' ' HE2' ' L' ' 26' ' ' TYR . 0.2 OUTLIER -62.2 -53.96 47.8 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.003 -178.754 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' J' J ' 17' ' ' LEU . . . . . 0.423 HD13 ' NE2' ' L' ' 5' ' ' HIS . 4.4 mm? -61.26 -45.7 93.42 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -178.764 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 99.1 t -66.85 -38.79 82.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 -179.239 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' J' J ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -77.12 -26.3 53.07 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.434 -178.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' J' J ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.83 -132.4 11.09 Favored Glycine 0 C--N 1.329 0.147 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.267 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' J' J ' 21' ' ' GLU . . . . . 0.474 ' OE2' ' HB2' ' L' ' 5' ' ' HIS . 27.1 mm-40 -87.82 46.84 1.42 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.415 0.626 . . . . 0.0 109.92 179.517 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' J' J ' 22' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -122.23 -176.17 3.29 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.93 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' J' J ' 23' ' ' GLY . . . . . 0.828 ' HA2' ' HD2' ' L' ' 28' ' ' PRO . . . -114.27 175.1 15.97 Favored Glycine 0 N--CA 1.443 -0.878 0 C-N-CA 120.363 -0.922 . . . . 0.0 112.445 179.727 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' J' J ' 24' ' ' PHE . . . . . 0.738 ' HA ' ' HB2' ' I' ' 21' ' ' ASN . 5.7 p90 -151.2 141.39 22.25 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.488 0.661 . . . . 0.0 111.207 179.328 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' J' J ' 25' ' ' PHE . . . . . 0.48 ' HA ' ' HA ' ' L' ' 25' ' ' PHE . 12.2 p90 -99.25 100.63 11.75 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 106.839 -1.541 . . . . 0.0 106.839 177.665 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' J' J ' 26' ' ' TYR . . . . . 0.559 ' HE2' ' HE2' ' L' ' 16' ' ' TYR . 11.8 t80 -106.55 102.73 12.09 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.57 -177.341 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' J' J ' 27' ' ' THR . . . . . 0.699 ' HA ' ' HA3' ' L' ' 23' ' ' GLY . 0.4 OUTLIER -113.98 82.1 6.62 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.775 -179.17 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' J' J ' 28' ' ' PRO . . . . . 0.822 ' HD2' ' HA2' ' L' ' 23' ' ' GLY . 54.7 Cg_endo -70.41 81.82 0.94 Allowed 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.433 2.089 . . . . 0.0 110.651 178.69 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' J' J ' 29' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -133.66 148.98 51.55 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.546 -178.371 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' J' J ' 30' ' ' THR . . . . . . . . . . . . . 14.8 m . . . . . 0 C--O 1.25 1.116 0 CA-C-O 117.969 -1.015 . . . . 0.0 109.46 179.182 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.821 0 N-CA-C 111.638 -0.585 . . . . 0.0 111.638 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' K' K ' 2' ' ' ILE . . . . . . . . . . . . . 13.1 tt -67.18 -37.55 79.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 120.633 0.254 . . . . 0.0 110.816 -179.087 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' K' K ' 3' ' ' VAL . . . . . 0.595 ' O ' ' HB3' ' K' ' 7' ' ' CYS . 86.4 t -73.21 -43.88 56.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.897 0.856 . . . . 0.0 109.229 178.682 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' K' K ' 4' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -59.78 -31.3 69.55 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 114.663 -1.153 . . . . 0.0 111.552 179.348 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' K' K ' 5' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -100.09 -46.07 5.44 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 114.444 1.275 . . . . 0.0 114.444 -177.562 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' K' K ' 6' ' ' CYS . . . . . 0.524 ' HB3' ' HB2' ' K' ' 11' ' ' CYS . 45.0 m -108.52 8.03 27.07 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 115.02 1.489 . . . . 0.0 115.02 -175.651 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' K' K ' 7' ' ' CYS . . . . . 0.766 ' HB2' HD11 ' L' ' 11' ' ' LEU . 8.2 t -111.0 -12.96 14.17 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 118.643 0.656 . . . . 0.0 110.216 178.592 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' K' K ' 8' ' ' THR . . . . . . . . . . . . . 10.3 t -75.85 -13.61 60.28 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.386 0.613 . . . . 0.0 109.618 178.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' K' K ' 9' ' ' SER . . . . . . . . . . . . . 20.8 t 178.77 169.9 0.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.062 -1.458 . . . . 0.0 107.062 179.176 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' K' K ' 10' ' ' ILE . . . . . 0.49 HG12 ' HB3' ' H' ' 5' ' ' HIS . 1.6 mp -63.05 121.47 12.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 121.856 0.836 . . . . 0.0 110.532 -179.34 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' K' K ' 11' ' ' CYS . . . . . 0.524 ' HB2' ' HB3' ' K' ' 6' ' ' CYS . 2.9 t -82.1 160.31 23.19 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.488 -1.233 . . . . 0.0 110.654 -178.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' K' K ' 12' ' ' SER . . . . . 0.578 ' HB2' ' HB2' ' K' ' 15' ' ' GLN . 6.1 m -71.29 141.37 50.52 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.27 179.653 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' K' K ' 13' ' ' LEU . . . . . . . . . . . . . 10.3 tt -58.71 -47.03 85.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.766 -179.503 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -69.59 -24.42 63.68 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.584 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' K' K ' 15' ' ' GLN . . . . . 0.578 ' HB2' ' HB2' ' K' ' 12' ' ' SER . 37.5 tt0 -73.53 -37.32 65.65 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 179.1 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' K' K ' 16' ' ' LEU . . . . . 0.503 HD13 ' HB1' ' L' ' 14' ' ' ALA . 71.4 mt -73.44 -25.41 60.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.071 178.669 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' K' K ' 17' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -67.11 -22.51 65.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.632 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' K' K ' 18' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -80.26 -3.53 49.6 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.727 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' K' K ' 19' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -90.2 -96.81 0.11 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.472 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' K' K ' 20' ' ' CYS . . . . . 0.504 ' HB3' ' H ' ' K' ' 21' ' ' ASN . 53.4 m 54.84 -137.87 1.14 Allowed 'General case' 0 N--CA 1.463 0.215 0 O-C-N 123.207 0.317 . . . . 0.0 110.853 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' K' K ' 21' ' ' ASN . . . . . 0.722 ' HB2' ' HA ' ' L' ' 24' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--O 1.247 0.93 0 CA-C-O 118.511 -0.757 . . . . 0.0 109.335 179.323 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' L' L ' 1' ' ' PHE . . . . . . . . . . . . . 5.9 p90 . . . . . 0 N--CA 1.48 1.041 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' L' L ' 2' ' ' VAL . . . . . 0.508 HG11 HD12 ' L' ' 6' ' ' LEU . 32.9 m -117.25 -153.84 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.97 -179.814 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' L' L ' 3' ' ' ASN . . . . . . . . . . . . . 29.6 t30 -145.64 -177.49 5.6 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.872 0.368 . . . . 0.0 111.068 -179.092 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' L' L ' 4' ' ' GLN . . . . . 0.418 ' CD ' ' HB2' ' L' ' 28' ' ' PRO . 22.1 tt0 -42.99 -40.6 3.07 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 114.661 -1.154 . . . . 0.0 112.318 179.304 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' L' L ' 5' ' ' HIS . . . . . 0.478 ' HB3' HG12 ' C' ' 10' ' ' ILE . 10.3 t60 -48.8 -47.87 41.85 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.041 0.386 . . . . 0.0 112.041 -179.497 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' L' L ' 6' ' ' LEU . . . . . 0.508 HD12 HG11 ' L' ' 2' ' ' VAL . 43.8 mt -86.19 -24.31 26.17 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.562 -178.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' L' L ' 7' ' ' CYS . . . . . . . . . . . . . 41.9 t -68.64 -46.21 69.8 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 177.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' L' L ' 8' ' ' GLY . . . . . 0.501 ' HA2' ' HG ' ' L' ' 11' ' ' LEU . . . -67.51 -20.81 72.12 Favored Glycine 0 N--CA 1.448 -0.536 0 CA-C-N 115.379 -0.828 . . . . 0.0 112.596 179.268 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' L' L ' 9' ' ' SER . . . . . 0.454 ' HB3' ' O ' ' L' ' 6' ' ' LEU . 2.1 t -60.59 -19.27 57.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.326 0.584 . . . . 0.0 109.782 178.487 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' L' L ' 10' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -110.04 -20.42 12.72 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.76 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' L' L ' 11' ' ' LEU . . . . . 1.035 ' HA ' ' H3 ' ' K' ' 22' ' ' IPH . 73.1 mt -66.29 -30.93 71.45 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 178.657 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' L' L ' 12' ' ' VAL . . . . . 0.473 ' O ' ' HB2' ' L' ' 16' ' ' TYR . 21.9 m -67.22 -33.37 62.47 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.143 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.324 178.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' L' L ' 13' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -57.37 -54.41 47.12 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-O 121.346 0.594 . . . . 0.0 109.957 179.547 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' L' L ' 14' ' ' ALA . . . . . 0.503 ' HB1' HD13 ' K' ' 16' ' ' LEU . . . -55.7 -56.04 25.12 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.861 -179.549 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' L' L ' 15' ' ' LEU . . . . . . . . . . . . . 94.0 mt -55.21 -46.34 75.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.701 -179.607 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' L' L ' 16' ' ' TYR . . . . . 0.559 ' HE2' ' HE2' ' J' ' 26' ' ' TYR . 0.2 OUTLIER -62.23 -53.5 54.34 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.627 -0.715 . . . . 0.0 112.034 -178.791 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.65 -45.79 92.52 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -178.732 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 90.4 t -66.6 -38.34 81.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 -179.308 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' L' L ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -78.17 -24.18 47.33 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.787 -0.365 . . . . 0.0 111.465 -178.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' L' L ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.5 -132.66 11.25 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.327 179.556 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' L' L ' 21' ' ' GLU . . . . . 0.46 ' OE2' ' HB2' ' J' ' 5' ' ' HIS . 27.8 mm-40 -87.72 48.67 1.68 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.489 0.662 . . . . 0.0 109.864 179.594 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' L' L ' 22' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -124.6 -178.18 4.05 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.593 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' L' L ' 23' ' ' GLY . . . . . 0.822 ' HA2' ' HD2' ' J' ' 28' ' ' PRO . . . -112.11 175.11 16.9 Favored Glycine 0 N--CA 1.441 -0.994 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.853 179.591 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' L' L ' 24' ' ' PHE . . . . . 0.722 ' HA ' ' HB2' ' K' ' 21' ' ' ASN . 5.7 p90 -151.34 141.52 22.26 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 121.406 0.622 . . . . 0.0 111.025 179.409 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' L' L ' 25' ' ' PHE . . . . . 0.48 ' HA ' ' HA ' ' J' ' 25' ' ' PHE . 10.7 p90 -99.33 100.75 11.86 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 106.891 -1.522 . . . . 0.0 106.891 177.637 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' L' L ' 26' ' ' TYR . . . . . 0.568 ' HE2' ' HE2' ' J' ' 16' ' ' TYR . 12.1 t80 -106.56 103.04 12.4 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.833 -177.324 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' L' L ' 27' ' ' THR . . . . . 0.668 ' HA ' ' HA3' ' J' ' 23' ' ' GLY . 0.2 OUTLIER -114.2 82.12 6.98 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.632 -178.662 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' L' L ' 28' ' ' PRO . . . . . 0.828 ' HD2' ' HA2' ' J' ' 23' ' ' GLY . 51.7 Cg_endo -70.57 80.62 1.09 Allowed 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.366 2.044 . . . . 0.0 110.773 178.678 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' L' L ' 29' ' ' LYS . . . . . . . . . . . . . 58.6 tttp -131.84 149.91 52.31 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.84 -178.431 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' L' L ' 30' ' ' THR . . . . . . . . . . . . . 19.9 m . . . . . 0 C--O 1.253 1.269 0 CA-C-O 117.832 -1.08 . . . . 0.0 108.716 178.957 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 22' ' ' IPH . . . . . 0.997 ' H3 ' ' HA ' ' B' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 22' ' ' IPH . . . . . 1.06 ' H3 ' ' HA ' ' D' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 22' ' ' IPH . . . . . 0.976 ' H3 ' ' HA ' ' F' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 22' ' ' IPH . . . . . 1.014 ' H3 ' ' HA ' ' H' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' I' I ' 22' ' ' IPH . . . . . 1.077 ' H3 ' ' HA ' ' J' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' K' K ' 22' ' ' IPH . . . . . 1.035 ' H3 ' ' HA ' ' L' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.599 0 N-CA-C 111.781 -0.528 . . . . 0.0 111.781 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.0 tt -65.15 -33.04 60.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 111.788 0.292 . . . . 0.0 111.788 -178.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.724 HG11 ' HG3' ' B' ' 4' ' ' GLN . 53.8 t -68.05 -56.68 11.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.619 -179.749 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -67.65 -15.82 63.84 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -179.561 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -88.05 -35.37 17.57 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.592 -0.443 . . . . 0.0 111.41 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 70.9 m -103.14 -26.85 12.86 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 -178.029 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.421 ' O ' HG11 ' F' ' 2' ' ' VAL . 8.9 t -97.45 40.9 1.14 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.287 0.565 . . . . 0.0 111.337 -179.377 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.09 -48.44 2.11 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 178.251 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.9 m -149.14 17.71 0.96 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.769 178.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.415 HG23 ' C1 ' ' A' ' 22' ' ' IPH . 2.1 mp 70.39 132.87 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.979 179.759 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 44.7 m -82.02 153.84 25.97 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.206 -0.907 . . . . 0.0 111.542 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.9 t -78.68 162.47 26.18 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.643 178.446 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 39.4 tp -54.82 -40.38 69.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.088 0.471 . . . . 0.0 110.895 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 59.6 m-85 -74.46 -15.67 60.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.838 -0.619 . . . . 0.0 112.412 -179.087 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -85.61 -40.64 16.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.856 0.36 . . . . 0.0 110.755 179.21 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 60.2 mt -67.05 -33.6 75.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.447 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 61.0 tt0 -67.14 -15.18 63.56 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.222 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -70.76 -19.26 62.74 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.018 0.437 . . . . 0.0 110.641 179.2 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -101.5 -1.18 33.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.129 0.49 . . . . 0.0 110.308 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 11.1 t -83.6 156.75 22.57 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.805 -179.444 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.2 m120 . . . . . 0 C--O 1.246 0.906 0 CA-C-O 118.689 -0.672 . . . . 0.0 110.135 179.735 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 3.3 p90 . . . . . 0 N--CA 1.481 1.102 0 CA-C-O 121.742 0.782 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.443 HG11 ' O ' ' I' ' 7' ' ' CYS . 6.0 p -123.0 90.87 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-O 121.928 0.87 . . . . 0.0 110.687 -179.571 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -169.43 -57.74 0.02 OUTLIER 'General case' 0 C--O 1.216 -0.666 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.282 -179.482 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' GLN . . . . . 0.724 ' HG3' HG11 ' A' ' 3' ' ' VAL . 42.8 tt0 -51.64 -37.97 52.65 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.993 0.425 . . . . 0.0 111.921 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 5' ' ' HIS . . . . . 0.587 ' CE1' ' HA ' ' D' ' 17' ' ' LEU . 27.2 t60 -83.03 -5.96 59.3 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 -177.805 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 13.7 mt -118.52 -40.46 2.91 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.572 0.701 . . . . 0.0 110.382 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' CYS . . . . . 0.508 ' SG ' HD21 ' B' ' 11' ' ' LEU . 18.3 t -69.22 -40.29 78.06 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.888 -1.051 . . . . 0.0 110.63 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 8' ' ' GLY . . . . . 0.534 ' O ' HG22 ' B' ' 12' ' ' VAL . . . -52.36 -34.76 41.99 Favored Glycine 0 C--N 1.338 0.641 0 CA-C-N 116.032 -0.531 . . . . 0.0 112.997 179.655 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 9' ' ' SER . . . . . 0.686 ' HB2' ' HG3' ' D' ' 13' ' ' GLU . 0.0 OUTLIER -58.29 -29.27 65.72 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 122.978 0.511 . . . . 0.0 111.894 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -94.57 -21.88 18.56 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 120.951 -0.3 . . . . 0.0 111.004 -179.544 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.811 HD23 ' H3 ' ' A' ' 22' ' ' IPH . 9.0 mt -70.75 -38.83 73.53 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 177.503 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.534 HG22 ' O ' ' B' ' 8' ' ' GLY . 14.1 m -73.83 -34.43 40.19 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.788 179.356 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.679 ' HG3' ' HB2' ' D' ' 9' ' ' SER . 32.6 tt0 -61.44 -36.78 81.34 Favored 'General case' 0 C--N 1.34 0.166 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 179.187 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.484 ' O ' HG23 ' B' ' 18' ' ' VAL . . . -76.81 -32.86 57.9 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.703 178.194 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.518 HD12 ' HA ' ' B' ' 12' ' ' VAL . 26.9 mt -58.05 -60.8 3.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 112.224 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 16' ' ' TYR . . . . . 0.922 ' HB3' ' HE2' ' B' ' 24' ' ' PHE . 7.9 p90 -72.26 -9.54 58.61 Favored 'General case' 0 C--N 1.333 -0.121 0 C-N-CA 120.006 -0.678 . . . . 0.0 110.484 -179.473 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.577 ' HA ' ' CE1' ' D' ' 5' ' ' HIS . 9.9 tt -73.51 -39.48 64.78 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.234 -1.025 . . . . 0.0 108.234 178.025 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.484 HG23 ' O ' ' B' ' 14' ' ' ALA . 70.9 t -76.16 -42.97 37.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.699 178.543 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 19' ' ' CYS . . . . . 0.703 ' HB3' ' HB2' ' B' ' 22' ' ' ARG . 71.1 m -67.06 -41.13 86.97 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.722 -179.514 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.57 -95.28 0.61 Allowed Glycine 0 CA--C 1.507 -0.413 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.071 -179.656 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -92.0 -10.76 38.09 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.474 0.654 . . . . 0.0 109.491 179.513 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' ARG . . . . . 0.703 ' HB2' ' HB3' ' B' ' 19' ' ' CYS . 71.8 mtp180 -85.26 160.01 19.95 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.697 179.197 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 23' ' ' GLY . . . . . 0.69 ' HA2' ' HD2' ' D' ' 28' ' ' PRO . . . -108.1 -169.99 21.47 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.677 -0.773 . . . . 0.0 111.32 178.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 24' ' ' PHE . . . . . 0.922 ' HE2' ' HB3' ' B' ' 16' ' ' TYR . 29.1 p90 -161.36 159.5 28.44 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.169 0.509 . . . . 0.0 111.122 179.563 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 15.3 m-30 -104.06 110.6 22.83 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 178.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -110.18 99.74 8.75 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.243 0.544 . . . . 0.0 111.48 -178.698 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 27' ' ' THR . . . . . 0.666 ' HA ' ' HA3' ' D' ' 23' ' ' GLY . 5.1 m -119.18 99.26 50.7 Favored Pre-proline 0 C--N 1.315 -0.912 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 177.777 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 28' ' ' PRO . . . . . 0.687 ' HD2' ' HA2' ' D' ' 23' ' ' GLY . 30.0 Cg_endo -64.55 -114.82 0.0 OUTLIER 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.899 2.399 . . . . 0.0 112.356 -178.158 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.42 ' H ' ' HB2' ' B' ' 28' ' ' PRO . 76.4 tttt 72.83 -39.68 0.45 Allowed 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 122.996 0.518 . . . . 0.0 110.947 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 30' ' ' THR . . . . . 0.408 ' H ' ' C ' ' B' ' 28' ' ' PRO . 45.2 m . . . . . 0 C--O 1.251 1.136 0 CA-C-O 117.994 -1.003 . . . . 0.0 108.834 178.697 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.816 0 N-CA-C 111.444 -0.663 . . . . 0.0 111.444 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 13.4 tt -68.13 -32.41 55.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.817 0.341 . . . . 0.0 111.376 -179.6 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 3' ' ' VAL . . . . . 0.734 HG11 ' HG3' ' D' ' 4' ' ' GLN . 52.9 t -68.21 -57.14 10.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.586 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -68.51 -12.85 61.82 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -179.326 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -90.43 -37.25 14.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 122.048 -0.407 . . . . 0.0 111.07 179.537 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 70.7 m -100.72 -28.38 12.86 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 113.007 0.743 . . . . 0.0 113.007 -178.039 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 7' ' ' CYS . . . . . 0.426 ' O ' HG11 ' L' ' 2' ' ' VAL . 8.4 t -96.27 41.17 1.11 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.368 0.604 . . . . 0.0 111.44 -179.452 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -122.19 -49.84 2.04 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 177.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 73.1 m -147.98 17.97 1.11 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.642 178.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 10' ' ' ILE . . . . . 0.417 HG23 ' C1 ' ' C' ' 22' ' ' IPH . 2.1 mp 70.45 133.64 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 CA-C-N 115.175 -0.921 . . . . 0.0 111.818 179.613 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 46.4 m -82.87 153.76 24.96 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.45 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 33.1 t -78.36 163.0 26.05 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.507 178.399 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 39.6 tp -56.22 -38.01 70.46 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.174 0.511 . . . . 0.0 110.949 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -76.73 -14.93 59.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.028 -179.244 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -86.3 -40.11 15.82 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.077 0.465 . . . . 0.0 110.487 179.334 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 59.5 mt -67.41 -33.92 76.17 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.535 -179.696 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 64.3 tt0 -67.44 -14.59 63.07 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.147 -179.514 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 27.1 m120 -71.5 -18.79 62.26 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.89 0.376 . . . . 0.0 110.473 179.317 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -101.29 -1.85 32.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.107 0.479 . . . . 0.0 110.351 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 10.7 t -82.58 158.5 23.05 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.147 -179.403 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 5.5 m120 . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.773 -0.632 . . . . 0.0 110.172 179.741 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 3.2 p90 . . . . . 0 N--CA 1.482 1.143 0 CA-C-O 121.767 0.794 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 2' ' ' VAL . . . . . 0.438 HG11 ' O ' ' G' ' 7' ' ' CYS . 5.9 p -122.68 89.98 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.853 0.835 . . . . 0.0 110.78 -179.404 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 3' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -168.38 -57.93 0.02 OUTLIER 'General case' 0 C--O 1.215 -0.715 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.348 -179.508 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 4' ' ' GLN . . . . . 0.734 ' HG3' HG11 ' C' ' 3' ' ' VAL . 46.4 tt0 -51.21 -38.89 54.95 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.919 0.39 . . . . 0.0 111.941 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 5' ' ' HIS . . . . . 0.577 ' CE1' ' HA ' ' B' ' 17' ' ' LEU . 26.7 t60 -81.9 -6.43 59.1 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 -177.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 13.2 mt -118.39 -40.59 2.91 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 121.671 0.748 . . . . 0.0 110.473 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 7' ' ' CYS . . . . . 0.531 ' SG ' HD21 ' D' ' 11' ' ' LEU . 16.2 t -69.18 -39.95 78.39 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 114.802 -1.09 . . . . 0.0 110.693 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 8' ' ' GLY . . . . . 0.504 ' O ' HG22 ' D' ' 12' ' ' VAL . . . -52.78 -34.44 44.6 Favored Glycine 0 C--N 1.334 0.446 0 CA-C-N 115.974 -0.557 . . . . 0.0 112.897 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 9' ' ' SER . . . . . 0.679 ' HB2' ' HG3' ' B' ' 13' ' ' GLU . 0.0 OUTLIER -58.61 -29.16 66.27 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 122.88 0.472 . . . . 0.0 111.887 -179.89 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' D' D ' 10' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -94.64 -21.81 18.56 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.836 -0.346 . . . . 0.0 111.114 -179.496 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 11' ' ' LEU . . . . . 0.814 HD23 ' H3 ' ' C' ' 22' ' ' IPH . 9.1 mt -70.71 -39.05 73.64 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 177.559 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 12' ' ' VAL . . . . . 0.522 ' HA ' HD12 ' D' ' 15' ' ' LEU . 15.2 m -73.72 -34.17 40.2 Favored 'Isoleucine or valine' 0 C--O 1.232 0.158 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.802 179.415 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 13' ' ' GLU . . . . . 0.686 ' HG3' ' HB2' ' B' ' 9' ' ' SER . 33.2 tt0 -61.69 -36.49 81.03 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 179.268 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 14' ' ' ALA . . . . . 0.459 ' O ' HG23 ' D' ' 18' ' ' VAL . . . -76.97 -33.18 57.66 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.582 178.219 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 15' ' ' LEU . . . . . 0.522 HD12 ' HA ' ' D' ' 12' ' ' VAL . 25.8 mt -57.75 -60.91 2.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.091 -179.658 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 16' ' ' TYR . . . . . 0.932 ' HB3' ' HE2' ' D' ' 24' ' ' PHE . 8.0 p90 -72.19 -9.55 58.59 Favored 'General case' 0 C--N 1.334 -0.108 0 C-N-CA 120.057 -0.657 . . . . 0.0 110.607 -179.51 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 17' ' ' LEU . . . . . 0.587 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 9.5 tt -73.36 -40.25 64.53 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.223 -1.028 . . . . 0.0 108.223 177.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 18' ' ' VAL . . . . . 0.459 HG23 ' O ' ' D' ' 14' ' ' ALA . 67.2 t -75.55 -42.67 42.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.899 178.592 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 19' ' ' CYS . . . . . 0.721 ' HB3' ' HB2' ' D' ' 22' ' ' ARG . 71.2 m -67.77 -40.3 84.02 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.293 -0.867 . . . . 0.0 111.679 -179.508 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.17 -96.27 0.61 Allowed Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.901 -0.666 . . . . 0.0 111.866 -179.463 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -89.44 -15.49 33.03 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.453 0.644 . . . . 0.0 109.589 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 22' ' ' ARG . . . . . 0.721 ' HB2' ' HB3' ' D' ' 19' ' ' CYS . 69.8 mtp180 -80.75 161.21 24.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.14 179.415 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 23' ' ' GLY . . . . . 0.687 ' HA2' ' HD2' ' B' ' 28' ' ' PRO . . . -109.65 -170.25 20.27 Favored Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 178.829 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 24' ' ' PHE . . . . . 0.932 ' HE2' ' HB3' ' D' ' 16' ' ' TYR . 29.8 p90 -160.91 159.26 29.45 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.208 0.527 . . . . 0.0 111.081 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 25' ' ' PHE . . . . . . . . . . . . . 15.5 m-30 -104.16 109.02 20.66 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.717 -0.845 . . . . 0.0 108.717 178.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 26' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -108.73 98.76 8.21 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.143 0.497 . . . . 0.0 111.872 -178.532 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 27' ' ' THR . . . . . 0.666 ' HA ' ' HA3' ' B' ' 23' ' ' GLY . 5.7 m -118.26 99.9 51.7 Favored Pre-proline 0 C--N 1.312 -1.05 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 177.678 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 28' ' ' PRO . . . . . 0.69 ' HD2' ' HA2' ' B' ' 23' ' ' GLY . 30.1 Cg_endo -65.21 -113.78 0.0 OUTLIER 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 123.003 2.468 . . . . 0.0 112.292 -178.028 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 29' ' ' LYS . . . . . 0.445 ' H ' ' HB2' ' D' ' 28' ' ' PRO . 77.9 tttt 72.17 -39.49 0.45 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.093 0.557 . . . . 0.0 110.911 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 30' ' ' THR . . . . . 0.426 ' H ' ' C ' ' D' ' 28' ' ' PRO . 60.0 m . . . . . 0 C--O 1.25 1.117 0 CA-C-O 117.921 -1.038 . . . . 0.0 108.82 178.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.198 0 N-CA-C 111.821 -0.511 . . . . 0.0 111.821 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' E' E ' 2' ' ' ILE . . . . . . . . . . . . . 13.9 tt -67.0 -32.57 58.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 -179.353 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 3' ' ' VAL . . . . . 0.748 HG11 ' HG3' ' F' ' 4' ' ' GLN . 55.5 t -68.0 -57.22 10.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.583 -179.655 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 4' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -68.59 -12.63 61.56 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -179.1 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -90.86 -37.18 13.75 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.843 0.354 . . . . 0.0 110.668 179.692 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 6' ' ' CYS . . . . . . . . . . . . . 71.3 m -101.35 -27.09 13.36 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.18 0.807 . . . . 0.0 113.18 -177.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 7' ' ' CYS . . . . . 0.451 ' O ' HG11 ' J' ' 2' ' ' VAL . 8.3 t -96.84 40.07 1.15 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.291 0.567 . . . . 0.0 111.214 -179.481 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.93 -50.14 2.18 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 178.012 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 9' ' ' SER . . . . . . . . . . . . . 73.7 m -147.68 18.75 1.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.639 178.627 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 10' ' ' ILE . . . . . 0.409 HG23 ' C1 ' ' E' ' 22' ' ' IPH . 2.1 mp 70.37 134.83 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 CA-C-N 115.223 -0.899 . . . . 0.0 111.792 179.788 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 11' ' ' CYS . . . . . . . . . . . . . 38.2 m -83.95 155.35 22.87 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.355 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 12' ' ' SER . . . . . . . . . . . . . 30.6 t -79.87 162.4 25.05 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.621 178.56 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 40.2 tp -55.91 -37.39 68.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.194 0.521 . . . . 0.0 111.042 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -77.92 -14.04 59.68 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.76 -0.655 . . . . 0.0 112.216 -179.142 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -87.01 -40.65 14.54 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.075 0.464 . . . . 0.0 110.224 179.337 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 16' ' ' LEU . . . . . . . . . . . . . 59.8 mt -66.38 -33.83 76.59 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.625 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 17' ' ' GLU . . . . . . . . . . . . . 62.1 tt0 -67.05 -16.41 64.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.82 0.343 . . . . 0.0 111.09 -179.607 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 18' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -68.94 -20.83 64.22 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.789 0.328 . . . . 0.0 110.491 179.02 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 19' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -99.93 -1.43 37.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.073 0.463 . . . . 0.0 110.739 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 20' ' ' CYS . . . . . . . . . . . . . 11.2 t -83.82 157.19 22.13 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.062 -179.335 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 21' ' ' ASN . . . . . . . . . . . . . 5.3 m120 . . . . . 0 C--O 1.246 0.87 0 CA-C-O 118.8 -0.619 . . . . 0.0 109.932 179.627 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' F' F ' 1' ' ' PHE . . . . . . . . . . . . . 3.9 p90 . . . . . 0 N--CA 1.48 1.065 0 CA-C-O 121.751 0.786 . . . . 0.0 110.816 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' F' F ' 2' ' ' VAL . . . . . 0.421 HG11 ' O ' ' A' ' 7' ' ' CYS . 5.5 p -125.96 87.61 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 121.81 0.814 . . . . 0.0 110.744 -179.472 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' F' F ' 3' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -166.46 -57.39 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.203 -179.487 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 4' ' ' GLN . . . . . 0.748 ' HG3' HG11 ' E' ' 3' ' ' VAL . 43.8 tt0 -51.47 -37.67 50.07 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' F' F ' 5' ' ' HIS . . . . . 0.577 ' CE1' ' HA ' ' H' ' 17' ' ' LEU . 26.9 t60 -82.86 -6.67 59.55 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 113.239 0.829 . . . . 0.0 113.239 -177.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' F' F ' 6' ' ' LEU . . . . . . . . . . . . . 13.9 mt -117.97 -41.22 2.91 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 121.703 0.763 . . . . 0.0 110.426 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 7' ' ' CYS . . . . . 0.534 ' SG ' HD21 ' F' ' 11' ' ' LEU . 15.9 t -68.51 -40.6 80.78 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.773 -1.103 . . . . 0.0 110.508 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' F' F ' 8' ' ' GLY . . . . . 0.507 ' O ' HG22 ' F' ' 12' ' ' VAL . . . -52.13 -34.86 40.42 Favored Glycine 0 C--N 1.337 0.635 0 CA-C-N 116.023 -0.535 . . . . 0.0 113.099 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' F' F ' 9' ' ' SER . . . . . 0.671 ' HB2' ' HG3' ' H' ' 13' ' ' GLU . 0.0 OUTLIER -58.33 -28.93 65.53 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 122.838 0.455 . . . . 0.0 111.996 -179.755 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' F' F ' 10' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -94.74 -21.85 18.48 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.953 -179.423 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 11' ' ' LEU . . . . . 0.813 HD23 ' H3 ' ' E' ' 22' ' ' IPH . 9.0 mt -70.78 -39.13 73.35 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 177.534 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' F' F ' 12' ' ' VAL . . . . . 0.534 ' HA ' HD12 ' F' ' 15' ' ' LEU . 14.4 m -73.68 -34.34 40.98 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.786 179.388 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' F' F ' 13' ' ' GLU . . . . . 0.657 ' HG3' ' HB2' ' H' ' 9' ' ' SER . 32.6 tt0 -61.35 -36.88 81.42 Favored 'General case' 0 N--CA 1.462 0.159 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 179.252 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' F' F ' 14' ' ' ALA . . . . . 0.478 ' O ' HG23 ' F' ' 18' ' ' VAL . . . -76.92 -32.76 57.6 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.488 178.307 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' F' F ' 15' ' ' LEU . . . . . 0.534 HD12 ' HA ' ' F' ' 12' ' ' VAL . 26.3 mt -58.06 -60.7 3.33 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' F' F ' 16' ' ' TYR . . . . . 0.935 ' HB3' ' HE2' ' F' ' 24' ' ' PHE . 8.0 p90 -72.46 -9.34 58.41 Favored 'General case' 0 N--CA 1.463 0.198 0 C-N-CA 119.94 -0.704 . . . . 0.0 110.389 -179.48 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' F' F ' 17' ' ' LEU . . . . . 0.589 ' HA ' ' CE1' ' H' ' 5' ' ' HIS . 9.4 tt -73.58 -40.85 63.59 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 177.848 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' F' F ' 18' ' ' VAL . . . . . 0.478 HG23 ' O ' ' F' ' 14' ' ' ALA . 76.7 t -74.51 -42.94 49.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.869 178.575 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' F' F ' 19' ' ' CYS . . . . . 0.717 ' HB3' ' HB2' ' F' ' 22' ' ' ARG . 71.3 m -67.57 -41.55 83.98 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.199 -0.91 . . . . 0.0 111.71 -179.522 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' F' F ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.24 -97.18 0.75 Allowed Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.847 -0.692 . . . . 0.0 111.817 -179.286 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 21' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -89.04 -14.44 36.41 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.46 0.648 . . . . 0.0 109.56 179.502 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 22' ' ' ARG . . . . . 0.717 ' HB2' ' HB3' ' F' ' 19' ' ' CYS . 71.5 mtp180 -81.4 160.53 24.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.122 179.272 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' F' F ' 23' ' ' GLY . . . . . 0.706 ' HA2' ' HD2' ' H' ' 28' ' ' PRO . . . -109.23 -170.47 20.61 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.588 -0.815 . . . . 0.0 111.53 179.064 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' F' F ' 24' ' ' PHE . . . . . 0.935 ' HE2' ' HB3' ' F' ' 16' ' ' TYR . 29.7 p90 -160.87 159.41 29.74 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 117.307 0.554 . . . . 0.0 111.247 179.628 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' F' F ' 25' ' ' PHE . . . . . . . . . . . . . 15.5 m-30 -104.49 107.73 18.81 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 179.062 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 26' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -107.55 99.67 9.15 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.265 0.555 . . . . 0.0 111.971 -178.705 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 27' ' ' THR . . . . . 0.657 ' HA ' ' HA3' ' H' ' 23' ' ' GLY . 4.5 m -118.73 99.3 51.3 Favored Pre-proline 0 C--N 1.315 -0.899 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 177.698 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' F' F ' 28' ' ' PRO . . . . . 0.697 ' HD2' ' HA2' ' H' ' 23' ' ' GLY . 32.1 Cg_endo -64.59 -113.79 0.0 OUTLIER 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.833 2.355 . . . . 0.0 112.638 -178.35 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' F' F ' 29' ' ' LYS . . . . . 0.479 ' H ' ' HB2' ' F' ' 28' ' ' PRO . 76.8 tttt 72.25 -41.04 0.49 Allowed 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 123.175 0.59 . . . . 0.0 110.861 -179.722 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' F' F ' 30' ' ' THR . . . . . 0.42 ' H ' ' C ' ' F' ' 28' ' ' PRO . 41.0 m . . . . . 0 C--O 1.253 1.273 0 CA-C-O 117.846 -1.073 . . . . 0.0 108.456 178.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.106 0 N-CA-C 111.589 -0.604 . . . . 0.0 111.589 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' G' G ' 2' ' ' ILE . . . . . . . . . . . . . 13.5 tt -66.48 -32.26 57.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 -179.197 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 3' ' ' VAL . . . . . 0.748 HG11 ' HG3' ' H' ' 4' ' ' GLN . 56.6 t -68.63 -56.25 13.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 C-N-CA 121.166 -0.214 . . . . 0.0 111.522 -179.698 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' G' G ' 4' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -69.06 -13.27 62.35 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -179.402 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 5' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -90.1 -37.9 13.92 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.901 179.506 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 6' ' ' CYS . . . . . . . . . . . . . 71.3 m -100.31 -27.47 13.46 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 -177.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 7' ' ' CYS . . . . . 0.438 ' O ' HG11 ' D' ' 2' ' ' VAL . 8.6 t -96.71 40.59 1.13 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.337 0.589 . . . . 0.0 111.186 -179.348 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' G' G ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.72 -50.04 2.09 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 178.161 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' G' G ' 9' ' ' SER . . . . . . . . . . . . . 57.9 m -146.95 16.67 1.22 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.754 178.354 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 10' ' ' ILE . . . . . 0.413 HG23 ' C1 ' ' G' ' 22' ' ' IPH . 2.1 mp 71.67 131.83 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.25 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.795 179.791 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' G' G ' 11' ' ' CYS . . . . . . . . . . . . . 48.2 m -80.5 153.97 27.83 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.64 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 12' ' ' SER . . . . . . . . . . . . . 40.7 t -78.72 162.86 25.87 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.485 178.422 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 13' ' ' LEU . . . . . . . . . . . . . 40.1 tp -56.16 -38.82 71.41 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.093 0.473 . . . . 0.0 110.865 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -75.92 -14.38 60.25 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.166 -179.185 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -86.87 -40.49 14.84 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.997 0.427 . . . . 0.0 110.49 179.343 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 16' ' ' LEU . . . . . . . . . . . . . 56.1 mt -66.94 -33.69 76.14 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.504 -179.623 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 17' ' ' GLU . . . . . . . . . . . . . 65.2 tt0 -67.05 -16.21 64.2 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.198 -179.599 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 18' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -69.4 -20.48 63.81 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.772 0.32 . . . . 0.0 110.626 179.212 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 19' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -100.12 -1.54 36.47 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.486 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 20' ' ' CYS . . . . . . . . . . . . . 11.3 t -83.92 156.64 22.26 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.017 -179.345 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 21' ' ' ASN . . . . . . . . . . . . . 6.1 m120 . . . . . 0 C--O 1.246 0.911 0 CA-C-O 118.702 -0.666 . . . . 0.0 110.112 179.76 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' H' H ' 1' ' ' PHE . . . . . . . . . . . . . 3.5 p90 . . . . . 0 N--CA 1.48 1.049 0 CA-C-O 121.786 0.803 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' H' H ' 2' ' ' VAL . . . . . 0.453 HG11 ' O ' ' K' ' 7' ' ' CYS . 5.7 p -123.18 90.19 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.723 0.773 . . . . 0.0 110.607 -179.632 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' H' H ' 3' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -168.76 -58.11 0.02 OUTLIER 'General case' 0 C--O 1.217 -0.622 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.145 -179.45 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' H' H ' 4' ' ' GLN . . . . . 0.748 ' HG3' HG11 ' G' ' 3' ' ' VAL . 43.8 tt0 -51.22 -37.71 48.44 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' H' H ' 5' ' ' HIS . . . . . 0.589 ' CE1' ' HA ' ' F' ' 17' ' ' LEU . 27.5 t60 -83.11 -6.3 59.43 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 -177.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' H' H ' 6' ' ' LEU . . . . . . . . . . . . . 13.2 mt -118.33 -40.85 2.89 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 121.591 0.71 . . . . 0.0 110.389 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' H' H ' 7' ' ' CYS . . . . . 0.503 ' SG ' HD21 ' H' ' 11' ' ' LEU . 16.3 t -68.92 -40.27 79.18 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 114.81 -1.086 . . . . 0.0 110.621 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' H' H ' 8' ' ' GLY . . . . . 0.532 ' O ' HG22 ' H' ' 12' ' ' VAL . . . -52.65 -34.0 42.77 Favored Glycine 0 C--N 1.337 0.591 0 CA-C-N 116.012 -0.54 . . . . 0.0 113.094 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' H' H ' 9' ' ' SER . . . . . 0.657 ' HB2' ' HG3' ' F' ' 13' ' ' GLU . 0.0 OUTLIER -58.66 -28.99 66.24 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 122.884 0.474 . . . . 0.0 111.837 -179.912 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' H' H ' 10' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -95.01 -21.81 18.35 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.885 -179.476 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' H' H ' 11' ' ' LEU . . . . . 0.821 HD23 ' H3 ' ' G' ' 22' ' ' IPH . 9.0 mt -70.63 -39.07 73.93 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 107.537 -1.283 . . . . 0.0 107.537 177.433 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' H' H ' 12' ' ' VAL . . . . . 0.532 HG22 ' O ' ' H' ' 8' ' ' GLY . 14.9 m -73.72 -34.0 39.74 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.921 179.399 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' H' H ' 13' ' ' GLU . . . . . 0.671 ' HG3' ' HB2' ' F' ' 9' ' ' SER . 33.4 tt0 -61.86 -36.65 81.87 Favored 'General case' 0 C--N 1.34 0.196 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 179.248 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' H' H ' 14' ' ' ALA . . . . . 0.476 ' O ' HG23 ' H' ' 18' ' ' VAL . . . -76.89 -32.74 57.65 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.602 178.105 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' H' H ' 15' ' ' LEU . . . . . 0.519 HD12 ' HA ' ' H' ' 12' ' ' VAL . 25.0 mt -58.19 -60.56 3.57 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -179.671 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' H' H ' 16' ' ' TYR . . . . . 0.944 ' HB3' ' HE2' ' H' ' 24' ' ' PHE . 8.2 p90 -72.52 -9.5 58.63 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.03 -0.668 . . . . 0.0 110.511 -179.488 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' H' H ' 17' ' ' LEU . . . . . 0.577 ' HA ' ' CE1' ' F' ' 5' ' ' HIS . 9.7 tt -73.42 -39.82 64.74 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 177.837 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' H' H ' 18' ' ' VAL . . . . . 0.476 HG23 ' O ' ' H' ' 14' ' ' ALA . 66.9 t -76.08 -43.25 38.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.364 -0.834 . . . . 0.0 109.665 178.455 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' H' H ' 19' ' ' CYS . . . . . 0.696 ' HB3' ' HB2' ' H' ' 22' ' ' ARG . 71.0 m -66.19 -42.25 89.09 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.441 -0.799 . . . . 0.0 111.475 -179.684 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' H' H ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.93 -96.12 0.76 Allowed Glycine 0 CA--C 1.505 -0.572 0 C-N-CA 120.769 -0.729 . . . . 0.0 111.924 -179.533 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' H' H ' 21' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -90.31 -14.52 33.03 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-O 121.414 0.626 . . . . 0.0 109.505 179.435 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' H' H ' 22' ' ' ARG . . . . . 0.696 ' HB2' ' HB3' ' H' ' 19' ' ' CYS . 70.0 mtp180 -81.62 161.42 23.48 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.228 -0.897 . . . . 0.0 110.003 179.504 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' H' H ' 23' ' ' GLY . . . . . 0.697 ' HA2' ' HD2' ' F' ' 28' ' ' PRO . . . -109.75 -170.3 20.2 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.665 -0.779 . . . . 0.0 111.298 178.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' H' H ' 24' ' ' PHE . . . . . 0.944 ' HE2' ' HB3' ' H' ' 16' ' ' TYR . 29.6 p90 -161.02 158.88 28.63 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 117.367 0.583 . . . . 0.0 111.39 179.738 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' H' H ' 25' ' ' PHE . . . . . . . . . . . . . 15.5 m-30 -103.68 109.62 21.39 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 178.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' H' H ' 26' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -109.38 98.72 8.08 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.051 0.453 . . . . 0.0 111.814 -178.584 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' H' H ' 27' ' ' THR . . . . . 0.675 ' HA ' ' HA3' ' F' ' 23' ' ' GLY . 6.2 m -118.04 99.46 51.94 Favored Pre-proline 0 C--N 1.315 -0.928 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 177.813 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' H' H ' 28' ' ' PRO . . . . . 0.706 ' HD2' ' HA2' ' F' ' 23' ' ' GLY . 29.4 Cg_endo -64.06 -113.62 0.0 OUTLIER 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 123.065 2.51 . . . . 0.0 112.726 -178.241 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' H' H ' 29' ' ' LYS . . . . . 0.432 ' H ' ' HB2' ' H' ' 28' ' ' PRO . 75.4 tttt 71.98 -42.71 0.54 Allowed 'General case' 0 N--CA 1.467 0.375 0 C-N-CA 123.019 0.528 . . . . 0.0 110.761 -179.683 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' H' H ' 30' ' ' THR . . . . . . . . . . . . . 59.8 m . . . . . 0 C--O 1.251 1.179 0 CA-C-O 117.915 -1.04 . . . . 0.0 108.787 178.864 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' I' I ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.571 0 N-CA-C 111.447 -0.661 . . . . 0.0 111.447 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' I' I ' 2' ' ' ILE . . . . . . . . . . . . . 13.4 tt -67.35 -32.49 57.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 116.795 0.297 . . . . 0.0 111.8 -178.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 3' ' ' VAL . . . . . 0.718 HG11 ' HG3' ' J' ' 4' ' ' GLN . 54.8 t -68.05 -57.49 9.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.64 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' I' I ' 4' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -68.42 -13.72 62.49 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -179.313 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 5' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -89.14 -38.03 14.62 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.944 179.448 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 6' ' ' CYS . . . . . . . . . . . . . 71.6 m -100.82 -26.65 13.69 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.404 0.89 . . . . 0.0 113.404 -177.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 7' ' ' CYS . . . . . 0.443 ' O ' HG11 ' B' ' 2' ' ' VAL . 8.5 t -97.17 40.26 1.15 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.465 0.65 . . . . 0.0 111.261 -179.446 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' I' I ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.45 -48.68 2.18 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.327 178.312 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' I' I ' 9' ' ' SER . . . . . . . . . . . . . 74.8 m -148.34 15.86 1.02 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.627 178.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 10' ' ' ILE . . . . . 0.411 HG23 ' C1 ' ' I' ' 22' ' ' IPH . 2.1 mp 72.12 132.51 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.828 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' I' I ' 11' ' ' CYS . . . . . . . . . . . . . 38.9 m -81.14 155.15 26.37 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.558 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 12' ' ' SER . . . . . . . . . . . . . 43.7 t -79.6 163.29 24.73 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.49 178.458 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 13' ' ' LEU . . . . . . . . . . . . . 38.3 tp -56.43 -38.46 71.62 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.137 0.494 . . . . 0.0 110.96 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -75.64 -17.39 60.01 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.838 -0.619 . . . . 0.0 112.058 -179.358 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -83.54 -41.08 18.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.89 0.376 . . . . 0.0 110.684 179.198 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 16' ' ' LEU . . . . . . . . . . . . . 55.6 mt -66.34 -34.07 77.14 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.601 -179.485 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 17' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -66.81 -15.72 63.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.185 -179.659 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 18' ' ' ASN . . . . . . . . . . . . . 26.2 m120 -70.16 -18.97 63.22 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.838 0.352 . . . . 0.0 110.698 179.278 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 19' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -101.36 -2.59 30.59 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.239 0.543 . . . . 0.0 110.178 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 20' ' ' CYS . . . . . . . . . . . . . 11.3 t -82.77 155.18 24.38 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.112 -179.233 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 21' ' ' ASN . . . . . . . . . . . . . 5.0 m120 . . . . . 0 C--O 1.246 0.879 0 CA-C-O 118.427 -0.797 . . . . 0.0 110.59 179.798 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' J' J ' 1' ' ' PHE . . . . . . . . . . . . . 3.8 p90 . . . . . 0 N--CA 1.483 1.181 0 CA-C-O 121.681 0.753 . . . . 0.0 111.256 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' J' J ' 2' ' ' VAL . . . . . 0.451 HG11 ' O ' ' E' ' 7' ' ' CYS . 5.6 p -124.94 88.38 1.27 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 CA-C-O 121.945 0.879 . . . . 0.0 111.069 -179.758 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' J' J ' 3' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -167.09 -57.44 0.03 OUTLIER 'General case' 0 C--O 1.215 -0.728 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.267 -179.411 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' J' J ' 4' ' ' GLN . . . . . 0.718 ' HG3' HG11 ' I' ' 3' ' ' VAL . 43.7 tt0 -51.89 -36.61 49.33 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.942 0.401 . . . . 0.0 112.009 -179.633 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' J' J ' 5' ' ' HIS . . . . . 0.577 ' CE1' ' HA ' ' L' ' 17' ' ' LEU . 27.4 t60 -84.13 -5.65 59.28 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 -178.034 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' J' J ' 6' ' ' LEU . . . . . . . . . . . . . 13.5 mt -118.56 -42.05 2.78 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.703 0.763 . . . . 0.0 110.356 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' J' J ' 7' ' ' CYS . . . . . 0.52 ' SG ' HD21 ' J' ' 11' ' ' LEU . 15.6 t -67.95 -40.24 83.27 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.753 -1.112 . . . . 0.0 110.689 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' J' J ' 8' ' ' GLY . . . . . 0.522 ' O ' HG22 ' J' ' 12' ' ' VAL . . . -52.53 -34.71 43.27 Favored Glycine 0 C--N 1.336 0.545 0 CA-C-N 115.946 -0.57 . . . . 0.0 113.001 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' J' J ' 9' ' ' SER . . . . . 0.656 ' HB2' ' HG3' ' L' ' 13' ' ' GLU . 0.0 OUTLIER -58.3 -29.37 65.81 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 122.895 0.478 . . . . 0.0 111.852 179.922 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' J' J ' 10' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -94.41 -21.96 18.6 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.666 -0.414 . . . . 0.0 111.013 -179.377 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' J' J ' 11' ' ' LEU . . . . . 0.792 HD23 ' H3 ' ' I' ' 22' ' ' IPH . 9.2 mt -70.47 -39.26 74.34 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 177.509 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' J' J ' 12' ' ' VAL . . . . . 0.527 ' HA ' HD12 ' J' ' 15' ' ' LEU . 14.4 m -73.75 -33.73 38.75 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.12 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.775 179.468 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' J' J ' 13' ' ' GLU . . . . . 0.66 ' HG3' ' HB2' ' L' ' 9' ' ' SER . 33.0 tt0 -61.99 -36.97 83.1 Favored 'General case' 0 C--N 1.34 0.166 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 179.119 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' J' J ' 14' ' ' ALA . . . . . 0.477 ' O ' HG23 ' J' ' 18' ' ' VAL . . . -76.56 -32.8 58.41 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.705 178.24 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' J' J ' 15' ' ' LEU . . . . . 0.527 HD12 ' HA ' ' J' ' 12' ' ' VAL . 25.9 mt -58.21 -60.59 3.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.973 -179.717 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' J' J ' 16' ' ' TYR . . . . . 0.929 ' HB3' ' HE2' ' J' ' 24' ' ' PHE . 7.8 p90 -72.48 -9.08 58.11 Favored 'General case' 0 N--CA 1.462 0.149 0 C-N-CA 119.903 -0.719 . . . . 0.0 110.539 -179.522 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' J' J ' 17' ' ' LEU . . . . . 0.551 ' HA ' ' CE1' ' L' ' 5' ' ' HIS . 9.7 tt -73.73 -39.91 63.94 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 177.83 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' J' J ' 18' ' ' VAL . . . . . 0.477 HG23 ' O ' ' J' ' 14' ' ' ALA . 67.6 t -75.71 -43.67 40.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.177 -0.92 . . . . 0.0 109.799 178.485 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' J' J ' 19' ' ' CYS . . . . . 0.691 ' HB3' ' HB2' ' J' ' 22' ' ' ARG . 71.9 m -66.57 -40.5 89.0 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.911 -179.6 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' J' J ' 20' ' ' GLY . . . . . . . . . . . . . . . 70.96 -97.12 0.63 Allowed Glycine 0 CA--C 1.508 -0.401 0 C-N-CA 120.862 -0.685 . . . . 0.0 111.83 -179.479 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' J' J ' 21' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -89.1 -13.93 37.42 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 121.438 0.637 . . . . 0.0 109.629 179.521 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' J' J ' 22' ' ' ARG . . . . . 0.691 ' HB2' ' HB3' ' J' ' 19' ' ' CYS . 71.4 mtp180 -82.19 160.73 22.97 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.97 179.4 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' J' J ' 23' ' ' GLY . . . . . 0.701 ' HA2' ' HD2' ' L' ' 28' ' ' PRO . . . -109.01 -170.84 20.81 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.739 -0.743 . . . . 0.0 111.257 179.027 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' J' J ' 24' ' ' PHE . . . . . 0.929 ' HE2' ' HB3' ' J' ' 16' ' ' TYR . 29.3 p90 -160.65 159.54 30.49 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 117.287 0.543 . . . . 0.0 111.118 179.681 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' J' J ' 25' ' ' PHE . . . . . . . . . . . . . 15.3 m-30 -104.09 110.74 23.03 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 178.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' J' J ' 26' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -110.28 98.85 8.0 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.11 0.481 . . . . 0.0 111.721 -178.666 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' J' J ' 27' ' ' THR . . . . . 0.659 ' HA ' ' HA3' ' L' ' 23' ' ' GLY . 5.6 m -118.31 99.44 51.68 Favored Pre-proline 0 C--N 1.315 -0.918 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 177.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' J' J ' 28' ' ' PRO . . . . . 0.712 ' HD2' ' HA2' ' L' ' 23' ' ' GLY . 30.0 Cg_endo -64.52 -114.14 0.0 OUTLIER 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.938 2.425 . . . . 0.0 112.549 -178.403 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' J' J ' 29' ' ' LYS . . . . . 0.46 ' H ' ' HB2' ' J' ' 28' ' ' PRO . 76.2 tttt 72.14 -42.17 0.53 Allowed 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 122.989 0.516 . . . . 0.0 110.845 -179.549 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' J' J ' 30' ' ' THR . . . . . 0.406 ' H ' ' C ' ' J' ' 28' ' ' PRO . 29.7 m . . . . . 0 C--O 1.251 1.182 0 CA-C-O 117.95 -1.024 . . . . 0.0 108.792 178.761 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.573 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' K' K ' 2' ' ' ILE . . . . . . . . . . . . . 14.2 tt -66.74 -32.4 57.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 111.714 0.264 . . . . 0.0 111.714 -179.492 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' K' K ' 3' ' ' VAL . . . . . 0.746 HG11 ' HG3' ' L' ' 4' ' ' GLN . 52.5 t -68.38 -56.65 11.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 C-N-CA 120.999 -0.28 . . . . 0.0 111.634 -179.778 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' K' K ' 4' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -68.99 -12.45 61.69 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -179.323 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' K' K ' 5' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -90.32 -38.66 13.22 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.929 0.395 . . . . 0.0 110.797 179.555 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' K' K ' 6' ' ' CYS . . . . . . . . . . . . . 71.2 m -99.57 -28.46 13.2 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 113.38 0.882 . . . . 0.0 113.38 -178.111 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' K' K ' 7' ' ' CYS . . . . . 0.453 ' O ' HG11 ' H' ' 2' ' ' VAL . 8.4 t -95.95 40.24 1.12 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.382 0.61 . . . . 0.0 111.395 -179.261 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' K' K ' 8' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -121.54 -49.65 2.13 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 178.083 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' K' K ' 9' ' ' SER . . . . . . . . . . . . . 75.1 m -147.61 17.33 1.15 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.734 178.586 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' K' K ' 10' ' ' ILE . . . . . 0.416 HG23 ' C1 ' ' K' ' 22' ' ' IPH . 2.0 mp 71.08 132.89 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 CA-C-N 115.07 -0.968 . . . . 0.0 111.776 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' K' K ' 11' ' ' CYS . . . . . . . . . . . . . 41.2 m -81.73 154.37 26.06 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.551 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' K' K ' 12' ' ' SER . . . . . . . . . . . . . 34.8 t -79.48 161.98 25.72 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.56 178.505 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' K' K ' 13' ' ' LEU . . . . . . . . . . . . . 42.1 tp -55.41 -37.64 67.88 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.099 0.476 . . . . 0.0 111.135 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -76.74 -16.8 59.39 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.856 -179.148 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -84.25 -41.21 17.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.993 0.425 . . . . 0.0 110.502 179.397 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' K' K ' 16' ' ' LEU . . . . . . . . . . . . . 59.4 mt -66.16 -34.16 77.42 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.722 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' K' K ' 17' ' ' GLU . . . . . . . . . . . . . 63.0 tt0 -67.39 -15.78 63.87 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.949 -0.3 . . . . 0.0 111.158 -179.305 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' K' K ' 18' ' ' ASN . . . . . . . . . . . . . 26.6 m120 -69.66 -20.09 63.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.812 0.339 . . . . 0.0 110.735 179.016 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' K' K ' 19' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -100.38 -1.13 36.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.033 0.444 . . . . 0.0 110.358 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' K' K ' 20' ' ' CYS . . . . . . . . . . . . . 11.5 t -84.03 156.86 22.03 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.041 -179.284 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' K' K ' 21' ' ' ASN . . . . . . . . . . . . . 5.3 m120 . . . . . 0 C--O 1.248 0.975 0 CA-C-O 118.726 -0.654 . . . . 0.0 109.871 179.461 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' L' L ' 1' ' ' PHE . . . . . . . . . . . . . 3.2 p90 . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 121.885 0.85 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' L' L ' 2' ' ' VAL . . . . . 0.426 HG11 ' O ' ' C' ' 7' ' ' CYS . 6.0 p -121.74 91.05 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.882 0.848 . . . . 0.0 110.806 -179.625 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' L' L ' 3' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -169.35 -58.07 0.02 OUTLIER 'General case' 0 C--O 1.216 -0.681 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.215 -179.611 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' L' L ' 4' ' ' GLN . . . . . 0.746 ' HG3' HG11 ' K' ' 3' ' ' VAL . 45.3 tt0 -51.48 -37.15 47.52 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.97 0.414 . . . . 0.0 112.083 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' L' L ' 5' ' ' HIS . . . . . 0.551 ' CE1' ' HA ' ' J' ' 17' ' ' LEU . 26.4 t60 -83.66 -5.89 59.3 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 113.214 0.82 . . . . 0.0 113.214 -177.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' L' L ' 6' ' ' LEU . . . . . . . . . . . . . 14.1 mt -119.04 -40.33 2.85 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-O 121.707 0.765 . . . . 0.0 110.33 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' L' L ' 7' ' ' CYS . . . . . 0.532 ' SG ' HD21 ' L' ' 11' ' ' LEU . 17.1 t -69.37 -40.26 77.54 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.805 -1.089 . . . . 0.0 110.61 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' L' L ' 8' ' ' GLY . . . . . 0.516 ' O ' HG22 ' L' ' 12' ' ' VAL . . . -52.68 -34.27 43.48 Favored Glycine 0 C--N 1.334 0.469 0 CA-C-N 115.923 -0.58 . . . . 0.0 113.049 179.775 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' L' L ' 9' ' ' SER . . . . . 0.66 ' HB2' ' HG3' ' J' ' 13' ' ' GLU . 0.0 OUTLIER -58.64 -29.26 66.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.072 0.463 . . . . 0.0 111.879 -179.936 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' L' L ' 10' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -94.22 -22.6 18.31 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.085 -179.553 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' L' L ' 11' ' ' LEU . . . . . 0.8 HD23 ' H3 ' ' K' ' 22' ' ' IPH . 8.9 mt -70.06 -39.15 75.85 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 107.602 -1.258 . . . . 0.0 107.602 177.598 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' L' L ' 12' ' ' VAL . . . . . 0.516 HG22 ' O ' ' L' ' 8' ' ' GLY . 15.1 m -73.48 -34.31 42.24 Favored 'Isoleucine or valine' 0 C--O 1.232 0.184 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.963 179.402 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' L' L ' 13' ' ' GLU . . . . . 0.656 ' HG3' ' HB2' ' J' ' 9' ' ' SER . 33.0 tt0 -61.54 -36.74 81.46 Favored 'General case' 0 C--N 1.34 0.166 0 N-CA-C 108.582 -0.895 . . . . 0.0 108.582 179.278 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' L' L ' 14' ' ' ALA . . . . . 0.467 ' O ' HG23 ' L' ' 18' ' ' VAL . . . -76.87 -33.39 57.86 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.502 178.241 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' L' L ' 15' ' ' LEU . . . . . 0.511 HD12 ' HA ' ' L' ' 12' ' ' VAL . 27.9 mt -57.25 -60.77 3.13 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' L' L ' 16' ' ' TYR . . . . . 0.934 ' HB3' ' HE2' ' L' ' 24' ' ' PHE . 8.2 p90 -72.45 -9.34 58.41 Favored 'General case' 0 C--N 1.333 -0.114 0 C-N-CA 120.078 -0.649 . . . . 0.0 110.627 -179.434 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' L' L ' 17' ' ' LEU . . . . . 0.577 ' HA ' ' CE1' ' J' ' 5' ' ' HIS . 9.8 tt -74.08 -38.39 63.93 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 177.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' L' L ' 18' ' ' VAL . . . . . 0.467 HG23 ' O ' ' L' ' 14' ' ' ALA . 73.5 t -77.4 -42.23 30.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.362 -0.836 . . . . 0.0 109.646 178.683 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' L' L ' 19' ' ' CYS . . . . . 0.714 ' HB3' ' HB2' ' L' ' 22' ' ' ARG . 70.9 m -68.06 -40.2 82.84 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.708 -179.5 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' L' L ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.13 -96.06 0.6 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.009 -179.351 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' L' L ' 21' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -90.12 -14.43 33.69 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-O 121.46 0.648 . . . . 0.0 109.553 179.543 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' L' L ' 22' ' ' ARG . . . . . 0.714 ' HB2' ' HB3' ' L' ' 19' ' ' CYS . 70.9 mtp180 -81.74 160.62 23.58 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.026 179.35 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' L' L ' 23' ' ' GLY . . . . . 0.712 ' HA2' ' HD2' ' J' ' 28' ' ' PRO . . . -108.75 -169.97 20.95 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.725 -0.75 . . . . 0.0 111.259 179.052 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' L' L ' 24' ' ' PHE . . . . . 0.934 ' HE2' ' HB3' ' L' ' 16' ' ' TYR . 28.8 p90 -161.3 159.27 28.31 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 117.351 0.575 . . . . 0.0 111.005 179.572 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' L' L ' 25' ' ' PHE . . . . . . . . . . . . . 15.6 m-30 -104.27 108.13 19.37 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 179.094 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' L' L ' 26' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -107.8 99.53 8.99 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.305 0.574 . . . . 0.0 111.93 -178.627 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' L' L ' 27' ' ' THR . . . . . 0.652 ' HA ' ' HA3' ' J' ' 23' ' ' GLY . 4.7 m -118.6 99.8 51.33 Favored Pre-proline 0 C--N 1.315 -0.908 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 177.705 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' L' L ' 28' ' ' PRO . . . . . 0.701 ' HD2' ' HA2' ' J' ' 23' ' ' GLY . 32.0 Cg_endo -65.33 -114.74 0.0 OUTLIER 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.939 2.426 . . . . 0.0 112.407 -178.178 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' L' L ' 29' ' ' LYS . . . . . 0.474 ' H ' ' HB2' ' L' ' 28' ' ' PRO . 76.7 tttt 72.63 -40.36 0.47 Allowed 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 123.002 0.521 . . . . 0.0 110.784 -179.709 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' L' L ' 30' ' ' THR . . . . . 0.419 ' H ' ' C ' ' L' ' 28' ' ' PRO . 39.8 m . . . . . 0 C--O 1.251 1.164 0 CA-C-O 117.844 -1.074 . . . . 0.0 108.325 178.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' IPH . . . . . 0.811 ' H3 ' HD23 ' B' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 22' ' ' IPH . . . . . 0.814 ' H3 ' HD23 ' D' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 22' ' ' IPH . . . . . 0.813 ' H3 ' HD23 ' F' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 22' ' ' IPH . . . . . 0.821 ' H3 ' HD23 ' H' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 22' ' ' IPH . . . . . 0.792 ' H3 ' HD23 ' J' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' K' K ' 22' ' ' IPH . . . . . 0.8 ' H3 ' HD23 ' L' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.773 0 N-CA-C 111.613 -0.595 . . . . 0.0 111.613 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.424 ' HB ' ' CE1' ' A' ' 19' ' ' TYR . 7.2 tt -59.08 -40.9 81.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.8 0.333 . . . . 0.0 111.531 -179.379 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.489 HG21 ' HA ' ' B' ' 28' ' ' PRO . 40.8 t -62.1 -28.69 44.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.221 -179.68 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -76.14 -73.18 0.28 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.874 0.369 . . . . 0.0 111.225 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.501 ' HA ' HG22 ' A' ' 8' ' ' THR . 16.5 pt20 -50.76 -46.14 59.29 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 113.215 0.82 . . . . 0.0 113.215 -178.368 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 84.6 m -71.11 -24.92 62.38 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 -178.111 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.559 ' HB2' HD11 ' B' ' 11' ' ' LEU . 8.9 t -107.69 18.64 21.16 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.454 -0.498 . . . . 0.0 111.192 -179.746 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.501 HG22 ' HA ' ' A' ' 5' ' ' GLN . 13.4 t -120.65 -43.54 2.48 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.35 178.773 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.472 ' O ' ' HB ' ' A' ' 10' ' ' ILE . 58.1 m -143.87 19.35 1.8 Allowed 'General case' 0 CA--C 1.529 0.173 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 179.247 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.949 HG13 HG12 ' F' ' 2' ' ' VAL . 57.6 mt 72.12 141.6 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 CA-C-O 121.269 0.557 . . . . 0.0 111.98 178.504 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 96.8 m -106.2 149.65 26.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.454 179.174 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 28.8 t -77.4 157.85 30.36 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 178.705 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.477 HD21 HD21 ' G' ' 13' ' ' LEU . 58.8 tp -52.49 -46.66 66.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.329 -179.744 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -63.61 -33.1 74.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.581 -179.49 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.54 ' O ' ' HB3' ' A' ' 18' ' ' ASN . 87.8 mt-30 -70.72 -37.02 73.47 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 179.097 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 87.8 mt -69.34 -39.67 78.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.619 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.472 ' HG3' ' O ' ' A' ' 13' ' ' LEU . 33.6 mt-10 -61.98 -27.07 68.59 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.144 0.497 . . . . 0.0 110.268 179.272 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.54 ' HB3' ' O ' ' A' ' 15' ' ' GLN . 10.9 t30 -61.32 -27.59 68.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.783 179.34 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.424 ' CE1' ' HB ' ' A' ' 2' ' ' ILE . 82.7 m-85 -95.88 -86.32 0.31 Allowed 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 178.788 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 16.0 t 54.4 -114.06 0.84 Allowed 'General case' 0 CA--C 1.532 0.281 0 O-C-N 123.847 0.717 . . . . 0.0 110.681 179.497 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.637 ' HB2' ' HA ' ' B' ' 24' ' ' PHE . 13.3 t30 . . . . . 0 C--O 1.245 0.827 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 179.108 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 2.7 p90 . . . . . 0 N--CA 1.48 1.072 0 CA-C-O 121.623 0.725 . . . . 0.0 111.447 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.976 HG12 HG13 ' I' ' 10' ' ' ILE . 16.3 m -130.53 97.51 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.701 0.763 . . . . 0.0 110.352 179.532 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 3' ' ' ASN . . . . . 0.54 ' O ' ' HB3' ' B' ' 7' ' ' CYS . 42.0 t30 -157.01 -52.81 0.08 Allowed 'General case' 0 C--O 1.217 -0.651 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.05 -179.409 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -58.78 -39.01 79.77 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.257 179.02 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' HIS . . . . . 0.716 ' HA ' ' HE1' ' D' ' 16' ' ' TYR . 7.9 t60 -77.23 -27.03 53.24 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.452 -179.388 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.632 HD13 ' HB2' ' J' ' 7' ' ' CYS . 36.5 mt -89.23 -60.5 1.93 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.694 0.759 . . . . 0.0 110.552 -179.076 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 7' ' ' CYS . . . . . 0.628 ' HB2' HD13 ' F' ' 6' ' ' LEU . 0.0 OUTLIER -61.8 -48.03 82.45 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 114.534 -1.212 . . . . 0.0 110.948 179.752 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 8' ' ' GLY . . . . . 0.7 ' HA2' ' HG ' ' B' ' 11' ' ' LEU . . . -59.41 -30.27 67.8 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 121.169 -0.539 . . . . 0.0 112.612 179.733 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 9' ' ' SER . . . . . 0.456 ' OG ' ' HG3' ' D' ' 13' ' ' GLU . 0.3 OUTLIER -69.39 -10.23 57.05 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.941 0.401 . . . . 0.0 110.749 179.61 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -117.5 -9.15 10.89 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-O 120.766 0.317 . . . . 0.0 111.242 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.7 ' HG ' ' HA2' ' B' ' 8' ' ' GLY . 35.4 mt -69.23 -30.4 68.54 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 107.09 -1.448 . . . . 0.0 107.09 177.059 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.619 ' HB ' ' CZ ' ' B' ' 24' ' ' PHE . 10.7 m -68.19 -32.63 56.72 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 CA-C-N 114.596 -1.183 . . . . 0.0 109.89 177.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.457 ' HG3' ' OG ' ' D' ' 9' ' ' SER . 30.0 tt0 -64.45 -33.81 76.73 Favored 'General case' 0 C--O 1.231 0.101 0 N-CA-C 108.949 -0.759 . . . . 0.0 108.949 179.2 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.46 ' CB ' ' H3 ' ' A' ' 22' ' ' IPH . . . -72.5 -48.82 37.47 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.656 177.711 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 95.9 mt -59.16 -35.77 74.11 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.496 0.665 . . . . 0.0 110.014 178.768 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' TYR . . . . . 0.723 ' HE1' ' HA ' ' D' ' 5' ' ' HIS . 2.1 t80 -56.56 -40.49 75.26 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.63 -1.168 . . . . 0.0 110.241 179.702 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.4 ' HG ' ' CB ' ' H' ' 14' ' ' ALA . 4.0 mm? -73.67 -43.93 58.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.524 179.219 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.438 HG23 ' O ' ' B' ' 14' ' ' ALA . 56.9 t -60.55 -47.15 94.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.174 -179.603 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 19' ' ' CYS . . . . . 0.513 ' HB3' ' HB3' ' B' ' 22' ' ' ARG . 78.7 m -80.64 -30.62 36.62 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.66 -179.35 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 20' ' ' GLY . . . . . 0.426 ' HA2' ' HE1' ' D' ' 5' ' ' HIS . . . 73.09 -136.78 23.04 Favored Glycine 0 N--CA 1.447 -0.567 0 N-CA-C 110.329 -1.108 . . . . 0.0 110.329 -178.338 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -85.86 57.25 4.37 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.725 0.774 . . . . 0.0 108.961 178.461 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' ARG . . . . . 0.513 ' HB3' ' HB3' ' B' ' 19' ' ' CYS . 33.4 ttt180 -118.95 -49.33 2.42 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.988 -1.005 . . . . 0.0 110.303 -178.581 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 23' ' ' GLY . . . . . 0.921 ' HA2' ' HD2' ' D' ' 28' ' ' PRO . . . 111.84 178.36 20.08 Favored Glycine 0 N--CA 1.445 -0.721 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.067 -178.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 24' ' ' PHE . . . . . 0.637 ' HA ' ' HB2' ' A' ' 21' ' ' ASN . 1.5 p90 -166.04 165.47 17.87 Favored 'General case' 0 C--O 1.24 0.562 0 CA-C-O 121.054 0.454 . . . . 0.0 110.948 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 12.3 p90 -122.67 126.8 48.33 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 177.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.445 ' CD2' ' HD3' ' B' ' 28' ' ' PRO . 24.6 t80 -129.35 122.69 30.02 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.929 -0.308 . . . . 0.0 110.363 -178.37 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 27' ' ' THR . . . . . 0.449 ' HA ' ' HA3' ' D' ' 23' ' ' GLY . 1.1 p -128.08 78.94 74.67 Favored Pre-proline 0 C--N 1.325 -0.457 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 -178.487 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 28' ' ' PRO . . . . . 0.891 ' HD2' ' HA2' ' D' ' 23' ' ' GLY . 89.0 Cg_endo -81.64 135.88 9.35 Favored 'Trans proline' 0 N--CA 1.461 -0.438 0 C-N-CA 122.539 2.159 . . . . 0.0 110.231 177.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -154.13 125.41 7.4 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 119.863 -0.735 . . . . 0.0 112.344 -178.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 30' ' ' THR . . . . . 0.404 ' H ' ' HB3' ' D' ' 21' ' ' GLU . 1.4 p . . . . . 0 C--O 1.246 0.876 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 177.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.98 0 N-CA-C 112.161 -0.376 . . . . 0.0 112.161 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 2' ' ' ILE . . . . . 0.437 ' HB ' ' CE1' ' C' ' 19' ' ' TYR . 7.3 tt -58.05 -41.67 81.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.048 0.451 . . . . 0.0 111.643 -179.61 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 3' ' ' VAL . . . . . 0.489 HG21 ' HA ' ' D' ' 28' ' ' PRO . 39.8 t -60.62 -31.07 48.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.273 -179.837 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -74.66 -72.82 0.27 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.389 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 5' ' ' GLN . . . . . 0.502 ' HA ' HG22 ' C' ' 8' ' ' THR . 15.9 pt20 -51.58 -43.04 62.33 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 113.475 0.917 . . . . 0.0 113.475 -178.045 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 82.0 m -74.13 -24.54 59.44 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -178.179 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 7' ' ' CYS . . . . . 0.584 ' HB2' HD11 ' D' ' 11' ' ' LEU . 9.5 t -107.87 18.71 20.97 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.954 -179.677 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 8' ' ' THR . . . . . 0.502 HG22 ' HA ' ' C' ' 5' ' ' GLN . 12.3 t -120.3 -43.6 2.51 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.353 178.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 9' ' ' SER . . . . . 0.44 ' O ' ' HB ' ' C' ' 10' ' ' ILE . 63.7 m -144.85 21.13 1.63 Allowed 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 179.162 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 10' ' ' ILE . . . . . 0.936 HG13 HG12 ' L' ' 2' ' ' VAL . 57.0 mt 70.96 141.7 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 CA-C-O 121.352 0.596 . . . . 0.0 112.409 178.342 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 99.4 m -106.62 149.38 27.26 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.08 0.467 . . . . 0.0 110.476 179.011 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 40.9 t -77.21 157.18 31.01 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.507 178.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 13' ' ' LEU . . . . . 0.474 ' O ' ' HG3' ' C' ' 17' ' ' GLU . 58.1 tp -52.01 -46.75 65.08 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.505 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -64.14 -32.58 74.2 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.64 -179.597 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 15' ' ' GLN . . . . . 0.502 ' O ' ' HB3' ' C' ' 18' ' ' ASN . 88.4 mt-30 -70.65 -37.23 73.7 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.11 0.481 . . . . 0.0 109.862 179.145 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 87.9 mt -69.27 -39.41 78.41 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.789 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 17' ' ' GLU . . . . . 0.474 ' HG3' ' O ' ' C' ' 13' ' ' LEU . 40.6 mt-10 -61.78 -28.39 69.42 Favored 'General case' 0 N--CA 1.461 0.095 0 CA-C-O 120.961 0.41 . . . . 0.0 110.337 179.328 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 18' ' ' ASN . . . . . 0.502 ' HB3' ' O ' ' C' ' 15' ' ' GLN . 10.5 t30 -59.97 -28.96 68.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.778 179.699 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 19' ' ' TYR . . . . . 0.437 ' CE1' ' HB ' ' C' ' 2' ' ' ILE . 80.6 m-85 -94.27 -86.15 0.28 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.304 -0.407 . . . . 0.0 109.906 178.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 15.9 t 54.12 -113.33 0.77 Allowed 'General case' 0 CA--C 1.533 0.314 0 O-C-N 123.742 0.651 . . . . 0.0 110.541 179.674 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 21' ' ' ASN . . . . . 0.649 ' HB2' ' HA ' ' D' ' 24' ' ' PHE . 14.1 t30 . . . . . 0 C--O 1.243 0.739 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 179.14 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 2.8 p90 . . . . . 0 N--CA 1.481 1.093 0 CA-C-O 121.395 0.616 . . . . 0.0 111.523 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 2' ' ' VAL . . . . . 0.93 HG12 HG13 ' G' ' 10' ' ' ILE . 16.1 m -131.23 97.35 2.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.681 0.753 . . . . 0.0 110.35 179.336 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 3' ' ' ASN . . . . . 0.534 ' O ' ' HB3' ' D' ' 7' ' ' CYS . 42.4 t30 -156.77 -52.81 0.08 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.129 -179.688 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -58.4 -38.91 78.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.171 179.007 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 5' ' ' HIS . . . . . 0.723 ' HA ' ' HE1' ' B' ' 16' ' ' TYR . 8.6 t60 -77.4 -27.18 52.32 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.585 -179.282 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 6' ' ' LEU . . . . . 0.636 HD13 ' HB2' ' H' ' 7' ' ' CYS . 33.9 mt -89.36 -59.24 2.27 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.61 0.719 . . . . 0.0 110.631 -179.008 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 7' ' ' CYS . . . . . 0.633 ' HB2' HD13 ' L' ' 6' ' ' LEU . 0.0 OUTLIER -63.22 -47.88 80.66 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 114.685 -1.143 . . . . 0.0 110.784 179.916 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' D' D ' 8' ' ' GLY . . . . . 0.702 ' HA2' ' HG ' ' D' ' 11' ' ' LEU . . . -59.6 -29.75 67.44 Favored Glycine 0 C--N 1.331 0.302 0 C-N-CA 121.063 -0.589 . . . . 0.0 112.627 179.676 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 9' ' ' SER . . . . . 0.457 ' OG ' ' HG3' ' B' ' 13' ' ' GLU . 0.3 OUTLIER -69.57 -9.94 56.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.891 0.377 . . . . 0.0 110.776 179.474 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' D' D ' 10' ' ' HIS . . . . . . . . . . . . . 87.5 m-70 -118.07 -9.11 10.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.738 0.304 . . . . 0.0 111.148 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 11' ' ' LEU . . . . . 0.702 ' HG ' ' HA2' ' D' ' 8' ' ' GLY . 36.3 mt -69.24 -30.26 68.35 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 107.117 -1.438 . . . . 0.0 107.117 177.039 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 12' ' ' VAL . . . . . 0.618 ' HB ' ' CZ ' ' D' ' 24' ' ' PHE . 10.7 m -68.47 -32.47 55.51 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 CA-C-N 114.525 -1.216 . . . . 0.0 109.832 177.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 13' ' ' GLU . . . . . 0.456 ' HG3' ' OG ' ' B' ' 9' ' ' SER . 29.5 tt0 -64.4 -33.89 76.9 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 179.132 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 14' ' ' ALA . . . . . 0.454 ' CB ' ' H3 ' ' C' ' 22' ' ' IPH . . . -72.5 -48.84 37.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.696 177.771 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 94.7 mt -59.13 -35.78 74.07 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.429 0.633 . . . . 0.0 109.925 178.689 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 16' ' ' TYR . . . . . 0.716 ' HE1' ' HA ' ' B' ' 5' ' ' HIS . 2.0 t80 -56.28 -40.7 74.69 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.727 -1.124 . . . . 0.0 110.269 179.538 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 17' ' ' LEU . . . . . 0.404 ' HG ' ' CB ' ' J' ' 14' ' ' ALA . 4.1 mm? -73.71 -43.61 58.75 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.098 0.475 . . . . 0.0 110.645 179.122 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 18' ' ' VAL . . . . . 0.442 HG23 ' O ' ' D' ' 14' ' ' ALA . 55.5 t -61.02 -45.54 98.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.351 -179.636 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 19' ' ' CYS . . . . . 0.482 ' HB3' ' HB3' ' D' ' 22' ' ' ARG . 77.2 m -82.88 -28.66 29.87 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.729 -179.352 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 20' ' ' GLY . . . . . 0.445 ' HA2' ' HE1' ' B' ' 5' ' ' HIS . . . 71.24 -136.3 24.96 Favored Glycine 0 N--CA 1.447 -0.591 0 N-CA-C 110.691 -0.963 . . . . 0.0 110.691 -178.607 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 21' ' ' GLU . . . . . 0.404 ' HB3' ' H ' ' B' ' 30' ' ' THR . 22.5 mm-40 -86.31 57.54 4.54 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 178.45 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 22' ' ' ARG . . . . . 0.482 ' HB3' ' HB3' ' D' ' 19' ' ' CYS . 30.8 ttt180 -119.39 -49.65 2.36 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.143 -178.648 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 23' ' ' GLY . . . . . 0.891 ' HA2' ' HD2' ' B' ' 28' ' ' PRO . . . 112.17 178.13 19.94 Favored Glycine 0 N--CA 1.444 -0.785 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.141 -179.144 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 24' ' ' PHE . . . . . 0.649 ' HA ' ' HB2' ' C' ' 21' ' ' ASN . 1.5 p90 -165.99 164.99 18.29 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-O 121.168 0.509 . . . . 0.0 110.93 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 25' ' ' PHE . . . . . 0.4 ' CE1' ' HA ' ' C' ' 21' ' ' ASN . 12.0 p90 -121.95 128.22 51.25 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 177.735 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 26' ' ' TYR . . . . . 0.462 ' CD2' ' HD3' ' D' ' 28' ' ' PRO . 25.3 t80 -130.75 122.28 26.94 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 -178.247 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 27' ' ' THR . . . . . 0.455 ' HA ' ' HA3' ' B' ' 23' ' ' GLY . 1.7 p -127.42 78.39 74.69 Favored Pre-proline 0 C--N 1.326 -0.425 0 N-CA-C 113.451 0.908 . . . . 0.0 113.451 -178.604 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 28' ' ' PRO . . . . . 0.921 ' HD2' ' HA2' ' B' ' 23' ' ' GLY . 86.3 Cg_endo -81.11 135.58 9.82 Favored 'Trans proline' 0 N--CA 1.461 -0.441 0 C-N-CA 122.428 2.085 . . . . 0.0 110.418 177.755 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -153.43 127.05 8.74 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.122 -0.631 . . . . 0.0 112.458 -178.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 C--O 1.246 0.91 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.165 178.319 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.724 0 N-CA-C 111.902 -0.479 . . . . 0.0 111.902 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' E' E ' 2' ' ' ILE . . . . . 0.425 ' HB ' ' CE1' ' E' ' 19' ' ' TYR . 7.4 tt -59.49 -41.55 85.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.959 0.409 . . . . 0.0 111.358 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 3' ' ' VAL . . . . . 0.481 HG21 ' HA ' ' F' ' 28' ' ' PRO . 37.2 t -60.9 -29.66 45.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.057 0.456 . . . . 0.0 111.119 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 4' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -74.94 -73.9 0.22 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.853 0.359 . . . . 0.0 111.071 179.694 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 5' ' ' GLN . . . . . 0.526 ' HA ' HG22 ' E' ' 8' ' ' THR . 16.2 pt20 -51.16 -43.85 61.35 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 -178.359 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 6' ' ' CYS . . . . . . . . . . . . . 80.1 m -73.58 -24.78 60.12 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 -178.256 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 7' ' ' CYS . . . . . 0.586 ' HB2' HD11 ' F' ' 11' ' ' LEU . 9.1 t -107.38 18.65 21.31 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.463 -0.495 . . . . 0.0 111.161 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 8' ' ' THR . . . . . 0.526 HG22 ' HA ' ' E' ' 5' ' ' GLN . 11.8 t -120.46 -43.45 2.5 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.237 178.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 9' ' ' SER . . . . . 0.45 ' O ' ' HB ' ' E' ' 10' ' ' ILE . 47.6 m -145.1 21.65 1.57 Allowed 'General case' 0 C--O 1.233 0.232 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 179.178 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 10' ' ' ILE . . . . . 0.939 HG13 HG12 ' J' ' 2' ' ' VAL . 57.9 mt 70.58 141.2 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 CA-C-O 121.365 0.602 . . . . 0.0 112.407 178.156 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 11' ' ' CYS . . . . . . . . . . . . . 93.5 m -105.37 151.07 24.64 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.382 178.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 12' ' ' SER . . . . . . . . . . . . . 37.0 t -78.93 157.55 28.2 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 178.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 13' ' ' LEU . . . . . 0.471 HD21 HD21 ' K' ' 13' ' ' LEU . 57.9 tp -52.31 -46.77 66.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.876 0.37 . . . . 0.0 111.278 -179.546 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -63.85 -31.98 73.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.775 -179.41 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 15' ' ' GLN . . . . . 0.524 ' O ' ' HB3' ' E' ' 18' ' ' ASN . 88.7 mt-30 -71.56 -37.25 71.09 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.021 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 16' ' ' LEU . . . . . . . . . . . . . 87.0 mt -69.0 -40.14 78.89 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.762 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 17' ' ' GLU . . . . . 0.459 ' HG3' ' O ' ' E' ' 13' ' ' LEU . 38.8 mt-10 -61.31 -28.35 69.14 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.036 0.446 . . . . 0.0 110.312 179.273 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 18' ' ' ASN . . . . . 0.524 ' HB3' ' O ' ' E' ' 15' ' ' GLN . 10.8 t30 -59.13 -30.11 67.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.894 179.23 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 19' ' ' TYR . . . . . 0.425 ' CE1' ' HB ' ' E' ' 2' ' ' ILE . 78.2 m-85 -93.57 -87.14 0.25 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.309 -0.405 . . . . 0.0 109.978 178.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 20' ' ' CYS . . . . . . . . . . . . . 17.6 t 54.98 -113.57 0.8 Allowed 'General case' 0 CA--C 1.532 0.275 0 O-C-N 123.706 0.629 . . . . 0.0 110.521 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 21' ' ' ASN . . . . . 0.617 ' HB2' ' HA ' ' F' ' 24' ' ' PHE . 14.9 t30 . . . . . 0 C--O 1.248 0.977 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 179.308 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 1' ' ' PHE . . . . . . . . . . . . . 2.5 p90 . . . . . 0 N--CA 1.481 1.097 0 CA-C-O 121.426 0.631 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' F' F ' 2' ' ' VAL . . . . . 0.949 HG12 HG13 ' A' ' 10' ' ' ILE . 16.1 m -131.04 97.79 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.888 0.852 . . . . 0.0 110.261 179.596 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' F' F ' 3' ' ' ASN . . . . . 0.552 ' O ' ' HB3' ' F' ' 7' ' ' CYS . 43.2 t30 -157.36 -52.55 0.07 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.272 -0.877 . . . . 0.0 109.111 -179.492 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' F' F ' 4' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -58.88 -38.87 79.79 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.856 0.36 . . . . 0.0 111.201 179.076 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 5' ' ' HIS . . . . . 0.718 ' HA ' ' HE1' ' H' ' 16' ' ' TYR . 8.1 t60 -77.26 -27.61 53.24 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.519 -179.252 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' F' F ' 6' ' ' LEU . . . . . 0.628 HD13 ' HB2' ' B' ' 7' ' ' CYS . 35.6 mt -88.75 -59.69 2.16 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.678 0.751 . . . . 0.0 110.631 -179.084 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' F' F ' 7' ' ' CYS . . . . . 0.626 ' HB2' HD13 ' J' ' 6' ' ' LEU . 0.0 OUTLIER -62.63 -48.23 80.3 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 114.561 -1.2 . . . . 0.0 110.956 179.717 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' F' F ' 8' ' ' GLY . . . . . 0.692 ' HA2' ' HG ' ' F' ' 11' ' ' LEU . . . -59.28 -30.03 66.96 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 121.054 -0.593 . . . . 0.0 112.621 179.687 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' F' F ' 9' ' ' SER . . . . . 0.467 ' OG ' ' HG3' ' H' ' 13' ' ' GLU . 0.3 OUTLIER -69.58 -9.64 54.87 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.975 0.416 . . . . 0.0 110.655 179.605 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' F' F ' 10' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -118.24 -8.94 10.54 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 120.754 0.311 . . . . 0.0 111.128 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 11' ' ' LEU . . . . . 0.692 ' HG ' ' HA2' ' F' ' 8' ' ' GLY . 35.7 mt -69.66 -30.27 67.92 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 107.048 -1.464 . . . . 0.0 107.048 177.051 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' F' F ' 12' ' ' VAL . . . . . 0.617 ' HB ' ' CZ ' ' F' ' 24' ' ' PHE . 10.6 m -68.42 -32.39 55.29 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.321 0 CA-C-N 114.667 -1.151 . . . . 0.0 109.756 177.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' F' F ' 13' ' ' GLU . . . . . 0.473 ' HG3' ' OG ' ' H' ' 9' ' ' SER . 29.9 tt0 -64.42 -33.55 76.12 Favored 'General case' 0 C--N 1.334 -0.092 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 179.136 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' F' F ' 14' ' ' ALA . . . . . 0.463 ' CB ' ' H3 ' ' E' ' 22' ' ' IPH . . . -72.69 -49.06 33.91 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.594 177.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' F' F ' 15' ' ' LEU . . . . . . . . . . . . . 93.8 mt -58.99 -35.64 73.56 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.949 178.672 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 16' ' ' TYR . . . . . 0.713 ' HE1' ' HA ' ' H' ' 5' ' ' HIS . 2.0 t80 -56.72 -40.03 74.96 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 114.861 -1.063 . . . . 0.0 110.22 179.645 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' F' F ' 17' ' ' LEU . . . . . 0.4 ' HG ' ' CB ' ' L' ' 14' ' ' ALA . 4.0 mm? -74.36 -43.57 55.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.49 179.203 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' F' F ' 18' ' ' VAL . . . . . 0.427 HG23 ' O ' ' F' ' 14' ' ' ALA . 60.7 t -60.29 -47.44 92.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.319 -179.746 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' F' F ' 19' ' ' CYS . . . . . 0.496 ' HB3' ' HB3' ' F' ' 22' ' ' ARG . 77.1 m -80.66 -30.2 36.57 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.571 -179.268 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' F' F ' 20' ' ' GLY . . . . . 0.46 ' HA2' ' HE1' ' H' ' 5' ' ' HIS . . . 72.99 -135.79 21.87 Favored Glycine 0 N--CA 1.446 -0.692 0 N-CA-C 110.535 -1.026 . . . . 0.0 110.535 -178.582 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' F' F ' 21' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -87.04 57.89 4.75 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 178.285 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 22' ' ' ARG . . . . . 0.496 ' HB3' ' HB3' ' F' ' 19' ' ' CYS . 31.7 ttt180 -119.97 -49.27 2.31 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.124 -178.63 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' F' F ' 23' ' ' GLY . . . . . 0.925 ' HA2' ' HD2' ' H' ' 28' ' ' PRO . . . 111.69 178.33 20.14 Favored Glycine 0 N--CA 1.444 -0.823 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.084 -179.137 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' F' F ' 24' ' ' PHE . . . . . 0.617 ' CZ ' ' HB ' ' F' ' 12' ' ' VAL . 1.6 p90 -166.07 165.2 17.99 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-O 121.179 0.514 . . . . 0.0 110.913 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' F' F ' 25' ' ' PHE . . . . . 0.402 ' CE1' ' HA ' ' E' ' 21' ' ' ASN . 11.7 p90 -122.2 127.54 50.12 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 177.818 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' F' F ' 26' ' ' TYR . . . . . 0.478 ' CD2' ' HD3' ' F' ' 28' ' ' PRO . 24.7 t80 -130.02 122.32 28.18 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 -178.459 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' F' F ' 27' ' ' THR . . . . . 0.459 ' HA ' ' HA3' ' H' ' 23' ' ' GLY . 1.2 p -127.79 78.05 75.52 Favored Pre-proline 0 C--N 1.325 -0.481 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -178.375 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' F' F ' 28' ' ' PRO . . . . . 0.916 ' HD2' ' HA2' ' H' ' 23' ' ' GLY . 88.1 Cg_endo -80.54 136.88 11.25 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.531 2.154 . . . . 0.0 110.373 177.807 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' F' F ' 29' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -154.77 127.97 8.35 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.232 -0.587 . . . . 0.0 112.245 -179.092 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 30' ' ' THR . . . . . . . . . . . . . 1.6 p . . . . . 0 C--O 1.243 0.758 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 177.802 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' G' G ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.678 0 N-CA-C 111.875 -0.49 . . . . 0.0 111.875 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' G' G ' 2' ' ' ILE . . . . . . . . . . . . . 7.6 tt -58.58 -41.06 80.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 121.142 0.496 . . . . 0.0 111.792 -179.472 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 3' ' ' VAL . . . . . 0.5 HG21 ' HA ' ' H' ' 28' ' ' PRO . 39.8 t -62.01 -28.31 44.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.238 -179.748 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' G' G ' 4' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -76.3 -73.5 0.27 Allowed 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 120.742 0.306 . . . . 0.0 110.992 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 5' ' ' GLN . . . . . 0.515 ' HA ' HG22 ' G' ' 8' ' ' THR . 16.3 pt20 -50.86 -45.0 59.68 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 113.353 0.871 . . . . 0.0 113.353 -178.232 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' G' G ' 6' ' ' CYS . . . . . . . . . . . . . 83.4 m -72.56 -23.77 61.02 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 -178.044 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 7' ' ' CYS . . . . . 0.563 ' HB2' HD11 ' H' ' 11' ' ' LEU . 8.9 t -108.19 17.0 22.76 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.068 0.461 . . . . 0.0 110.946 -179.732 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' G' G ' 8' ' ' THR . . . . . 0.515 HG22 ' HA ' ' G' ' 5' ' ' GLN . 13.8 t -118.75 -43.82 2.66 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.336 178.763 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' G' G ' 9' ' ' SER . . . . . 0.439 ' O ' ' HB ' ' G' ' 10' ' ' ILE . 71.5 m -144.53 21.39 1.68 Allowed 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 179.523 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' G' G ' 10' ' ' ILE . . . . . 0.93 HG13 HG12 ' D' ' 2' ' ' VAL . 58.2 mt 70.77 140.93 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 CA-C-O 121.346 0.593 . . . . 0.0 112.174 178.309 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' G' G ' 11' ' ' CYS . . . . . . . . . . . . . 93.6 m -105.85 150.63 25.42 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.423 178.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 12' ' ' SER . . . . . . . . . . . . . 39.6 t -78.18 157.53 29.35 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.323 178.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 13' ' ' LEU . . . . . 0.477 HD21 HD21 ' A' ' 13' ' ' LEU . 58.3 tp -52.47 -47.22 66.63 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 122.694 0.398 . . . . 0.0 111.441 -179.665 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -63.69 -33.39 75.54 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.423 -179.452 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 15' ' ' GLN . . . . . 0.518 ' O ' ' HB3' ' G' ' 18' ' ' ASN . 87.6 mt-30 -70.05 -37.31 75.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.891 0.377 . . . . 0.0 110.051 178.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' G' G ' 16' ' ' LEU . . . . . . . . . . . . . 86.9 mt -69.04 -39.01 79.44 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.685 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 17' ' ' GLU . . . . . 0.466 ' HG3' ' O ' ' G' ' 13' ' ' LEU . 38.0 mt-10 -62.39 -27.74 69.29 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.349 179.416 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' G' G ' 18' ' ' ASN . . . . . 0.518 ' HB3' ' O ' ' G' ' 15' ' ' GLN . 10.1 t30 -60.21 -29.34 68.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.537 179.461 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' G' G ' 19' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -94.05 -86.54 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.096 178.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 20' ' ' CYS . . . . . . . . . . . . . 16.8 t 54.07 -113.81 0.81 Allowed 'General case' 0 CA--C 1.533 0.312 0 O-C-N 123.599 0.562 . . . . 0.0 110.859 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 21' ' ' ASN . . . . . 0.653 ' HB2' ' HA ' ' H' ' 24' ' ' PHE . 12.7 t30 . . . . . 0 C--O 1.247 0.963 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 179.444 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' H' H ' 1' ' ' PHE . . . . . . . . . . . . . 2.4 p90 . . . . . 0 N--CA 1.479 1.013 0 CA-C-O 121.527 0.68 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' H' H ' 2' ' ' VAL . . . . . 0.957 HG12 HG13 ' K' ' 10' ' ' ILE . 16.4 m -129.48 97.16 3.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.801 0.81 . . . . 0.0 110.47 179.683 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' H' H ' 3' ' ' ASN . . . . . 0.545 ' O ' ' HB3' ' H' ' 7' ' ' CYS . 42.2 t30 -156.6 -52.82 0.08 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.467 -0.788 . . . . 0.0 108.975 -179.768 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' H' H ' 4' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -58.49 -38.66 78.11 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.895 0.379 . . . . 0.0 111.26 179.229 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' H' H ' 5' ' ' HIS . . . . . 0.713 ' HA ' ' HE1' ' F' ' 16' ' ' TYR . 7.8 t60 -77.66 -26.78 50.63 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.764 -179.258 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' H' H ' 6' ' ' LEU . . . . . 0.622 HD13 ' HB2' ' L' ' 7' ' ' CYS . 34.6 mt -89.54 -59.36 2.23 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.635 0.731 . . . . 0.0 110.55 -179.162 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' H' H ' 7' ' ' CYS . . . . . 0.636 ' HB2' HD13 ' D' ' 6' ' ' LEU . 0.0 OUTLIER -62.98 -48.04 80.56 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.5 -1.227 . . . . 0.0 110.889 179.889 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' H' H ' 8' ' ' GLY . . . . . 0.718 ' HA2' ' HG ' ' H' ' 11' ' ' LEU . . . -59.7 -29.69 67.62 Favored Glycine 0 C--N 1.331 0.282 0 C-N-CA 121.07 -0.586 . . . . 0.0 112.63 179.716 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' H' H ' 9' ' ' SER . . . . . 0.473 ' OG ' ' HG3' ' F' ' 13' ' ' GLU . 0.3 OUTLIER -69.71 -9.77 55.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.972 0.415 . . . . 0.0 110.556 179.551 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' H' H ' 10' ' ' HIS . . . . . . . . . . . . . 87.2 m-70 -118.04 -9.42 10.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.129 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' H' H ' 11' ' ' LEU . . . . . 0.718 ' HG ' ' HA2' ' H' ' 8' ' ' GLY . 35.2 mt -69.06 -30.05 68.3 Favored 'General case' 0 CA--C 1.519 -0.245 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 177.124 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' H' H ' 12' ' ' VAL . . . . . 0.622 ' HB ' ' CZ ' ' H' ' 24' ' ' PHE . 10.9 m -68.57 -32.53 55.6 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 CA-C-N 114.599 -1.182 . . . . 0.0 109.795 177.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' H' H ' 13' ' ' GLU . . . . . 0.467 ' HG3' ' OG ' ' F' ' 9' ' ' SER . 29.5 tt0 -64.22 -33.92 76.91 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 179.119 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' H' H ' 14' ' ' ALA . . . . . 0.464 ' CB ' ' H3 ' ' G' ' 22' ' ' IPH . . . -72.52 -49.0 35.86 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.509 -0.768 . . . . 0.0 109.654 177.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' H' H ' 15' ' ' LEU . . . . . . . . . . . . . 95.5 mt -58.98 -35.58 73.44 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.41 0.624 . . . . 0.0 110.032 178.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' H' H ' 16' ' ' TYR . . . . . 0.718 ' HE1' ' HA ' ' F' ' 5' ' ' HIS . 2.1 t80 -56.85 -40.24 75.73 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.787 -1.097 . . . . 0.0 110.286 179.711 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -74.19 -43.11 58.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.506 179.183 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' H' H ' 18' ' ' VAL . . . . . 0.433 HG23 ' O ' ' H' ' 14' ' ' ALA . 58.0 t -61.31 -46.67 96.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.237 -179.667 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' H' H ' 19' ' ' CYS . . . . . 0.501 ' HB3' ' HB3' ' H' ' 22' ' ' ARG . 76.9 m -80.91 -30.64 35.38 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.614 -179.373 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' H' H ' 20' ' ' GLY . . . . . 0.422 ' HA2' ' HE1' ' F' ' 5' ' ' HIS . . . 73.49 -135.79 21.28 Favored Glycine 0 N--CA 1.447 -0.587 0 N-CA-C 110.598 -1.001 . . . . 0.0 110.598 -178.566 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' H' H ' 21' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -86.96 56.89 4.21 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 178.346 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' H' H ' 22' ' ' ARG . . . . . 0.501 ' HB3' ' HB3' ' H' ' 19' ' ' CYS . 31.9 ttt180 -118.72 -50.59 2.4 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.91 -1.041 . . . . 0.0 110.057 -178.701 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' H' H ' 23' ' ' GLY . . . . . 0.916 ' HA2' ' HD2' ' F' ' 28' ' ' PRO . . . 112.98 179.01 19.54 Favored Glycine 0 N--CA 1.443 -0.853 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.066 -179.216 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' H' H ' 24' ' ' PHE . . . . . 0.653 ' HA ' ' HB2' ' G' ' 21' ' ' ASN . 1.6 p90 -166.11 166.2 17.25 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 121.076 0.465 . . . . 0.0 111.032 179.654 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' H' H ' 25' ' ' PHE . . . . . . . . . . . . . 10.8 p90 -122.99 128.57 50.38 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 177.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' H' H ' 26' ' ' TYR . . . . . 0.452 ' CD2' ' HD3' ' H' ' 28' ' ' PRO . 26.0 t80 -131.43 121.09 23.98 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 121.067 -0.253 . . . . 0.0 110.332 -178.252 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' H' H ' 27' ' ' THR . . . . . 0.453 ' HA ' ' HA3' ' F' ' 23' ' ' GLY . 1.4 p -126.4 79.07 71.14 Favored Pre-proline 0 C--N 1.327 -0.411 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 -178.718 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' H' H ' 28' ' ' PRO . . . . . 0.925 ' HD2' ' HA2' ' F' ' 23' ' ' GLY . 91.1 Cg_endo -81.1 136.17 10.14 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 122.481 2.121 . . . . 0.0 110.179 177.743 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' H' H ' 29' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -154.45 126.27 7.63 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.137 -0.625 . . . . 0.0 112.415 -178.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' H' H ' 30' ' ' THR . . . . . . . . . . . . . 1.4 p . . . . . 0 C--O 1.247 0.924 0 CA-C-N 115.241 -0.89 . . . . 0.0 108.655 177.912 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' I' I ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.826 0 N-CA-C 111.607 -0.597 . . . . 0.0 111.607 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' I' I ' 2' ' ' ILE . . . . . 0.432 ' HB ' ' CE1' ' I' ' 19' ' ' TYR . 6.9 tt -59.27 -41.15 83.16 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 CA-C-O 120.8 0.333 . . . . 0.0 111.673 -179.695 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' I' I ' 3' ' ' VAL . . . . . 0.489 HG21 ' HA ' ' J' ' 28' ' ' PRO . 39.1 t -61.12 -30.18 47.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 120.972 0.415 . . . . 0.0 111.401 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' I' I ' 4' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -74.63 -73.78 0.22 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.24 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 5' ' ' GLN . . . . . 0.52 ' HA ' HG22 ' I' ' 8' ' ' THR . 16.2 pt20 -51.04 -43.4 60.92 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -178.191 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' I' I ' 6' ' ' CYS . . . . . . . . . . . . . 80.5 m -73.98 -23.88 59.53 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 -178.099 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 7' ' ' CYS . . . . . 0.573 ' HB2' HD11 ' J' ' 11' ' ' LEU . 9.0 t -108.25 18.25 21.29 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.428 -0.509 . . . . 0.0 111.034 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' I' I ' 8' ' ' THR . . . . . 0.52 HG22 ' HA ' ' I' ' 5' ' ' GLN . 14.4 t -119.47 -44.38 2.56 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.416 178.588 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' I' I ' 9' ' ' SER . . . . . 0.436 ' O ' ' HB ' ' I' ' 10' ' ' ILE . 57.7 m -144.31 21.99 1.7 Allowed 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 179.262 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' I' I ' 10' ' ' ILE . . . . . 0.976 HG13 HG12 ' B' ' 2' ' ' VAL . 54.6 mt 70.09 140.5 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 CA-C-O 121.223 0.535 . . . . 0.0 112.395 178.17 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' I' I ' 11' ' ' CYS . . . . . . . . . . . . . 97.6 m -105.14 149.65 25.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.693 178.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 12' ' ' SER . . . . . . . . . . . . . 33.4 t -77.54 157.47 30.34 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.551 -0.536 . . . . 0.0 109.551 179.009 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 13' ' ' LEU . . . . . 0.464 HD21 HD21 ' C' ' 13' ' ' LEU . 58.1 tp -52.13 -47.06 65.55 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 123.33 0.394 . . . . 0.0 111.377 -179.572 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -62.97 -34.41 77.46 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.561 -179.696 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 15' ' ' GLN . . . . . 0.532 ' O ' ' HB3' ' I' ' 18' ' ' ASN . 87.9 mt-30 -69.08 -38.38 78.96 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 178.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' I' I ' 16' ' ' LEU . . . . . . . . . . . . . 86.1 mt -68.14 -39.32 82.71 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.991 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 17' ' ' GLU . . . . . 0.459 ' HG3' ' O ' ' I' ' 13' ' ' LEU . 37.1 mt-10 -62.2 -26.72 68.51 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.083 0.468 . . . . 0.0 110.313 179.367 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' I' I ' 18' ' ' ASN . . . . . 0.532 ' HB3' ' O ' ' I' ' 15' ' ' GLN . 9.6 t30 -61.41 -29.45 69.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.601 179.644 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' I' I ' 19' ' ' TYR . . . . . 0.432 ' CE1' ' HB ' ' I' ' 2' ' ' ILE . 77.9 m-85 -93.87 -86.18 0.27 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.358 -0.383 . . . . 0.0 109.996 179.036 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' I' I ' 20' ' ' CYS . . . . . . . . . . . . . 16.0 t 54.1 -113.54 0.79 Allowed 'General case' 0 CA--C 1.534 0.33 0 O-C-N 123.609 0.568 . . . . 0.0 110.672 179.614 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 21' ' ' ASN . . . . . 0.629 ' HB2' ' HA ' ' J' ' 24' ' ' PHE . 15.6 t30 . . . . . 0 C--O 1.246 0.885 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 179.175 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' J' J ' 1' ' ' PHE . . . . . . . . . . . . . 2.4 p90 . . . . . 0 N--CA 1.48 1.025 0 CA-C-O 121.36 0.6 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' J' J ' 2' ' ' VAL . . . . . 0.939 HG12 HG13 ' E' ' 10' ' ' ILE . 16.0 m -131.81 97.15 2.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.878 0.847 . . . . 0.0 110.327 179.45 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' J' J ' 3' ' ' ASN . . . . . 0.558 ' O ' ' HB3' ' J' ' 7' ' ' CYS . 41.6 t30 -156.83 -51.95 0.08 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.109 -179.526 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' J' J ' 4' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -59.22 -38.78 80.78 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.137 179.081 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' J' J ' 5' ' ' HIS . . . . . 0.73 ' HA ' ' HE1' ' L' ' 16' ' ' TYR . 8.4 t60 -77.51 -27.48 51.77 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.49 -179.409 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' J' J ' 6' ' ' LEU . . . . . 0.626 HD13 ' HB2' ' F' ' 7' ' ' CYS . 35.2 mt -88.95 -59.15 2.3 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.647 0.736 . . . . 0.0 110.773 -178.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' J' J ' 7' ' ' CYS . . . . . 0.632 ' HB2' HD13 ' B' ' 6' ' ' LEU . 0.0 OUTLIER -63.44 -47.54 81.45 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 114.601 -1.181 . . . . 0.0 110.954 179.718 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' J' J ' 8' ' ' GLY . . . . . 0.693 ' HA2' ' HG ' ' J' ' 11' ' ' LEU . . . -59.46 -30.46 68.3 Favored Glycine 0 C--N 1.33 0.24 0 C-N-CA 121.079 -0.581 . . . . 0.0 112.443 179.576 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' J' J ' 9' ' ' SER . . . . . 0.474 ' OG ' ' HG3' ' L' ' 13' ' ' GLU . 0.3 OUTLIER -69.25 -9.87 55.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.871 0.367 . . . . 0.0 110.757 179.675 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' J' J ' 10' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -117.96 -9.41 10.6 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.149 179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' J' J ' 11' ' ' LEU . . . . . 0.693 ' HG ' ' HA2' ' J' ' 8' ' ' GLY . 34.9 mt -69.18 -29.82 67.88 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 177.046 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' J' J ' 12' ' ' VAL . . . . . 0.62 ' HB ' ' CZ ' ' J' ' 24' ' ' PHE . 11.1 m -68.74 -32.5 55.18 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 CA-C-N 114.701 -1.136 . . . . 0.0 109.774 177.836 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' J' J ' 13' ' ' GLU . . . . . 0.472 ' HG3' ' OG ' ' L' ' 9' ' ' SER . 29.9 tt0 -64.32 -33.88 76.86 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 179.272 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' J' J ' 14' ' ' ALA . . . . . 0.468 ' CB ' ' H3 ' ' I' ' 22' ' ' IPH . . . -72.33 -48.86 38.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.832 177.76 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' J' J ' 15' ' ' LEU . . . . . . . . . . . . . 93.9 mt -59.16 -35.89 74.32 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.463 0.649 . . . . 0.0 109.905 178.715 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' J' J ' 16' ' ' TYR . . . . . 0.716 ' HE1' ' HA ' ' L' ' 5' ' ' HIS . 2.1 t80 -56.38 -40.27 74.3 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.681 -1.145 . . . . 0.0 110.302 179.623 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' J' J ' 17' ' ' LEU . . . . . 0.413 ' HG ' ' CB ' ' D' ' 14' ' ' ALA . 4.1 mm? -74.36 -43.88 54.69 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.396 179.179 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' J' J ' 18' ' ' VAL . . . . . 0.428 HG23 ' O ' ' J' ' 14' ' ' ALA . 57.5 t -59.98 -48.1 89.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.158 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' J' J ' 19' ' ' CYS . . . . . 0.497 ' HB3' ' HB3' ' J' ' 22' ' ' ARG . 79.0 m -79.43 -32.22 42.77 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.772 -179.428 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' J' J ' 20' ' ' GLY . . . . . 0.423 ' HA2' ' HE1' ' L' ' 5' ' ' HIS . . . 74.72 -136.15 20.39 Favored Glycine 0 N--CA 1.448 -0.551 0 N-CA-C 110.372 -1.091 . . . . 0.0 110.372 -178.626 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' J' J ' 21' ' ' GLU . . . . . 0.42 ' HB3' ' H ' ' L' ' 30' ' ' THR . 22.2 mm-40 -86.93 57.99 4.82 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 178.352 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' J' J ' 22' ' ' ARG . . . . . 0.497 ' HB3' ' HB3' ' J' ' 19' ' ' CYS . 31.9 ttt180 -119.7 -49.13 2.35 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.105 -178.536 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' J' J ' 23' ' ' GLY . . . . . 0.899 ' HA2' ' HD2' ' L' ' 28' ' ' PRO . . . 111.81 178.87 20.06 Favored Glycine 0 N--CA 1.444 -0.776 0 CA-C-N 115.164 -0.925 . . . . 0.0 111.126 -178.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' J' J ' 24' ' ' PHE . . . . . 0.629 ' HA ' ' HB2' ' I' ' 21' ' ' ASN . 1.5 p90 -166.79 164.86 16.53 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-O 121.127 0.489 . . . . 0.0 110.956 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' J' J ' 25' ' ' PHE . . . . . . . . . . . . . 11.6 p90 -121.99 127.53 50.42 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 177.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' J' J ' 26' ' ' TYR . . . . . 0.477 ' CD2' ' HD3' ' J' ' 28' ' ' PRO . 24.8 t80 -130.3 121.23 25.67 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.489 -178.36 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' J' J ' 27' ' ' THR . . . . . 0.432 ' HA ' ' HA3' ' L' ' 23' ' ' GLY . 1.4 p -126.55 78.34 72.46 Favored Pre-proline 0 CA--C 1.537 0.471 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 -178.474 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' J' J ' 28' ' ' PRO . . . . . 0.918 ' HD2' ' HA2' ' L' ' 23' ' ' GLY . 89.6 Cg_endo -80.91 135.89 10.22 Favored 'Trans proline' 0 N--CA 1.46 -0.452 0 C-N-CA 122.276 1.984 . . . . 0.0 110.28 177.763 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' J' J ' 29' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -153.6 127.78 9.08 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.294 -0.562 . . . . 0.0 112.263 -178.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' J' J ' 30' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 C--O 1.247 0.962 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 178.145 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.948 0 N-CA-C 112.278 -0.329 . . . . 0.0 112.278 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' K' K ' 2' ' ' ILE . . . . . 0.438 ' HB ' ' CE1' ' K' ' 19' ' ' TYR . 7.0 tt -59.17 -41.34 83.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.108 0.48 . . . . 0.0 111.517 -179.568 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' K' K ' 3' ' ' VAL . . . . . 0.479 HG21 ' HA ' ' L' ' 28' ' ' PRO . 40.3 t -60.92 -30.71 48.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.212 -179.518 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' K' K ' 4' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -74.56 -73.1 0.25 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.536 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' K' K ' 5' ' ' GLN . . . . . 0.526 ' HA ' HG22 ' K' ' 8' ' ' THR . 15.9 pt20 -51.28 -43.48 61.6 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 -178.063 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' K' K ' 6' ' ' CYS . . . . . . . . . . . . . 79.0 m -73.56 -24.82 60.15 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 -178.115 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' K' K ' 7' ' ' CYS . . . . . 0.556 ' HB2' HD11 ' L' ' 11' ' ' LEU . 9.0 t -107.43 18.24 21.79 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.514 -0.474 . . . . 0.0 111.118 -179.772 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' K' K ' 8' ' ' THR . . . . . 0.526 HG22 ' HA ' ' K' ' 5' ' ' GLN . 14.2 t -119.75 -44.06 2.55 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 120.581 -0.448 . . . . 0.0 110.195 178.802 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' K' K ' 9' ' ' SER . . . . . 0.453 ' O ' ' HB ' ' K' ' 10' ' ' ILE . 62.3 m -144.17 21.25 1.74 Allowed 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 179.448 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' K' K ' 10' ' ' ILE . . . . . 0.957 HG13 HG12 ' H' ' 2' ' ' VAL . 55.9 mt 70.77 140.62 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 CA-C-O 121.247 0.546 . . . . 0.0 112.294 178.278 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' K' K ' 11' ' ' CYS . . . . . . . . . . . . . 94.9 m -105.31 150.32 25.28 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.643 178.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' K' K ' 12' ' ' SER . . . . . . . . . . . . . 33.3 t -77.68 157.78 29.99 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 178.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' K' K ' 13' ' ' LEU . . . . . 0.471 HD21 HD21 ' E' ' 13' ' ' LEU . 58.2 tp -52.63 -46.77 67.23 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.932 0.396 . . . . 0.0 111.312 -179.811 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -64.15 -31.97 73.37 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.582 -179.5 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' K' K ' 15' ' ' GLN . . . . . 0.506 ' O ' ' HB3' ' K' ' 18' ' ' ASN . 87.3 mt-30 -71.65 -36.46 70.71 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.943 0.401 . . . . 0.0 110.048 179.054 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' K' K ' 16' ' ' LEU . . . . . . . . . . . . . 87.8 mt -69.71 -39.4 76.88 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.734 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' K' K ' 17' ' ' GLU . . . . . 0.451 ' HG3' ' O ' ' K' ' 13' ' ' LEU . 40.9 mt-10 -61.95 -27.59 68.94 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 121.098 0.475 . . . . 0.0 110.415 179.19 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' K' K ' 18' ' ' ASN . . . . . 0.506 ' HB3' ' O ' ' K' ' 15' ' ' GLN . 9.5 t30 -60.36 -28.62 68.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.404 -0.817 . . . . 0.0 110.674 179.546 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' K' K ' 19' ' ' TYR . . . . . 0.438 ' CE1' ' HB ' ' K' ' 2' ' ' ILE . 83.0 m-85 -94.9 -86.39 0.29 Allowed 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 178.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' K' K ' 20' ' ' CYS . . . . . . . . . . . . . 16.2 t 54.32 -113.35 0.78 Allowed 'General case' 0 CA--C 1.533 0.321 0 O-C-N 123.764 0.665 . . . . 0.0 110.496 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' K' K ' 21' ' ' ASN . . . . . 0.617 ' HB2' ' HA ' ' L' ' 24' ' ' PHE . 15.0 t30 . . . . . 0 C--O 1.244 0.801 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 179.159 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' L' L ' 1' ' ' PHE . . . . . . . . . . . . . 2.2 p90 . . . . . 0 N--CA 1.48 1.065 0 CA-C-O 121.376 0.608 . . . . 0.0 111.248 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' L' L ' 2' ' ' VAL . . . . . 0.936 HG12 HG13 ' C' ' 10' ' ' ILE . 15.8 m -131.22 95.8 2.45 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 CA-C-O 121.775 0.798 . . . . 0.0 110.459 179.529 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' L' L ' 3' ' ' ASN . . . . . 0.55 ' O ' ' HB3' ' L' ' 7' ' ' CYS . 41.9 t30 -155.41 -52.22 0.09 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.088 -179.634 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' L' L ' 4' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -58.88 -38.71 79.46 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.222 179.173 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' L' L ' 5' ' ' HIS . . . . . 0.716 ' HA ' ' HE1' ' J' ' 16' ' ' TYR . 7.8 t60 -77.39 -27.28 52.41 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.589 -179.428 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' L' L ' 6' ' ' LEU . . . . . 0.633 HD13 ' HB2' ' D' ' 7' ' ' CYS . 35.0 mt -89.2 -59.49 2.2 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.762 0.791 . . . . 0.0 110.627 -178.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' L' L ' 7' ' ' CYS . . . . . 0.622 ' HB2' HD13 ' H' ' 6' ' ' LEU . 0.0 OUTLIER -62.92 -48.16 80.12 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 114.533 -1.212 . . . . 0.0 110.874 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' L' L ' 8' ' ' GLY . . . . . 0.706 ' HA2' ' HG ' ' L' ' 11' ' ' LEU . . . -59.33 -30.19 67.38 Favored Glycine 0 C--N 1.331 0.283 0 C-N-CA 120.936 -0.649 . . . . 0.0 112.748 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' L' L ' 9' ' ' SER . . . . . 0.472 ' OG ' ' HG3' ' J' ' 13' ' ' GLU . 0.3 OUTLIER -69.31 -9.86 55.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.977 0.417 . . . . 0.0 110.686 179.584 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' L' L ' 10' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -118.17 -9.1 10.55 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.177 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' L' L ' 11' ' ' LEU . . . . . 0.706 ' HG ' ' HA2' ' L' ' 8' ' ' GLY . 36.3 mt -69.4 -30.16 68.06 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 107.041 -1.466 . . . . 0.0 107.041 177.129 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' L' L ' 12' ' ' VAL . . . . . 0.631 ' HB ' ' CZ ' ' L' ' 24' ' ' PHE . 11.0 m -68.51 -32.58 55.91 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.388 0 CA-C-N 114.484 -1.234 . . . . 0.0 109.815 177.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' L' L ' 13' ' ' GLU . . . . . 0.474 ' HG3' ' OG ' ' J' ' 9' ' ' SER . 30.1 tt0 -64.35 -33.86 76.82 Favored 'General case' 0 C--O 1.232 0.154 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 179.094 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' L' L ' 14' ' ' ALA . . . . . 0.47 ' CB ' ' H3 ' ' K' ' 22' ' ' IPH . . . -72.34 -49.23 35.84 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.642 177.8 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' L' L ' 15' ' ' LEU . . . . . . . . . . . . . 96.4 mt -58.67 -36.26 73.88 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.925 178.718 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' L' L ' 16' ' ' TYR . . . . . 0.73 ' HE1' ' HA ' ' J' ' 5' ' ' HIS . 2.1 t80 -55.98 -41.19 74.39 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.766 -1.107 . . . . 0.0 110.298 179.645 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' L' L ' 17' ' ' LEU . . . . . 0.409 ' HG ' ' CB ' ' F' ' 14' ' ' ALA . 4.0 mm? -73.09 -43.92 61.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.594 179.091 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' L' L ' 18' ' ' VAL . . . . . 0.426 HG23 ' O ' ' L' ' 14' ' ' ALA . 55.5 t -60.32 -48.01 89.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.257 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' L' L ' 19' ' ' CYS . . . . . 0.489 ' HB3' ' HB3' ' L' ' 22' ' ' ARG . 77.6 m -79.43 -32.06 42.73 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.712 -179.365 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' L' L ' 20' ' ' GLY . . . . . 0.404 ' HA2' ' HE1' ' J' ' 5' ' ' HIS . . . 74.98 -135.12 18.34 Favored Glycine 0 N--CA 1.45 -0.432 0 N-CA-C 110.62 -0.992 . . . . 0.0 110.62 -178.717 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' L' L ' 21' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -87.7 56.4 3.89 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 178.148 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' L' L ' 22' ' ' ARG . . . . . 0.489 ' HB3' ' HB3' ' L' ' 19' ' ' CYS . 32.4 ttt180 -118.46 -49.24 2.47 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.995 -1.002 . . . . 0.0 110.234 -178.651 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' L' L ' 23' ' ' GLY . . . . . 0.918 ' HA2' ' HD2' ' J' ' 28' ' ' PRO . . . 112.12 179.18 19.87 Favored Glycine 0 N--CA 1.443 -0.859 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.289 -179.041 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' L' L ' 24' ' ' PHE . . . . . 0.631 ' CZ ' ' HB ' ' L' ' 12' ' ' VAL . 1.6 p90 -167.08 164.64 15.84 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-O 121.012 0.434 . . . . 0.0 111.047 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' L' L ' 25' ' ' PHE . . . . . 0.401 ' CE1' ' HA ' ' K' ' 21' ' ' ASN . 12.8 p90 -121.87 128.82 52.04 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 177.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' L' L ' 26' ' ' TYR . . . . . 0.479 ' CD2' ' HD3' ' L' ' 28' ' ' PRO . 25.3 t80 -131.6 121.31 24.16 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.526 -0.307 . . . . 0.0 110.267 -178.309 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' L' L ' 27' ' ' THR . . . . . 0.447 ' HA ' ' HA3' ' J' ' 23' ' ' GLY . 1.6 p -126.79 78.48 73.28 Favored Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -178.472 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' L' L ' 28' ' ' PRO . . . . . 0.899 ' HD2' ' HA2' ' J' ' 23' ' ' GLY . 83.1 Cg_endo -81.09 135.54 9.82 Favored 'Trans proline' 0 N--CA 1.459 -0.525 0 C-N-CA 122.612 2.208 . . . . 0.0 110.147 177.614 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' L' L ' 29' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -153.77 125.91 7.9 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.198 -0.601 . . . . 0.0 112.378 -178.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' L' L ' 30' ' ' THR . . . . . 0.42 ' H ' ' HB3' ' J' ' 21' ' ' GLU . 1.4 p . . . . . 0 C--O 1.247 0.962 0 CA-C-N 115.386 -0.825 . . . . 0.0 108.976 178.032 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' IPH . . . . . 0.725 ' H6 ' HG12 ' A' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 22' ' ' IPH . . . . . 0.711 ' H6 ' HG12 ' C' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 22' ' ' IPH . . . . . 0.716 ' H6 ' HG12 ' E' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 22' ' ' IPH . . . . . 0.717 ' H6 ' HG12 ' G' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 22' ' ' IPH . . . . . 0.706 ' H6 ' HG12 ' I' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' K' K ' 22' ' ' IPH . . . . . 0.704 ' H6 ' HG12 ' K' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.456 ' HA3' ' O ' ' B' ' 29' ' ' LYS . . . . . . . . 0 N--CA 1.486 1.992 0 N-CA-C 112.739 -0.145 . . . . 0.0 112.739 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 5.1 tt -49.82 -43.21 19.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.579 HG11 ' HG3' ' B' ' 4' ' ' GLN . 21.8 t -53.03 -55.17 13.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.704 -179.475 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -62.05 -42.37 99.11 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.689 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -57.14 -42.5 81.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.304 0.574 . . . . 0.0 111.104 179.143 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.422 ' HB2' HD13 ' B' ' 11' ' ' LEU . 82.6 m -88.63 2.35 53.33 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.366 -179.229 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 9.9 t -112.82 -20.03 11.77 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.811 0.338 . . . . 0.0 111.257 -179.6 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.6 t -75.93 -23.18 55.45 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.638 -179.146 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.1 t -163.01 12.69 0.06 Allowed 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.967 -0.293 . . . . 0.0 111.24 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.413 ' HA ' ' O ' ' A' ' 6' ' ' CYS . 2.4 mp 65.14 118.47 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 CA-C-O 121.417 0.627 . . . . 0.0 111.191 -179.736 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 64.2 m -71.59 141.79 50.02 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.672 179.46 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.0 t -80.64 166.38 21.14 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 177.655 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.6 mp -61.01 -33.34 73.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.119 0.485 . . . . 0.0 110.102 179.449 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -68.33 -18.42 64.49 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.156 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -94.13 -40.16 10.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.925 0.393 . . . . 0.0 110.39 179.051 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 83.3 mt -66.08 -31.84 72.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.615 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.21 -30.32 64.47 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.356 179.573 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -61.41 -23.49 65.85 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.104 179.354 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -109.16 8.78 26.07 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.701 -177.74 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.9 t -78.61 151.93 32.08 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.762 0.315 . . . . 0.0 110.92 -179.671 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.351 -0.833 . . . . 0.0 110.674 -179.517 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' PHE . . . . . 0.403 ' O ' ' HB3' ' B' ' 4' ' ' GLN . 53.2 t80 . . . . . 0 N--CA 1.478 0.952 0 N-CA-C 111.64 0.237 . . . . 0.0 111.64 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.49 ' O ' ' HG ' ' B' ' 6' ' ' LEU . 16.9 m -72.87 -39.6 59.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 120.451 -0.5 . . . . 0.0 111.519 -178.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 3' ' ' ASN . . . . . 0.56 ' O ' ' HB3' ' B' ' 7' ' ' CYS . 30.6 m-20 -72.95 -4.76 34.17 Favored 'General case' 0 C--O 1.219 -0.545 0 CA-C-O 121.337 0.589 . . . . 0.0 109.983 178.75 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 4' ' ' GLN . . . . . 0.579 ' HG3' HG11 ' A' ' 3' ' ' VAL . 27.9 tt0 -71.57 -17.33 62.31 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 177.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 5' ' ' HIS . . . . . 0.45 ' HA ' ' HE2' ' D' ' 16' ' ' TYR . 52.9 t-80 -113.83 -2.27 13.69 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.989 178.863 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' B' ' 2' ' ' VAL . 7.6 mt -114.08 -40.32 3.73 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.421 0.629 . . . . 0.0 110.017 -179.378 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 7' ' ' CYS . . . . . 0.56 ' HB3' ' O ' ' B' ' 3' ' ' ASN . 0.5 OUTLIER -88.02 -33.33 18.4 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 177.683 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -61.81 -26.66 67.3 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.517 -0.765 . . . . 0.0 112.645 178.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.89 10.03 3.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.868 0.366 . . . . 0.0 111.693 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 38.8 m-70 -113.56 -39.42 4.07 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.417 0.627 . . . . 0.0 109.319 178.135 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.422 HD13 ' HB2' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -64.72 -25.24 67.85 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.076 179.177 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 5.9 m -60.87 -49.33 85.06 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -179.425 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.86 ' HA ' ' HE1' ' B' ' 16' ' ' TYR . 64.4 tt0 -66.35 -33.66 76.22 Favored 'General case' 0 CA--C 1.52 -0.178 0 C-N-CA 120.424 -0.51 . . . . 0.0 110.448 -179.428 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.11 -39.81 78.73 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 179.109 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 11.9 mt -57.46 -54.9 41.57 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.965 -0.561 . . . . 0.0 112.236 -179.574 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 16' ' ' TYR . . . . . 0.934 ' HB2' ' HG3' ' D' ' 28' ' ' PRO . 3.8 p90 -79.64 3.35 19.34 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 119.68 -0.808 . . . . 0.0 111.154 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.575 ' HB2' ' O ' ' B' ' 13' ' ' GLU . 5.3 tt -88.32 -44.6 10.68 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 177.581 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 90.5 t -64.85 -40.63 89.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.732 178.688 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 19' ' ' CYS . . . . . 0.817 ' HB3' ' HB2' ' B' ' 22' ' ' ARG . 97.1 m -77.8 -21.52 51.5 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.039 179.607 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 70.24 -100.56 0.8 Allowed Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.235 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -98.21 -0.69 43.67 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.437 0.637 . . . . 0.0 109.767 179.277 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' ARG . . . . . 0.817 ' HB2' ' HB3' ' B' ' 19' ' ' CYS . 43.5 mtp85 -86.07 151.48 23.66 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.365 178.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 23' ' ' GLY . . . . . 0.744 ' HA2' ' HD2' ' D' ' 28' ' ' PRO . . . -89.57 -167.39 42.53 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.328 -0.939 . . . . 0.0 112.438 -179.777 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 24' ' ' PHE . . . . . 0.746 ' CE1' ' HB3' ' B' ' 16' ' ' TYR . 18.7 p90 -168.16 170.65 10.07 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-O 121.23 0.538 . . . . 0.0 110.939 179.778 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 25' ' ' PHE . . . . . 0.547 ' HD1' ' HD1' ' D' ' 25' ' ' PHE . 40.1 m-85 -109.92 135.0 51.47 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.185 179.382 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 21.2 t80 -132.77 122.27 24.27 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.464 -179.639 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 27' ' ' THR . . . . . 0.561 HG22 ' HA3' ' D' ' 23' ' ' GLY . 1.7 p -128.83 99.36 22.69 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.5 -179.438 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 28' ' ' PRO . . . . . 0.927 ' HG3' ' HB2' ' D' ' 16' ' ' TYR . 96.5 Cg_endo -78.9 50.94 3.64 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.995 2.463 . . . . 0.0 112.241 179.537 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.456 ' O ' ' HA3' ' A' ' 1' ' ' GLY . 20.7 ptmt -109.36 157.95 18.39 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.771 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 25.8 m . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.628 -0.701 . . . . 0.0 110.317 -179.878 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 1' ' ' GLY . . . . . 0.449 ' HA3' ' O ' ' D' ' 29' ' ' LYS . . . . . . . . 0 N--CA 1.488 2.107 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 5.0 tt -49.92 -42.54 18.89 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 N-CA-C 112.789 0.663 . . . . 0.0 112.789 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 3' ' ' VAL . . . . . 0.57 HG11 ' HG3' ' D' ' 4' ' ' GLN . 21.8 t -53.46 -55.64 12.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -179.558 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -61.74 -42.02 98.43 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.847 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -57.76 -41.09 81.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.065 179.139 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 6' ' ' CYS . . . . . 0.42 ' HB2' HD13 ' D' ' 11' ' ' LEU . 80.5 m -89.96 2.01 55.61 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -179.19 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 7' ' ' CYS . . . . . . . . . . . . . 9.5 t -112.26 -19.48 12.21 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.906 0.384 . . . . 0.0 111.265 -179.552 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 12.4 t -75.53 -25.77 57.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.376 -179.118 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 27.1 t -160.68 12.1 0.1 Allowed 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 121.013 -0.275 . . . . 0.0 111.447 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 2.4 mp 66.09 117.68 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 CA-C-O 121.645 0.736 . . . . 0.0 111.174 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 65.9 m -71.08 141.0 50.85 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.566 179.645 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 34.1 t -80.58 165.87 21.66 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 177.665 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 9.3 mp -60.39 -31.48 70.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.047 0.451 . . . . 0.0 110.523 179.432 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -70.89 -17.61 62.7 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.98 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -94.88 -39.03 10.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.902 0.382 . . . . 0.0 110.358 179.112 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 88.5 mt -67.33 -31.17 71.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.087 0.47 . . . . 0.0 110.472 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.86 -30.03 65.47 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.341 179.671 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -61.64 -24.61 66.84 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.949 179.588 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -107.88 8.62 28.68 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.819 -177.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 8.1 t -79.46 149.59 31.51 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.755 -179.62 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 . . . . . 0 C--O 1.252 1.187 0 CA-C-O 118.287 -0.863 . . . . 0.0 110.424 -179.794 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 53.0 t80 . . . . . 0 N--CA 1.48 1.038 0 N-CA-C 111.641 0.237 . . . . 0.0 111.641 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 2' ' ' VAL . . . . . 0.512 ' O ' ' HG ' ' D' ' 6' ' ' LEU . 15.1 m -74.14 -39.48 50.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 120.37 -0.532 . . . . 0.0 111.326 -179.122 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 3' ' ' ASN . . . . . 0.557 ' O ' ' HB3' ' D' ' 7' ' ' CYS . 23.9 m-20 -72.41 -4.48 30.42 Favored 'General case' 0 C--O 1.217 -0.632 0 CA-C-O 121.351 0.596 . . . . 0.0 110.064 178.388 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 4' ' ' GLN . . . . . 0.57 ' HG3' HG11 ' C' ' 3' ' ' VAL . 29.6 tt0 -72.41 -17.41 61.8 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 178.103 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 5' ' ' HIS . . . . . 0.45 ' HA ' ' HE2' ' B' ' 16' ' ' TYR . 52.4 t-80 -113.72 -2.38 13.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.984 178.787 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 6' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' D' ' 2' ' ' VAL . 7.6 mt -113.89 -39.72 3.91 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.419 0.628 . . . . 0.0 110.015 -179.3 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 7' ' ' CYS . . . . . 0.557 ' HB3' ' O ' ' D' ' 3' ' ' ASN . 0.3 OUTLIER -88.95 -33.1 17.35 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 177.924 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' D' D ' 8' ' ' GLY . . . . . . . . . . . . . . . -61.92 -26.42 67.18 Favored Glycine 0 N--CA 1.449 -0.45 0 CA-C-N 115.555 -0.748 . . . . 0.0 112.594 178.612 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.4 10.71 2.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.936 0.398 . . . . 0.0 111.748 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 10' ' ' HIS . . . . . . . . . . . . . 37.4 m-70 -114.16 -39.33 3.92 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 178.164 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 11' ' ' LEU . . . . . 0.443 ' H ' ' HG ' ' D' ' 11' ' ' LEU . 0.1 OUTLIER -64.84 -25.56 67.95 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.922 179.286 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 6.2 m -60.54 -49.18 85.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 112.978 0.732 . . . . 0.0 112.978 -179.435 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 13' ' ' GLU . . . . . 0.868 ' HA ' ' HE1' ' D' ' 16' ' ' TYR . 64.2 tt0 -66.58 -33.34 75.46 Favored 'General case' 0 CA--C 1.52 -0.182 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.357 -179.289 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.52 -39.62 77.44 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.763 179.164 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 12.1 mt -57.62 -54.53 45.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.369 -179.645 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 16' ' ' TYR . . . . . 0.927 ' HB2' ' HG3' ' B' ' 28' ' ' PRO . 3.5 p90 -80.28 3.98 19.19 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 119.55 -0.86 . . . . 0.0 111.032 -179.728 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 17' ' ' LEU . . . . . 0.59 ' HB2' ' O ' ' D' ' 13' ' ' GLU . 5.3 tt -88.92 -44.96 10.06 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 177.666 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 87.9 t -64.79 -39.99 87.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.659 178.667 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 19' ' ' CYS . . . . . 0.821 ' HB3' ' HB2' ' D' ' 22' ' ' ARG . 93.8 m -78.35 -20.94 50.27 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.031 179.604 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.61 -100.77 0.77 Allowed Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 121.079 -0.581 . . . . 0.0 112.264 179.74 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -98.33 0.25 45.13 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.386 0.612 . . . . 0.0 109.886 179.361 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 22' ' ' ARG . . . . . 0.821 ' HB2' ' HB3' ' D' ' 19' ' ' CYS . 42.9 mtp85 -87.01 152.58 22.26 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.24 178.696 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 23' ' ' GLY . . . . . 0.74 ' HA2' ' HD2' ' B' ' 28' ' ' PRO . . . -90.53 -167.87 42.02 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.526 -0.845 . . . . 0.0 112.294 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 24' ' ' PHE . . . . . 0.741 ' CE1' ' HB3' ' D' ' 16' ' ' TYR . 16.8 p90 -167.79 170.67 10.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.273 0.558 . . . . 0.0 110.759 179.749 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 25' ' ' PHE . . . . . 0.547 ' HD1' ' HD1' ' B' ' 25' ' ' PHE . 40.0 m-85 -109.36 136.7 48.36 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.161 -0.927 . . . . 0.0 108.994 179.153 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 26' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -134.61 120.26 19.37 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.624 -179.638 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 27' ' ' THR . . . . . 0.609 HG22 ' HA3' ' B' ' 23' ' ' GLY . 3.0 p -126.76 100.13 28.52 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-O 120.941 0.401 . . . . 0.0 111.755 -179.767 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 28' ' ' PRO . . . . . 0.934 ' HG3' ' HB2' ' B' ' 16' ' ' TYR . 94.2 Cg_endo -78.93 50.71 3.56 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.897 2.398 . . . . 0.0 112.07 179.556 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 29' ' ' LYS . . . . . 0.449 ' O ' ' HA3' ' C' ' 1' ' ' GLY . 20.3 ptmt -109.15 157.11 19.08 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.101 179.751 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 24.8 m . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.562 -0.733 . . . . 0.0 110.142 -179.828 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' E' E ' 1' ' ' GLY . . . . . 0.402 ' HA3' ' O ' ' F' ' 29' ' ' LYS . . . . . . . . 0 N--CA 1.489 2.182 0 N-CA-C 112.727 -0.149 . . . . 0.0 112.727 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 2' ' ' ILE . . . . . . . . . . . . . 4.9 tt -50.38 -42.48 21.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 3' ' ' VAL . . . . . 0.581 HG11 ' HG3' ' F' ' 4' ' ' GLN . 21.8 t -53.54 -54.87 16.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 111.743 0.275 . . . . 0.0 111.743 -179.645 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 4' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -62.35 -42.33 99.31 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.722 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -56.94 -42.7 80.55 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.402 0.62 . . . . 0.0 110.998 179.218 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 6' ' ' CYS . . . . . 0.414 ' HB2' HD13 ' F' ' 11' ' ' LEU . 86.5 m -88.63 2.31 53.41 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.052 -0.522 . . . . 0.0 112.333 -179.016 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 7' ' ' CYS . . . . . . . . . . . . . 9.3 t -112.04 -20.96 11.77 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.86 0.362 . . . . 0.0 111.188 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 8.9 t -74.6 -24.49 58.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.697 -179.137 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 9' ' ' SER . . . . . . . . . . . . . 22.8 t -161.06 10.09 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 121.074 -0.25 . . . . 0.0 111.449 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 10' ' ' ILE . . . . . . . . . . . . . 2.4 mp 67.84 119.11 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 CA-C-O 121.36 0.6 . . . . 0.0 110.893 -179.605 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 11' ' ' CYS . . . . . . . . . . . . . 61.9 m -72.92 140.33 47.4 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.434 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 12' ' ' SER . . . . . . . . . . . . . 34.7 t -79.58 165.61 22.76 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 177.718 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 9.5 mp -60.18 -32.63 71.25 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.084 0.469 . . . . 0.0 110.448 179.657 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -69.61 -16.54 63.41 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.483 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -96.02 -38.78 10.07 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.857 0.361 . . . . 0.0 110.206 179.167 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 16' ' ' LEU . . . . . . . . . . . . . 85.8 mt -67.6 -31.17 71.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.466 179.732 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.86 -29.43 64.99 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.482 179.608 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 18' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -61.71 -26.51 68.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.896 179.518 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 19' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -106.31 9.24 32.01 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.949 -177.636 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 20' ' ' CYS . . . . . . . . . . . . . 8.1 t -79.22 151.81 30.99 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.832 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 21' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.301 -0.857 . . . . 0.0 110.517 -179.732 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' F' F ' 1' ' ' PHE . . . . . 0.422 ' O ' ' HB3' ' F' ' 4' ' ' GLN . 51.6 t80 . . . . . 0 N--CA 1.482 1.139 0 N-CA-C 111.607 0.225 . . . . 0.0 111.607 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 2' ' ' VAL . . . . . 0.503 ' O ' ' HG ' ' F' ' 6' ' ' LEU . 17.1 m -72.15 -40.52 66.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 120.664 -0.414 . . . . 0.0 111.438 -179.131 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' F' F ' 3' ' ' ASN . . . . . 0.553 ' O ' ' HB3' ' F' ' 7' ' ' CYS . 24.5 m-20 -71.52 -5.31 32.17 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-O 121.151 0.5 . . . . 0.0 110.026 178.52 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' F' F ' 4' ' ' GLN . . . . . 0.581 ' HG3' HG11 ' E' ' 3' ' ' VAL . 28.4 tt0 -71.6 -17.71 62.26 Favored 'General case' 0 C--N 1.315 -0.911 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 178.138 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' F' F ' 5' ' ' HIS . . . . . 0.445 ' HA ' ' HE2' ' H' ' 16' ' ' TYR . 52.5 t-80 -113.31 -2.44 14.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.082 178.759 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' F' F ' 6' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' F' ' 2' ' ' VAL . 7.8 mt -113.89 -41.0 3.63 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.398 0.618 . . . . 0.0 109.962 -179.365 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' F' F ' 7' ' ' CYS . . . . . 0.553 ' HB3' ' O ' ' F' ' 3' ' ' ASN . 0.4 OUTLIER -87.21 -33.53 19.3 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.262 -0.881 . . . . 0.0 108.725 177.643 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' F' F ' 8' ' ' GLY . . . . . . . . . . . . . . . -61.95 -26.29 67.07 Favored Glycine 0 N--CA 1.45 -0.421 0 CA-C-N 115.468 -0.787 . . . . 0.0 112.77 178.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.43 10.36 3.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.066 0.46 . . . . 0.0 111.663 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' F' F ' 10' ' ' HIS . . . . . . . . . . . . . 37.7 m-70 -113.74 -39.67 3.96 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 178.091 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 11' ' ' LEU . . . . . 0.424 ' H ' ' HG ' ' F' ' 11' ' ' LEU . 0.1 OUTLIER -64.45 -25.44 68.01 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.979 179.257 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 5.7 m -60.69 -49.3 85.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -179.244 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 13' ' ' GLU . . . . . 0.862 ' HA ' ' HE1' ' F' ' 16' ' ' TYR . 65.0 tt0 -66.2 -34.01 77.05 Favored 'General case' 0 CA--C 1.522 -0.117 0 C-N-CA 120.661 -0.415 . . . . 0.0 110.509 -179.453 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' F' F ' 14' ' ' ALA . . . . . 0.401 ' O ' HG23 ' F' ' 18' ' ' VAL . . . -68.82 -39.98 79.73 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.926 179.006 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' F' F ' 15' ' ' LEU . . . . . . . . . . . . . 12.0 mt -57.41 -54.87 41.88 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.996 -0.547 . . . . 0.0 112.196 -179.664 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 16' ' ' TYR . . . . . 0.926 ' HB2' ' HG3' ' H' ' 28' ' ' PRO . 3.5 p90 -79.76 3.62 18.89 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 119.669 -0.812 . . . . 0.0 111.335 -179.695 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' F' F ' 17' ' ' LEU . . . . . 0.579 ' HB2' ' O ' ' F' ' 13' ' ' GLU . 5.3 tt -88.58 -45.41 9.91 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 107.784 -1.191 . . . . 0.0 107.784 177.483 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' F' F ' 18' ' ' VAL . . . . . 0.401 HG23 ' O ' ' F' ' 14' ' ' ALA . 93.4 t -64.3 -40.57 89.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.115 -0.948 . . . . 0.0 109.725 178.578 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' F' F ' 19' ' ' CYS . . . . . 0.841 ' HB3' ' HB2' ' F' ' 22' ' ' ARG . 91.8 m -77.95 -20.7 52.26 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.659 -0.701 . . . . 0.0 111.002 179.508 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' F' F ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.15 -102.53 0.94 Allowed Glycine 0 N--CA 1.453 -0.208 0 C-N-CA 120.909 -0.663 . . . . 0.0 111.96 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 21' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -96.25 -0.93 49.08 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.167 0.508 . . . . 0.0 109.987 179.401 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 22' ' ' ARG . . . . . 0.841 ' HB2' ' HB3' ' F' ' 19' ' ' CYS . 43.5 mtp85 -85.76 152.64 22.88 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.513 178.804 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' F' F ' 23' ' ' GLY . . . . . 0.729 ' HA2' ' HD2' ' H' ' 28' ' ' PRO . . . -90.57 -167.49 41.74 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.336 -0.935 . . . . 0.0 112.394 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' F' F ' 24' ' ' PHE . . . . . 0.736 ' CE1' ' HB3' ' F' ' 16' ' ' TYR . 17.7 p90 -168.07 171.25 9.74 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-O 121.236 0.541 . . . . 0.0 110.917 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' F' F ' 25' ' ' PHE . . . . . 0.553 ' HD1' ' HD1' ' H' ' 25' ' ' PHE . 40.4 m-85 -110.32 135.71 50.63 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.239 -0.891 . . . . 0.0 109.189 179.338 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' F' F ' 26' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -133.1 121.76 23.11 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.52 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 27' ' ' THR . . . . . 0.572 HG22 ' HA3' ' H' ' 23' ' ' GLY . 1.6 p -128.32 99.81 23.82 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.497 -179.596 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' F' F ' 28' ' ' PRO . . . . . 0.901 ' HG3' ' HB2' ' H' ' 16' ' ' TYR . 94.0 Cg_endo -79.2 50.34 3.46 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.97 2.447 . . . . 0.0 112.199 179.601 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' F' F ' 29' ' ' LYS . . . . . 0.402 ' O ' ' HA3' ' E' ' 1' ' ' GLY . 20.3 ptmt -107.91 159.68 16.34 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.907 179.455 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' F' F ' 30' ' ' THR . . . . . . . . . . . . . 31.8 m . . . . . 0 C--O 1.247 0.969 0 CA-C-O 118.464 -0.779 . . . . 0.0 110.242 -179.863 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' G' G ' 1' ' ' GLY . . . . . 0.463 ' HA3' ' O ' ' H' ' 29' ' ' LYS . . . . . . . . 0 N--CA 1.487 2.098 0 CA-C-O 120.81 0.117 . . . . 0.0 112.914 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 2' ' ' ILE . . . . . . . . . . . . . 4.9 tt -51.47 -42.79 29.53 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 3' ' ' VAL . . . . . 0.598 HG11 ' HG3' ' H' ' 4' ' ' GLN . 22.1 t -53.34 -55.05 14.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 120.695 0.283 . . . . 0.0 111.687 -179.628 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' G' G ' 4' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -62.24 -42.27 99.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.659 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 5' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -57.24 -41.77 80.21 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.403 0.62 . . . . 0.0 111.042 179.332 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 6' ' ' CYS . . . . . 0.422 ' HB2' HD13 ' H' ' 11' ' ' LEU . 80.1 m -89.52 2.3 54.78 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.993 -0.548 . . . . 0.0 112.244 -178.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' G' G ' 7' ' ' CYS . . . . . . . . . . . . . 9.9 t -112.27 -20.16 11.95 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.875 0.369 . . . . 0.0 110.946 -179.613 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 8' ' ' THR . . . . . . . . . . . . . 10.3 t -75.88 -22.51 56.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.581 -0.282 . . . . 0.0 111.627 -179.048 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 9' ' ' SER . . . . . . . . . . . . . 18.2 t -163.69 11.6 0.05 Allowed 'General case' 0 C--N 1.328 -0.335 0 O-C-N 122.244 -0.285 . . . . 0.0 111.231 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 10' ' ' ILE . . . . . . . . . . . . . 2.4 mp 66.18 117.82 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 CA-C-O 121.378 0.608 . . . . 0.0 111.234 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 11' ' ' CYS . . . . . . . . . . . . . 65.4 m -71.09 141.78 50.83 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.44 179.519 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 12' ' ' SER . . . . . . . . . . . . . 48.1 t -81.53 165.8 20.84 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 177.626 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 13' ' ' LEU . . . . . . . . . . . . . 9.3 mp -59.65 -32.55 70.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.103 0.478 . . . . 0.0 110.485 179.504 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -70.06 -16.58 63.16 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.527 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -96.05 -39.31 9.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.944 0.402 . . . . 0.0 110.193 179.133 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 16' ' ' LEU . . . . . . . . . . . . . 85.7 mt -66.96 -30.7 70.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.504 179.71 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.18 -30.43 66.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.394 179.663 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' G' G ' 18' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -61.02 -25.04 66.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.672 -0.695 . . . . 0.0 112.025 179.38 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 19' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -107.56 8.68 29.39 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.931 -177.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 20' ' ' CYS . . . . . . . . . . . . . 8.1 t -79.03 150.03 32.02 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.702 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 21' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 . . . . . 0 C--O 1.246 0.896 0 CA-C-O 118.245 -0.883 . . . . 0.0 109.962 179.99 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' H' H ' 1' ' ' PHE . . . . . 0.41 ' O ' ' HB3' ' H' ' 4' ' ' GLN . 53.0 t80 . . . . . 0 N--CA 1.479 1.0 0 CA-C-O 120.474 0.178 . . . . 0.0 111.156 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' H' H ' 2' ' ' VAL . . . . . 0.507 ' O ' ' HG ' ' H' ' 6' ' ' LEU . 16.5 m -73.37 -39.56 55.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 C-N-CA 120.472 -0.491 . . . . 0.0 111.337 -179.258 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' H' H ' 3' ' ' ASN . . . . . 0.56 ' O ' ' HB3' ' H' ' 7' ' ' CYS . 28.3 m-20 -72.34 -5.43 36.23 Favored 'General case' 0 C--O 1.217 -0.652 0 CA-C-O 121.249 0.547 . . . . 0.0 109.995 178.448 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' H' H ' 4' ' ' GLN . . . . . 0.598 ' HG3' HG11 ' G' ' 3' ' ' VAL . 28.4 tt0 -71.59 -17.98 62.26 Favored 'General case' 0 C--N 1.313 -0.992 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 178.212 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' H' H ' 5' ' ' HIS . . . . . 0.427 ' HA ' ' HE2' ' F' ' 16' ' ' TYR . 52.4 t-80 -112.8 -3.01 14.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.049 178.856 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' H' H ' 6' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' H' ' 2' ' ' VAL . 7.6 mt -113.51 -40.27 3.88 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.519 0.676 . . . . 0.0 109.963 -179.22 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' H' H ' 7' ' ' CYS . . . . . 0.56 ' HB3' ' O ' ' H' ' 3' ' ' ASN . 0.4 OUTLIER -87.88 -33.5 18.51 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.218 -0.901 . . . . 0.0 108.587 177.907 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' H' H ' 8' ' ' GLY . . . . . . . . . . . . . . . -61.72 -26.82 67.36 Favored Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 115.284 -0.871 . . . . 0.0 112.74 178.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' H' H ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.97 10.07 3.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.982 0.42 . . . . 0.0 111.684 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' H' H ' 10' ' ' HIS . . . . . . . . . . . . . 36.9 m-70 -113.52 -39.72 4.01 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 178.193 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' H' H ' 11' ' ' LEU . . . . . 0.443 ' H ' ' HG ' ' H' ' 11' ' ' LEU . 0.1 OUTLIER -64.33 -25.69 68.15 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.074 -0.967 . . . . 0.0 110.055 179.27 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 6.1 m -60.49 -49.48 84.19 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -179.472 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' H' H ' 13' ' ' GLU . . . . . 0.867 ' HA ' ' HE1' ' H' ' 16' ' ' TYR . 64.3 tt0 -65.77 -34.44 78.18 Favored 'General case' 0 CA--C 1.522 -0.125 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.387 -179.466 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' H' H ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.63 -39.64 80.67 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.985 179.107 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' H' H ' 15' ' ' LEU . . . . . . . . . . . . . 12.0 mt -57.7 -54.6 45.09 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.076 -0.511 . . . . 0.0 112.311 -179.55 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' H' H ' 16' ' ' TYR . . . . . 0.901 ' HB2' ' HG3' ' F' ' 28' ' ' PRO . 3.6 p90 -79.98 3.48 19.95 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 119.647 -0.821 . . . . 0.0 111.163 -179.77 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' H' H ' 17' ' ' LEU . . . . . 0.579 ' HB2' ' O ' ' H' ' 13' ' ' GLU . 5.3 tt -88.38 -44.99 10.36 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 177.63 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 84.3 t -64.52 -41.08 91.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 114.99 -1.005 . . . . 0.0 109.613 178.756 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' H' H ' 19' ' ' CYS . . . . . 0.824 ' HB3' ' HB2' ' H' ' 22' ' ' ARG . 95.4 m -77.09 -22.39 52.85 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.071 179.614 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' H' H ' 20' ' ' GLY . . . . . . . . . . . . . . . 70.99 -101.36 0.94 Allowed Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.122 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' H' H ' 21' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -97.05 -1.84 44.53 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.277 0.56 . . . . 0.0 109.697 179.174 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' H' H ' 22' ' ' ARG . . . . . 0.824 ' HB2' ' HB3' ' H' ' 19' ' ' CYS . 46.2 mtp85 -84.7 152.15 23.94 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.267 -0.878 . . . . 0.0 109.618 178.772 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' H' H ' 23' ' ' GLY . . . . . 0.718 ' HA2' ' HD2' ' F' ' 28' ' ' PRO . . . -90.38 -167.53 41.93 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.512 -0.851 . . . . 0.0 112.312 -179.776 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' H' H ' 24' ' ' PHE . . . . . 0.75 ' CE1' ' HB3' ' H' ' 16' ' ' TYR . 18.3 p90 -168.16 171.21 9.64 Favored 'General case' 0 C--O 1.24 0.571 0 CA-C-O 121.175 0.512 . . . . 0.0 110.826 179.77 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' H' H ' 25' ' ' PHE . . . . . 0.553 ' HD1' ' HD1' ' F' ' 25' ' ' PHE . 40.3 m-85 -110.28 136.38 49.56 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.153 179.319 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' H' H ' 26' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -134.34 120.87 20.43 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.393 -0.523 . . . . 0.0 110.403 -179.44 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' H' H ' 27' ' ' THR . . . . . 0.571 HG22 ' HA3' ' F' ' 23' ' ' GLY . 1.9 p -127.14 99.42 28.35 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.492 -179.57 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' H' H ' 28' ' ' PRO . . . . . 0.926 ' HG3' ' HB2' ' F' ' 16' ' ' TYR . 94.1 Cg_endo -78.95 51.57 3.9 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.82 2.347 . . . . 0.0 111.93 179.547 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' H' H ' 29' ' ' LYS . . . . . 0.463 ' O ' ' HA3' ' G' ' 1' ' ' GLY . 20.5 ptmt -109.65 157.02 19.51 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.84 179.8 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' H' H ' 30' ' ' THR . . . . . . . . . . . . . 25.7 m . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.216 -0.897 . . . . 0.0 109.928 -179.73 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' I' I ' 1' ' ' GLY . . . . . 0.451 ' HA3' ' O ' ' J' ' 29' ' ' LYS . . . . . . . . 0 N--CA 1.488 2.12 0 N-CA-C 112.853 -0.099 . . . . 0.0 112.853 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' I' I ' 2' ' ' ILE . . . . . . . . . . . . . 5.2 tt -50.2 -42.36 20.02 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' I' I ' 3' ' ' VAL . . . . . 0.578 HG11 ' HG3' ' J' ' 4' ' ' GLN . 22.5 t -53.91 -55.25 14.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -179.473 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' I' I ' 4' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -62.15 -41.7 98.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.814 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' I' I ' 5' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -57.54 -42.49 83.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.426 0.631 . . . . 0.0 110.913 179.09 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' I' I ' 6' ' ' CYS . . . . . 0.432 ' HB2' HD13 ' J' ' 11' ' ' LEU . 82.1 m -88.38 1.35 54.86 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.876 -0.602 . . . . 0.0 112.256 -179.166 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' I' I ' 7' ' ' CYS . . . . . . . . . . . . . 9.7 t -112.42 -17.65 12.64 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.924 0.393 . . . . 0.0 111.356 -179.527 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' I' I ' 8' ' ' THR . . . . . . . . . . . . . 8.9 t -78.06 -23.4 48.1 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.273 -179.259 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' I' I ' 9' ' ' SER . . . . . . . . . . . . . 22.3 t -162.56 12.45 0.07 Allowed 'General case' 0 C--O 1.233 0.226 0 C-N-CA 121.05 -0.26 . . . . 0.0 111.135 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' I' I ' 10' ' ' ILE . . . . . 0.427 ' HA ' ' O ' ' I' ' 6' ' ' CYS . 2.4 mp 65.46 118.53 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 CA-C-O 121.5 0.667 . . . . 0.0 111.145 -179.622 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' I' I ' 11' ' ' CYS . . . . . . . . . . . . . 63.4 m -72.0 141.07 49.36 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.287 179.727 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' I' I ' 12' ' ' SER . . . . . . . . . . . . . 41.6 t -80.79 165.97 21.4 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 177.483 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' I' I ' 13' ' ' LEU . . . . . . . . . . . . . 9.4 mp -60.11 -31.16 69.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.145 0.498 . . . . 0.0 110.547 179.603 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -71.06 -17.92 62.58 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.031 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -94.91 -38.84 10.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.941 0.4 . . . . 0.0 110.335 179.097 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' I' I ' 16' ' ' LEU . . . . . . . . . . . . . 86.8 mt -67.41 -30.84 70.7 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.106 0.479 . . . . 0.0 110.494 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' I' I ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.23 -30.91 66.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.383 179.646 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' I' I ' 18' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -59.77 -26.17 65.49 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.011 179.284 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' I' I ' 19' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -106.61 8.51 31.24 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.955 -177.753 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' I' I ' 20' ' ' CYS . . . . . . . . . . . . . 8.1 t -78.93 150.45 32.09 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.742 -179.618 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' I' I ' 21' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 . . . . . 0 C--O 1.248 0.984 0 CA-C-O 118.178 -0.915 . . . . 0.0 110.696 -179.719 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' J' J ' 1' ' ' PHE . . . . . . . . . . . . . 53.2 t80 . . . . . 0 N--CA 1.48 1.056 0 CA-C-O 120.542 0.21 . . . . 0.0 111.54 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' J' J ' 2' ' ' VAL . . . . . 0.499 ' O ' ' HG ' ' J' ' 6' ' ' LEU . 16.8 m -73.98 -39.93 51.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 C-N-CA 120.335 -0.546 . . . . 0.0 111.272 -179.194 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' J' J ' 3' ' ' ASN . . . . . 0.557 ' O ' ' HB3' ' J' ' 7' ' ' CYS . 20.8 m-20 -72.22 -5.18 33.98 Favored 'General case' 0 C--O 1.217 -0.631 0 CA-C-O 121.273 0.559 . . . . 0.0 110.108 178.594 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' J' J ' 4' ' ' GLN . . . . . 0.578 ' HG3' HG11 ' I' ' 3' ' ' VAL . 28.5 tt0 -71.59 -17.61 62.28 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 177.843 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' J' J ' 5' ' ' HIS . . . . . 0.44 ' HA ' ' HE2' ' L' ' 16' ' ' TYR . 52.8 t-80 -113.28 -2.7 13.98 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.986 178.813 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' J' J ' 6' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' J' ' 2' ' ' VAL . 7.6 mt -113.84 -40.22 3.82 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.375 0.607 . . . . 0.0 109.986 -179.295 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' J' J ' 7' ' ' CYS . . . . . 0.557 ' HB3' ' O ' ' J' ' 3' ' ' ASN . 0.4 OUTLIER -88.31 -33.09 18.13 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 108.563 -0.902 . . . . 0.0 108.563 177.76 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' J' J ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.46 -25.88 67.48 Favored Glycine 0 C--N 1.333 0.396 0 CA-C-N 115.654 -0.703 . . . . 0.0 112.484 178.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' J' J ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.59 10.46 3.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.104 0.478 . . . . 0.0 111.646 179.757 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' J' J ' 10' ' ' HIS . . . . . . . . . . . . . 36.2 m-70 -113.78 -39.53 3.99 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 178.085 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' J' J ' 11' ' ' LEU . . . . . 0.458 ' H ' ' HG ' ' J' ' 11' ' ' LEU . 0.1 OUTLIER -64.44 -25.69 68.12 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.145 179.188 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 6.6 m -60.63 -49.08 85.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 -179.569 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' J' J ' 13' ' ' GLU . . . . . 0.861 ' HA ' ' HE1' ' J' ' 16' ' ' TYR . 63.4 tt0 -66.32 -34.01 77.02 Favored 'General case' 0 CA--C 1.521 -0.154 0 C-N-CA 120.475 -0.49 . . . . 0.0 110.209 -179.474 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' J' J ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.59 -40.41 80.51 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.048 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' J' J ' 15' ' ' LEU . . . . . . . . . . . . . 11.9 mt -57.18 -54.96 40.8 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.376 -179.55 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' J' J ' 16' ' ' TYR . . . . . 0.93 ' HB2' ' HG3' ' L' ' 28' ' ' PRO . 3.5 p90 -79.57 3.14 19.79 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 119.479 -0.889 . . . . 0.0 111.152 -179.745 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' J' J ' 17' ' ' LEU . . . . . 0.57 ' HB2' ' O ' ' J' ' 13' ' ' GLU . 5.3 tt -87.78 -45.19 10.54 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 177.594 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 89.9 t -64.5 -40.16 88.08 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-N 115.129 -0.941 . . . . 0.0 109.852 178.593 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' J' J ' 19' ' ' CYS . . . . . 0.829 ' HB3' ' HB2' ' J' ' 22' ' ' ARG . 93.8 m -78.24 -20.63 51.34 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.138 179.555 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' J' J ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.61 -101.52 0.78 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 121.248 -0.501 . . . . 0.0 112.059 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' J' J ' 21' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -97.03 1.05 49.7 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.16 0.505 . . . . 0.0 110.068 179.465 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' J' J ' 22' ' ' ARG . . . . . 0.829 ' HB2' ' HB3' ' J' ' 19' ' ' CYS . 41.7 mtp85 -88.65 150.4 23.04 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.469 179.081 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' J' J ' 23' ' ' GLY . . . . . 0.742 ' HA2' ' HD2' ' L' ' 28' ' ' PRO . . . -87.78 -168.53 44.57 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.465 -179.66 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' J' J ' 24' ' ' PHE . . . . . 0.753 ' CE1' ' HB3' ' J' ' 16' ' ' TYR . 17.7 p90 -167.78 170.51 10.76 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-O 121.21 0.529 . . . . 0.0 110.875 179.652 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' J' J ' 25' ' ' PHE . . . . . 0.543 ' HD1' ' HD1' ' L' ' 25' ' ' PHE . 39.2 m-85 -109.45 136.1 49.4 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.283 179.318 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' J' J ' 26' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -133.49 121.28 21.95 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.508 -179.509 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' J' J ' 27' ' ' THR . . . . . 0.583 HG22 ' HA3' ' L' ' 23' ' ' GLY . 1.8 p -128.11 99.33 25.2 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.388 -179.63 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' J' J ' 28' ' ' PRO . . . . . 0.92 ' HG3' ' HB2' ' L' ' 16' ' ' TYR . 95.7 Cg_endo -78.6 51.04 3.61 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 123.04 2.493 . . . . 0.0 111.975 179.479 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' J' J ' 29' ' ' LYS . . . . . 0.451 ' O ' ' HA3' ' I' ' 1' ' ' GLY . 20.2 ptmt -109.77 155.94 20.95 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.951 179.775 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' J' J ' 30' ' ' THR . . . . . . . . . . . . . 23.7 m . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.367 -0.825 . . . . 0.0 110.147 -179.788 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' K' K ' 1' ' ' GLY . . . . . 0.435 ' HA3' ' O ' ' L' ' 29' ' ' LYS . . . . . . . . 0 N--CA 1.488 2.125 0 CA-C-O 120.866 0.148 . . . . 0.0 112.734 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' K' K ' 2' ' ' ILE . . . . . . . . . . . . . 5.0 tt -50.59 -42.74 22.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 N-CA-C 112.505 0.558 . . . . 0.0 112.505 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' K' K ' 3' ' ' VAL . . . . . 0.574 HG11 ' HG3' ' L' ' 4' ' ' GLN . 22.0 t -53.5 -55.49 12.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 120.704 0.288 . . . . 0.0 111.613 -179.567 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' K' K ' 4' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -62.21 -41.79 98.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.713 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' K' K ' 5' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -57.5 -42.2 82.25 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.392 0.615 . . . . 0.0 110.918 179.399 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' K' K ' 6' ' ' CYS . . . . . 0.437 ' HB2' HD13 ' L' ' 11' ' ' LEU . 82.0 m -89.07 2.28 54.31 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.269 -179.213 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' K' K ' 7' ' ' CYS . . . . . . . . . . . . . 9.8 t -112.66 -18.58 12.32 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.878 0.37 . . . . 0.0 110.964 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' K' K ' 8' ' ' THR . . . . . . . . . . . . . 9.2 t -76.99 -22.7 52.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.626 -179.05 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' K' K ' 9' ' ' SER . . . . . . . . . . . . . 21.4 t -163.42 11.4 0.06 Allowed 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 121.281 -0.168 . . . . 0.0 111.158 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' K' K ' 10' ' ' ILE . . . . . 0.412 ' HA ' ' O ' ' K' ' 6' ' ' CYS . 2.5 mp 66.48 119.18 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 CA-C-O 121.384 0.611 . . . . 0.0 111.085 -179.598 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' K' K ' 11' ' ' CYS . . . . . . . . . . . . . 63.4 m -72.79 141.35 48.06 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.262 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' K' K ' 12' ' ' SER . . . . . . . . . . . . . 45.3 t -80.86 166.02 21.29 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 177.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' K' K ' 13' ' ' LEU . . . . . . . . . . . . . 9.5 mp -60.27 -32.01 70.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.07 0.462 . . . . 0.0 110.342 179.528 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -70.17 -17.06 63.16 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.45 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -95.81 -39.32 9.9 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.898 0.38 . . . . 0.0 110.21 179.077 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' K' K ' 16' ' ' LEU . . . . . . . . . . . . . 87.4 mt -66.82 -31.01 71.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.435 179.624 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' K' K ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.22 -30.23 66.33 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.271 179.669 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' K' K ' 18' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -61.21 -24.84 66.63 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.759 -0.655 . . . . 0.0 112.07 179.411 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' K' K ' 19' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -107.6 8.34 29.13 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.941 -177.721 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' K' K ' 20' ' ' CYS . . . . . . . . . . . . . 8.1 t -78.79 150.68 32.3 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.893 0.378 . . . . 0.0 110.906 -179.662 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' K' K ' 21' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.521 -179.65 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' L' L ' 1' ' ' PHE . . . . . 0.43 ' O ' ' HB3' ' L' ' 4' ' ' GLN . 52.5 t80 . . . . . 0 N--CA 1.481 1.121 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' L' L ' 2' ' ' VAL . . . . . 0.495 ' O ' ' HG ' ' L' ' 6' ' ' LEU . 16.5 m -72.65 -39.54 60.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 C-N-CA 120.53 -0.468 . . . . 0.0 111.679 -178.777 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' L' L ' 3' ' ' ASN . . . . . 0.567 ' O ' ' HB3' ' L' ' 7' ' ' CYS . 25.3 m-20 -72.73 -4.7 32.97 Favored 'General case' 0 C--O 1.216 -0.679 0 CA-C-O 121.182 0.515 . . . . 0.0 109.808 178.558 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' L' L ' 4' ' ' GLN . . . . . 0.574 ' HG3' HG11 ' K' ' 3' ' ' VAL . 29.2 tt0 -72.01 -17.83 62.01 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 177.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' L' L ' 5' ' ' HIS . . . . . 0.437 ' HA ' ' HE2' ' J' ' 16' ' ' TYR . 53.0 t-80 -112.83 -2.86 14.27 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.995 178.741 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' L' L ' 6' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' L' ' 2' ' ' VAL . 8.0 mt -113.74 -39.77 3.94 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.487 0.661 . . . . 0.0 110.085 -179.146 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' L' L ' 7' ' ' CYS . . . . . 0.567 ' HB3' ' O ' ' L' ' 3' ' ' ASN . 0.5 OUTLIER -88.78 -33.63 17.38 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 178.072 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' L' L ' 8' ' ' GLY . . . . . . . . . . . . . . . -61.55 -26.6 66.78 Favored Glycine 0 N--CA 1.449 -0.44 0 CA-C-N 115.585 -0.734 . . . . 0.0 112.699 178.549 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' L' L ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.09 10.32 3.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.981 0.42 . . . . 0.0 111.721 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' L' L ' 10' ' ' HIS . . . . . . . . . . . . . 39.0 m-70 -113.82 -39.45 3.99 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 178.085 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' L' L ' 11' ' ' LEU . . . . . 0.474 ' H ' ' HG ' ' L' ' 11' ' ' LEU . 0.1 OUTLIER -64.72 -25.52 67.97 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.36 -0.837 . . . . 0.0 109.908 179.344 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' L' L ' 12' ' ' VAL . . . . . . . . . . . . . 5.8 m -60.68 -49.21 85.39 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 -179.382 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' L' L ' 13' ' ' GLU . . . . . 0.863 ' HA ' ' HE1' ' L' ' 16' ' ' TYR . 63.3 tt0 -66.18 -33.72 76.41 Favored 'General case' 0 CA--C 1.521 -0.163 0 C-N-CA 120.56 -0.456 . . . . 0.0 110.375 -179.529 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' L' L ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.1 -40.14 78.58 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.764 179.087 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' L' L ' 15' ' ' LEU . . . . . . . . . . . . . 12.1 mt -57.16 -55.0 40.41 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.265 -179.673 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' L' L ' 16' ' ' TYR . . . . . 0.92 ' HB2' ' HG3' ' J' ' 28' ' ' PRO . 3.3 p90 -79.65 3.14 20.0 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 119.555 -0.858 . . . . 0.0 111.196 -179.705 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' L' L ' 17' ' ' LEU . . . . . 0.58 ' HB2' ' O ' ' L' ' 13' ' ' GLU . 5.3 tt -88.38 -44.41 10.79 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 107.807 -1.182 . . . . 0.0 107.807 177.696 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 87.3 t -65.29 -39.09 84.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.802 178.764 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' L' L ' 19' ' ' CYS . . . . . 0.841 ' HB3' ' HB2' ' L' ' 22' ' ' ARG . 92.8 m -79.26 -20.74 47.38 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.063 179.52 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' L' L ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.99 -101.01 0.75 Allowed Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 121.107 -0.568 . . . . 0.0 112.171 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' L' L ' 21' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -97.97 1.43 47.9 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.283 0.563 . . . . 0.0 109.836 179.208 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' L' L ' 22' ' ' ARG . . . . . 0.841 ' HB2' ' HB3' ' L' ' 19' ' ' CYS . 45.8 mtp85 -88.15 151.01 23.01 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.219 178.747 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' L' L ' 23' ' ' GLY . . . . . 0.765 ' HA2' ' HD2' ' J' ' 28' ' ' PRO . . . -88.96 -168.11 43.63 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.49 -0.862 . . . . 0.0 112.461 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' L' L ' 24' ' ' PHE . . . . . 0.737 ' CE1' ' HB3' ' L' ' 16' ' ' TYR . 17.4 p90 -167.61 171.24 10.41 Favored 'General case' 0 C--O 1.24 0.582 0 CA-C-O 121.272 0.558 . . . . 0.0 110.94 179.643 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' L' L ' 25' ' ' PHE . . . . . 0.543 ' HD1' ' HD1' ' J' ' 25' ' ' PHE . 40.1 m-85 -109.96 136.24 49.55 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.087 179.291 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' L' L ' 26' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -134.05 121.2 21.21 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.493 -179.653 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' L' L ' 27' ' ' THR . . . . . 0.568 HG22 ' HA3' ' J' ' 23' ' ' GLY . 1.9 p -127.58 99.62 26.57 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.406 -179.439 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' L' L ' 28' ' ' PRO . . . . . 0.93 ' HG3' ' HB2' ' J' ' 16' ' ' TYR . 94.3 Cg_endo -78.99 51.42 3.85 Favored 'Trans proline' 0 C--O 1.234 0.282 0 C-N-CA 122.987 2.458 . . . . 0.0 112.025 179.305 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' L' L ' 29' ' ' LYS . . . . . 0.435 ' O ' ' HA3' ' K' ' 1' ' ' GLY . 20.5 ptmt -110.44 156.76 20.38 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.827 179.777 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' L' L ' 30' ' ' THR . . . . . . . . . . . . . 24.6 m . . . . . 0 C--O 1.251 1.133 0 CA-C-O 118.551 -0.738 . . . . 0.0 109.637 -179.863 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 22' ' ' IPH . . . . . 0.512 ' H3 ' HD11 ' H' ' 17' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 22' ' ' IPH . . . . . 0.509 ' H3 ' HD11 ' J' ' 17' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 22' ' ' IPH . . . . . 0.512 ' H3 ' HD11 ' L' ' 17' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 22' ' ' IPH . . . . . 0.513 ' H3 ' HD11 ' B' ' 17' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' I' I ' 22' ' ' IPH . . . . . 0.525 ' H3 ' HD11 ' D' ' 17' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' K' K ' 22' ' ' IPH . . . . . 0.52 ' H3 ' HD11 ' F' ' 17' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.678 0 N-CA-C 111.939 -0.464 . . . . 0.0 111.939 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.418 HG23 HG23 ' A' ' 3' ' ' VAL . 4.7 tt -149.81 -41.98 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 120.805 0.336 . . . . 0.0 111.558 -179.591 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.819 HG21 ' HA ' ' B' ' 28' ' ' PRO . 3.1 t -82.44 -37.51 14.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -178.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -61.02 -44.0 98.05 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.494 -178.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.502 ' HG3' ' SG ' ' A' ' 11' ' ' CYS . 20.4 pt20 -73.59 -23.9 59.99 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -179.048 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 97.4 m -98.78 -33.4 10.92 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 113.725 1.009 . . . . 0.0 113.725 -177.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.588 ' HB2' HD11 ' B' ' 11' ' ' LEU . 48.9 t -76.3 0.05 20.74 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 -178.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.496 HG23 ' H ' ' A' ' 9' ' ' SER . 1.7 t -88.64 -63.91 1.23 Allowed 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.533 -0.467 . . . . 0.0 111.02 179.464 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.496 ' H ' HG23 ' A' ' 8' ' ' THR . 26.5 m -141.89 30.27 1.65 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 122.025 -0.422 . . . . 0.0 111.319 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.458 ' HB ' ' O ' ' A' ' 9' ' ' SER . 2.5 mp 71.42 144.57 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 CA-C-O 121.253 0.549 . . . . 0.0 111.384 179.378 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.502 ' SG ' ' HG3' ' A' ' 5' ' ' GLN . 88.6 m -102.27 167.46 9.97 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.107 0.48 . . . . 0.0 111.566 -179.377 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.605 ' HB3' ' HG3' ' A' ' 15' ' ' GLN . 40.0 t -79.9 154.52 28.28 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.62 178.446 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 22.0 tp -54.73 -45.54 74.1 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.524 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -66.32 -25.1 66.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.059 -0.519 . . . . 0.0 112.066 -178.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.605 ' HG3' ' HB3' ' A' ' 12' ' ' SER . 21.9 mt-30 -73.47 -39.67 64.72 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.929 0.395 . . . . 0.0 110.41 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 83.4 mt -68.22 -34.59 76.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.965 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -57.98 -24.69 59.13 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 115.813 -0.63 . . . . 0.0 112.167 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -72.25 -15.27 61.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.851 0.358 . . . . 0.0 111.192 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.5 ' HD1' ' HE1' ' B' ' 25' ' ' PHE . 59.8 m-85 -106.51 -2.95 21.4 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.921 0.391 . . . . 0.0 110.768 -179.288 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 12.3 t -74.89 149.51 39.46 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.108 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 . . . . . 0 C--O 1.252 1.2 0 CA-C-O 118.707 -0.663 . . . . 0.0 110.336 -179.44 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 7.4 p90 . . . . . 0 N--CA 1.487 1.398 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . 0.72 HG11 HD12 ' B' ' 6' ' ' LEU . 26.2 m 39.63 -138.25 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 124.196 0.998 . . . . 0.0 113.267 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -157.95 -171.56 3.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.772 0.32 . . . . 0.0 110.513 -178.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . 0.513 HE21 ' HB ' ' A' ' 3' ' ' VAL . 30.2 tt0 -50.06 -34.1 20.5 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 124.297 1.039 . . . . 0.0 111.475 178.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . 0.468 ' HE1' ' HA2' ' D' ' 20' ' ' GLY . 55.5 t60 -58.32 -15.67 11.28 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.152 -0.931 . . . . 0.0 113.053 -178.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.72 HD12 HG11 ' B' ' 2' ' ' VAL . 43.2 mt -127.18 -20.29 4.15 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.312 0.577 . . . . 0.0 110.959 179.193 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . 0.532 ' SG ' HG13 ' F' ' 2' ' ' VAL . 1.3 t -76.21 -33.08 59.26 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.475 179.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . 0.569 ' HA3' ' OH ' ' B' ' 26' ' ' TYR . . . -70.65 -22.14 77.94 Favored Glycine 0 N--CA 1.447 -0.588 0 CA-C-N 115.783 -0.644 . . . . 0.0 113.825 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . 0.876 ' HB2' ' HG2' ' D' ' 13' ' ' GLU . 18.2 p -66.0 -15.72 63.27 Favored 'General case' 0 C--O 1.225 -0.234 0 CA-C-N 117.274 0.537 . . . . 0.0 110.763 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -106.59 -20.59 13.32 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.609 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.588 HD11 ' HB2' ' A' ' 7' ' ' CYS . 73.4 mt -68.26 -37.32 80.62 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.299 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.612 ' HA ' ' HB2' ' B' ' 15' ' ' LEU . 4.9 m -67.33 -33.83 65.14 Favored 'Isoleucine or valine' 0 C--O 1.232 0.139 0 CA-C-N 115.085 -0.961 . . . . 0.0 111.647 179.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.877 ' HG2' ' HB2' ' D' ' 9' ' ' SER . 43.2 mt-10 -56.24 -41.86 76.41 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 121.136 0.493 . . . . 0.0 110.374 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . 0.474 ' O ' HG23 ' B' ' 18' ' ' VAL . . . -81.42 -33.76 31.96 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.516 178.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.612 ' HB2' ' HA ' ' B' ' 12' ' ' VAL . 3.0 mt -55.26 -55.04 35.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.419 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . 0.764 ' HB3' ' CE1' ' B' ' 24' ' ' PHE . 6.7 p90 -76.57 -14.82 59.98 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 119.643 -0.823 . . . . 0.0 111.351 -179.324 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.54 HD23 HD23 ' H' ' 17' ' ' LEU . 33.2 tp -69.43 -34.29 74.22 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 177.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.474 HG23 ' O ' ' B' ' 14' ' ' ALA . 96.1 t -68.13 -46.39 81.47 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.371 178.296 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . 0.688 ' HB3' ' HB2' ' B' ' 22' ' ' ARG . 85.5 m -66.69 -43.0 85.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.082 179.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . 0.465 ' HA2' ' HE1' ' D' ' 5' ' ' HIS . . . 68.14 -87.18 0.18 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 121.423 -0.418 . . . . 0.0 112.895 179.552 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -88.69 -6.6 57.35 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.97 0.414 . . . . 0.0 110.449 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . 0.688 ' HB2' ' HB3' ' B' ' 19' ' ' CYS . 19.9 mtt85 -104.08 172.69 6.66 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.094 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . 0.825 ' HA2' ' HD2' ' D' ' 28' ' ' PRO . . . -112.89 -159.91 14.2 Favored Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 178.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . 0.764 ' CE1' ' HB3' ' B' ' 16' ' ' TYR . 8.4 p90 -173.44 158.44 3.48 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.025 0.441 . . . . 0.0 110.514 179.435 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . 0.5 ' HE1' ' HD1' ' A' ' 19' ' ' TYR . 4.1 p90 -104.44 124.45 49.26 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 178.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.569 ' OH ' ' HA3' ' B' ' 8' ' ' GLY . 78.6 t80 -116.21 123.64 48.27 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.0 -178.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . 0.444 HG22 ' HA3' ' D' ' 23' ' ' GLY . 6.7 p -126.51 97.33 34.0 Favored Pre-proline 0 C--N 1.317 -0.841 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.787 179.56 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . 0.823 ' HD2' ' HA2' ' D' ' 23' ' ' GLY . 59.9 Cg_endo -73.38 52.65 2.42 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 122.931 2.421 . . . . 0.0 111.331 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 30.1 tttt -117.79 -33.11 4.61 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 114.697 -1.138 . . . . 0.0 109.166 -179.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 7.0 m . . . . . 0 C--O 1.246 0.917 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 179.53 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.729 0 N-CA-C 111.939 -0.464 . . . . 0.0 111.939 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 4.7 tt -150.76 -41.55 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 120.637 0.256 . . . . 0.0 111.433 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 3' ' ' VAL . . . . . 0.834 HG21 ' HA ' ' D' ' 28' ' ' PRO . 3.2 t -82.59 -38.47 15.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 111.815 0.302 . . . . 0.0 111.815 -178.625 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -60.69 -44.42 96.57 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.386 -178.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 5' ' ' GLN . . . . . 0.485 ' HG3' ' SG ' ' C' ' 11' ' ' CYS . 19.3 pt20 -73.03 -21.77 60.75 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -178.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 92.7 m -101.23 -33.12 10.2 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 113.488 0.921 . . . . 0.0 113.488 -177.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 7' ' ' CYS . . . . . 0.591 ' HB2' HD11 ' D' ' 11' ' ' LEU . 48.6 t -76.3 0.42 19.41 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 111.825 0.306 . . . . 0.0 111.825 -178.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 8' ' ' THR . . . . . 0.487 HG23 ' H ' ' C' ' 9' ' ' SER . 1.4 t -88.9 -64.58 1.12 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 121.853 -0.529 . . . . 0.0 110.953 179.179 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 9' ' ' SER . . . . . 0.487 ' H ' HG23 ' C' ' 8' ' ' THR . 17.9 m -140.69 28.45 1.97 Allowed 'General case' 0 C--N 1.328 -0.341 0 O-C-N 122.038 -0.413 . . . . 0.0 111.681 -179.197 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . 0.471 ' HB ' ' O ' ' C' ' 9' ' ' SER . 2.5 mp 72.39 143.5 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 CA-C-O 121.101 0.476 . . . . 0.0 111.321 179.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 11' ' ' CYS . . . . . 0.485 ' SG ' ' HG3' ' C' ' 5' ' ' GLN . 86.4 m -101.04 167.88 9.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.001 0.429 . . . . 0.0 111.631 -179.382 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . 0.665 ' HB3' ' HG3' ' C' ' 15' ' ' GLN . 36.8 t -79.2 156.83 28.01 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.647 178.232 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 21.8 tp -57.36 -45.57 84.24 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.263 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -65.42 -26.33 67.92 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.91 -0.586 . . . . 0.0 112.207 -179.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . 0.665 ' HG3' ' HB3' ' C' ' 12' ' ' SER . 20.8 mt-30 -72.54 -41.01 66.27 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.774 0.321 . . . . 0.0 110.451 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 79.4 mt -67.01 -34.74 78.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.834 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -57.07 -25.57 58.92 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.669 -0.696 . . . . 0.0 112.4 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -71.61 -14.83 62.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.802 0.334 . . . . 0.0 111.432 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 19' ' ' TYR . . . . . 0.51 ' HD1' ' HE1' ' D' ' 25' ' ' PHE . 58.8 m-85 -106.91 -3.92 19.7 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.623 -179.153 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 11.6 t -73.85 149.55 41.5 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.26 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.666 -0.683 . . . . 0.0 110.857 -179.13 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 6.7 p90 . . . . . 0 N--CA 1.485 1.3 0 N-CA-C 111.738 0.273 . . . . 0.0 111.738 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' D' D ' 2' ' ' VAL . . . . . 0.727 HG11 HD12 ' D' ' 6' ' ' LEU . 24.1 m 39.54 -136.76 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 124.365 1.066 . . . . 0.0 113.437 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 3' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -158.98 -172.81 3.95 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 120.708 0.29 . . . . 0.0 110.42 -178.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 4' ' ' GLN . . . . . 0.549 HE21 ' HB ' ' C' ' 3' ' ' VAL . 30.7 tt0 -49.68 -33.93 17.1 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 124.28 1.032 . . . . 0.0 111.387 178.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 5' ' ' HIS . . . . . 0.465 ' HE1' ' HA2' ' B' ' 20' ' ' GLY . 55.6 t60 -58.47 -15.3 10.42 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 115.348 -0.842 . . . . 0.0 113.043 -178.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 6' ' ' LEU . . . . . 0.727 HD12 HG11 ' D' ' 2' ' ' VAL . 37.5 mt -126.99 -21.24 4.02 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.306 0.574 . . . . 0.0 110.761 179.26 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 7' ' ' CYS . . . . . 0.526 ' SG ' HG13 ' L' ' 2' ' ' VAL . 1.1 t -75.47 -33.06 60.8 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.703 179.516 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 8' ' ' GLY . . . . . 0.572 ' HA3' ' OH ' ' D' ' 26' ' ' TYR . . . -70.42 -22.28 77.67 Favored Glycine 0 N--CA 1.446 -0.651 0 CA-C-N 115.717 -0.674 . . . . 0.0 113.703 -179.648 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 9' ' ' SER . . . . . 0.877 ' HB2' ' HG2' ' B' ' 13' ' ' GLU . 19.6 p -66.18 -15.6 63.28 Favored 'General case' 0 C--O 1.225 -0.195 0 CA-C-N 117.244 0.522 . . . . 0.0 110.721 -179.551 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 10' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -106.69 -20.63 13.29 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.612 -179.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 11' ' ' LEU . . . . . 0.591 HD11 ' HB2' ' C' ' 7' ' ' CYS . 73.9 mt -68.23 -37.13 80.51 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 177.267 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 12' ' ' VAL . . . . . 0.608 ' HA ' ' HB2' ' D' ' 15' ' ' LEU . 4.6 m -67.41 -33.74 64.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.076 -0.965 . . . . 0.0 111.744 179.554 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 13' ' ' GLU . . . . . 0.876 ' HG2' ' HB2' ' B' ' 9' ' ' SER . 43.9 mt-10 -56.52 -41.89 77.48 Favored 'General case' 0 N--CA 1.461 0.102 0 CA-C-O 121.183 0.516 . . . . 0.0 110.35 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 14' ' ' ALA . . . . . 0.483 ' O ' HG23 ' D' ' 18' ' ' VAL . . . -81.48 -33.26 32.08 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.583 178.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 15' ' ' LEU . . . . . 0.608 ' HB2' ' HA ' ' D' ' 12' ' ' VAL . 3.0 mt -55.81 -54.75 40.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.432 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 16' ' ' TYR . . . . . 0.75 ' HB3' ' CE1' ' D' ' 24' ' ' PHE . 6.5 p90 -76.72 -14.42 59.95 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 119.617 -0.833 . . . . 0.0 111.257 -179.202 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . 0.552 HD23 HD23 ' J' ' 17' ' ' LEU . 33.6 tp -70.02 -34.36 73.17 Favored 'General case' 0 C--O 1.232 0.179 0 N-CA-C 108.134 -1.061 . . . . 0.0 108.134 178.043 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . 0.483 HG23 ' O ' ' D' ' 14' ' ' ALA . 96.4 t -68.32 -44.02 84.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 114.876 -1.056 . . . . 0.0 109.636 178.216 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 19' ' ' CYS . . . . . 0.712 ' HB3' ' HB2' ' D' ' 22' ' ' ARG . 89.9 m -69.52 -42.38 74.77 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.936 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 20' ' ' GLY . . . . . 0.468 ' HA2' ' HE1' ' B' ' 5' ' ' HIS . . . 68.38 -86.56 0.19 Allowed Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 121.347 -0.454 . . . . 0.0 112.841 179.541 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -90.03 -4.76 57.22 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.999 0.428 . . . . 0.0 110.705 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 22' ' ' ARG . . . . . 0.712 ' HB2' ' HB3' ' D' ' 19' ' ' CYS . 20.4 mtt85 -105.91 172.71 6.66 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.792 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 23' ' ' GLY . . . . . 0.823 ' HA2' ' HD2' ' B' ' 28' ' ' PRO . . . -113.23 -159.35 13.61 Favored Glycine 0 N--CA 1.447 -0.608 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 178.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 24' ' ' PHE . . . . . 0.75 ' CE1' ' HB3' ' D' ' 16' ' ' TYR . 8.7 p90 -173.62 158.79 3.44 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 117.076 0.438 . . . . 0.0 110.321 179.593 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 25' ' ' PHE . . . . . 0.51 ' HE1' ' HD1' ' C' ' 19' ' ' TYR . 3.9 p90 -104.99 124.9 50.33 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 178.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 26' ' ' TYR . . . . . 0.572 ' OH ' ' HA3' ' D' ' 8' ' ' GLY . 78.6 t80 -116.73 122.71 45.28 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.237 -178.414 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 27' ' ' THR . . . . . 0.447 HG22 ' HA3' ' B' ' 23' ' ' GLY . 6.8 p -125.79 97.29 36.14 Favored Pre-proline 0 C--N 1.313 -0.998 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.828 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 28' ' ' PRO . . . . . 0.834 ' HA ' HG21 ' C' ' 3' ' ' VAL . 59.5 Cg_endo -72.9 50.85 1.85 Allowed 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 123.046 2.498 . . . . 0.0 111.656 179.431 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 28.2 tttt -115.11 -35.01 4.84 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 114.763 -1.108 . . . . 0.0 109.159 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 8.8 m . . . . . 0 C--O 1.246 0.899 0 CA-C-O 117.994 -1.003 . . . . 0.0 108.32 179.544 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.841 0 N-CA-C 111.886 -0.486 . . . . 0.0 111.886 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' E' E ' 2' ' ' ILE . . . . . 0.409 HG23 HG23 ' E' ' 3' ' ' VAL . 4.9 tt -149.42 -41.55 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 120.773 0.32 . . . . 0.0 111.603 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 3' ' ' VAL . . . . . 0.812 HG21 ' HA ' ' F' ' 28' ' ' PRO . 3.2 t -82.59 -37.9 14.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -178.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 4' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -60.69 -46.37 90.63 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.109 -179.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 5' ' ' GLN . . . . . 0.49 ' HG3' ' SG ' ' E' ' 11' ' ' CYS . 19.7 pt20 -71.05 -22.7 62.1 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -178.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 6' ' ' CYS . . . . . . . . . . . . . 94.1 m -100.27 -33.49 10.39 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 -177.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 7' ' ' CYS . . . . . 0.592 ' HB2' HD11 ' F' ' 11' ' ' LEU . 49.0 t -76.53 0.69 19.02 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -178.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 8' ' ' THR . . . . . 0.55 HG23 ' H ' ' E' ' 9' ' ' SER . 1.7 t -88.8 -65.69 0.99 Allowed 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.684 179.228 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 9' ' ' SER . . . . . 0.55 ' H ' HG23 ' E' ' 8' ' ' THR . 22.1 m -139.8 29.86 2.09 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 122.354 -0.216 . . . . 0.0 111.575 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 10' ' ' ILE . . . . . 0.477 ' HB ' ' O ' ' E' ' 9' ' ' SER . 2.4 mp 71.79 145.39 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.236 179.654 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 11' ' ' CYS . . . . . 0.49 ' SG ' ' HG3' ' E' ' 5' ' ' GLN . 94.1 m -102.74 168.48 9.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.228 0.537 . . . . 0.0 111.79 -179.441 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 12' ' ' SER . . . . . 0.654 ' HB3' ' HG3' ' E' ' 15' ' ' GLN . 38.1 t -80.45 154.62 27.52 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.584 178.474 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 21.6 tp -54.92 -45.86 74.84 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.071 0.462 . . . . 0.0 111.301 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -65.73 -25.76 67.44 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.027 -0.533 . . . . 0.0 112.184 -178.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 15' ' ' GLN . . . . . 0.654 ' HG3' ' HB3' ' E' ' 12' ' ' SER . 21.6 mt-30 -72.89 -40.47 65.56 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.812 0.339 . . . . 0.0 110.369 179.735 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 16' ' ' LEU . . . . . . . . . . . . . 82.5 mt -67.65 -34.73 77.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.853 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 17' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -57.12 -26.32 60.31 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.07 -0.514 . . . . 0.0 112.303 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 18' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -70.95 -14.69 62.45 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.81 0.338 . . . . 0.0 111.539 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 19' ' ' TYR . . . . . 0.496 ' HD1' ' HE1' ' F' ' 25' ' ' PHE . 59.7 m-85 -107.29 -3.32 19.82 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.88 0.371 . . . . 0.0 110.925 -179.245 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 20' ' ' CYS . . . . . . . . . . . . . 12.4 t -74.44 149.43 40.4 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.149 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 21' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 . . . . . 0 C--O 1.253 1.252 0 CA-C-O 118.617 -0.706 . . . . 0.0 110.086 -179.535 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' F' F ' 1' ' ' PHE . . . . . . . . . . . . . 7.7 p90 . . . . . 0 N--CA 1.486 1.325 0 N-CA-C 111.717 0.265 . . . . 0.0 111.717 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' F' F ' 2' ' ' VAL . . . . . 0.713 HG11 HD12 ' F' ' 6' ' ' LEU . 24.6 m 40.07 -136.9 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 124.287 1.035 . . . . 0.0 113.245 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 3' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -159.13 -172.98 3.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.791 0.329 . . . . 0.0 110.39 -178.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 4' ' ' GLN . . . . . 0.519 HE21 ' HB ' ' E' ' 3' ' ' VAL . 29.8 tt0 -49.41 -33.44 13.91 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 124.198 0.999 . . . . 0.0 111.538 178.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 5' ' ' HIS . . . . . 0.456 ' HE1' ' HA2' ' H' ' 20' ' ' GLY . 56.8 t60 -58.7 -15.6 12.67 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 115.292 -0.867 . . . . 0.0 112.901 -178.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 6' ' ' LEU . . . . . 0.713 HD12 HG11 ' F' ' 2' ' ' VAL . 41.8 mt -127.03 -20.88 4.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.368 0.604 . . . . 0.0 110.936 179.083 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 7' ' ' CYS . . . . . 0.518 ' SG ' HG13 ' J' ' 2' ' ' VAL . 1.3 t -75.54 -33.75 60.71 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.539 179.567 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 8' ' ' GLY . . . . . 0.58 ' HA3' ' OH ' ' F' ' 26' ' ' TYR . . . -69.86 -22.42 76.97 Favored Glycine 0 N--CA 1.445 -0.733 0 CA-C-N 115.954 -0.567 . . . . 0.0 113.798 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 9' ' ' SER . . . . . 0.88 ' HB2' ' HG2' ' H' ' 13' ' ' GLU . 19.5 p -65.85 -16.15 63.57 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 121.196 0.522 . . . . 0.0 110.829 -179.605 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 10' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -106.26 -20.46 13.39 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.659 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 11' ' ' LEU . . . . . 0.592 HD11 ' HB2' ' E' ' 7' ' ' CYS . 72.7 mt -68.49 -37.15 79.85 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 177.262 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 12' ' ' VAL . . . . . 0.619 ' HA ' ' HB2' ' F' ' 15' ' ' LEU . 4.8 m -67.49 -33.43 62.25 Favored 'Isoleucine or valine' 0 C--O 1.232 0.171 0 CA-C-N 115.098 -0.955 . . . . 0.0 111.688 179.444 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 13' ' ' GLU . . . . . 0.877 ' HG2' ' HB2' ' H' ' 9' ' ' SER . 43.3 mt-10 -56.51 -42.08 77.79 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 121.331 0.586 . . . . 0.0 110.333 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 14' ' ' ALA . . . . . 0.486 ' O ' HG23 ' F' ' 18' ' ' VAL . . . -81.23 -33.29 32.94 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.679 178.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 15' ' ' LEU . . . . . 0.619 ' HB2' ' HA ' ' F' ' 12' ' ' VAL . 3.0 mt -55.9 -54.71 41.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.495 -179.703 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 16' ' ' TYR . . . . . 0.765 ' HB3' ' CE1' ' F' ' 24' ' ' PHE . 6.6 p90 -76.46 -15.15 59.98 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 119.752 -0.779 . . . . 0.0 111.08 -179.347 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 17' ' ' LEU . . . . . 0.542 HD23 HD23 ' L' ' 17' ' ' LEU . 32.6 tp -69.07 -35.0 76.06 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 177.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . 0.486 HG23 ' O ' ' F' ' 14' ' ' ALA . 94.0 t -67.77 -45.61 84.09 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.516 178.228 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 19' ' ' CYS . . . . . 0.668 ' HB3' ' HB2' ' F' ' 22' ' ' ARG . 87.8 m -67.62 -43.21 80.94 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.053 179.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 20' ' ' GLY . . . . . 0.421 ' HA2' ' HE1' ' H' ' 5' ' ' HIS . . . 68.41 -87.43 0.2 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 121.355 -0.45 . . . . 0.0 112.957 179.459 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 21' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -88.74 -5.36 58.14 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.019 0.438 . . . . 0.0 110.583 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 22' ' ' ARG . . . . . 0.668 ' HB2' ' HB3' ' F' ' 19' ' ' CYS . 18.9 mtt85 -105.41 172.27 6.88 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.937 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 23' ' ' GLY . . . . . 0.823 ' HA2' ' HD2' ' H' ' 28' ' ' PRO . . . -112.57 -159.29 14.23 Favored Glycine 0 C--O 1.226 -0.387 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 178.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 24' ' ' PHE . . . . . 0.765 ' CE1' ' HB3' ' F' ' 16' ' ' TYR . 8.9 p90 -173.79 158.65 3.3 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.052 0.453 . . . . 0.0 110.451 179.505 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 25' ' ' PHE . . . . . 0.496 ' HE1' ' HD1' ' E' ' 19' ' ' TYR . 3.8 p90 -104.75 124.33 49.21 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 178.658 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 26' ' ' TYR . . . . . 0.58 ' OH ' ' HA3' ' F' ' 8' ' ' GLY . 79.3 t80 -116.12 122.85 46.34 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.149 -178.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 27' ' ' THR . . . . . 0.471 HG22 ' HA3' ' H' ' 23' ' ' GLY . 3.2 p -125.67 97.46 36.14 Favored Pre-proline 0 C--N 1.314 -0.95 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.701 179.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 28' ' ' PRO . . . . . 0.851 ' HD2' ' HA2' ' H' ' 23' ' ' GLY . 61.0 Cg_endo -73.65 52.9 2.59 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.863 2.375 . . . . 0.0 111.396 179.578 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 29' ' ' LYS . . . . . . . . . . . . . 28.5 tttt -117.16 -34.92 4.2 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.88 -1.054 . . . . 0.0 108.964 -179.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 30' ' ' THR . . . . . . . . . . . . . 9.2 m . . . . . 0 C--O 1.245 0.848 0 CA-C-O 118.114 -0.946 . . . . 0.0 108.581 179.567 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' G' G ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.586 0 N-CA-C 111.762 -0.535 . . . . 0.0 111.762 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' G' G ' 2' ' ' ILE . . . . . 0.4 HG23 HG23 ' G' ' 3' ' ' VAL . 4.7 tt -150.46 -41.47 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.694 0.283 . . . . 0.0 111.413 179.717 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 3' ' ' VAL . . . . . 0.816 HG21 ' HA ' ' H' ' 28' ' ' PRO . 3.3 t -82.53 -38.86 15.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -178.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 4' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -60.06 -45.24 93.54 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.586 0.232 . . . . 0.0 111.381 -178.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 5' ' ' GLN . . . . . 0.463 ' HG3' ' SG ' ' G' ' 11' ' ' CYS . 19.5 pt20 -71.98 -22.26 61.46 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 -178.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 6' ' ' CYS . . . . . . . . . . . . . 91.1 m -100.64 -33.73 10.17 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 113.539 0.94 . . . . 0.0 113.539 -177.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 7' ' ' CYS . . . . . 0.59 ' HB2' HD11 ' H' ' 11' ' ' LEU . 47.7 t -75.73 -0.09 19.68 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -178.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 8' ' ' THR . . . . . 0.514 HG23 ' H ' ' G' ' 9' ' ' SER . 1.7 t -88.29 -65.18 1.04 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 121.923 -0.486 . . . . 0.0 110.806 179.311 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 9' ' ' SER . . . . . 0.514 ' H ' HG23 ' G' ' 8' ' ' THR . 19.9 m -140.71 29.97 1.9 Allowed 'General case' 0 C--N 1.328 -0.329 0 O-C-N 122.238 -0.289 . . . . 0.0 111.681 -179.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 10' ' ' ILE . . . . . 0.453 ' HB ' ' O ' ' G' ' 9' ' ' SER . 2.5 mp 71.58 144.26 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.663 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.247 179.529 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 11' ' ' CYS . . . . . 0.463 ' SG ' ' HG3' ' G' ' 5' ' ' GLN . 86.2 m -101.54 169.28 8.95 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.068 0.461 . . . . 0.0 111.766 -179.321 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 12' ' ' SER . . . . . 0.652 ' HB3' ' HG3' ' G' ' 15' ' ' GLN . 31.5 t -80.37 156.3 26.76 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.558 178.44 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 13' ' ' LEU . . . . . . . . . . . . . 21.5 tp -57.56 -45.25 85.38 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.08 0.466 . . . . 0.0 111.242 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -65.75 -25.5 67.3 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.91 -0.587 . . . . 0.0 112.103 -179.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 15' ' ' GLN . . . . . 0.652 ' HG3' ' HB3' ' G' ' 12' ' ' SER . 21.7 mt-30 -73.45 -39.62 64.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.797 0.332 . . . . 0.0 110.614 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 16' ' ' LEU . . . . . . . . . . . . . 82.8 mt -68.54 -34.46 75.9 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.845 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 17' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -58.1 -24.43 58.65 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.858 -0.61 . . . . 0.0 112.264 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 18' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -71.64 -15.89 62.25 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.825 0.345 . . . . 0.0 111.138 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 19' ' ' TYR . . . . . 0.5 ' HD1' ' HE1' ' H' ' 25' ' ' PHE . 59.5 m-85 -106.24 -2.47 22.36 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.876 0.369 . . . . 0.0 110.963 -179.128 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 20' ' ' CYS . . . . . . . . . . . . . 12.1 t -74.59 150.15 39.81 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.182 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 21' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.702 -0.666 . . . . 0.0 110.52 -179.248 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' H' H ' 1' ' ' PHE . . . . . . . . . . . . . 6.9 p90 . . . . . 0 N--CA 1.482 1.168 0 N-CA-C 111.642 0.238 . . . . 0.0 111.642 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' H' H ' 2' ' ' VAL . . . . . 0.714 HG11 HD12 ' H' ' 6' ' ' LEU . 27.5 m 39.4 -138.49 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 C-N-CA 124.149 0.98 . . . . 0.0 113.438 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 3' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -157.41 -171.89 3.77 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.686 0.279 . . . . 0.0 110.4 -178.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 4' ' ' GLN . . . . . 0.559 HE21 ' HB ' ' G' ' 3' ' ' VAL . 31.5 tt0 -49.92 -34.56 20.9 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 124.359 1.064 . . . . 0.0 111.397 178.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 5' ' ' HIS . . . . . 0.421 ' HE1' ' HA2' ' F' ' 20' ' ' GLY . 57.4 t60 -57.62 -15.75 8.43 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 115.175 -0.92 . . . . 0.0 113.068 -178.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 6' ' ' LEU . . . . . 0.714 HD12 HG11 ' H' ' 2' ' ' VAL . 40.5 mt -126.99 -20.98 4.07 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.423 0.63 . . . . 0.0 110.611 179.32 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 7' ' ' CYS . . . . . 0.523 ' SG ' HG13 ' D' ' 2' ' ' VAL . 1.4 t -75.54 -33.83 60.7 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.612 179.591 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 8' ' ' GLY . . . . . 0.57 ' HA3' ' OH ' ' H' ' 26' ' ' TYR . . . -69.68 -22.56 76.79 Favored Glycine 0 N--CA 1.444 -0.783 0 CA-C-N 115.746 -0.661 . . . . 0.0 113.702 -179.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 9' ' ' SER . . . . . 0.877 ' HB2' ' HG2' ' F' ' 13' ' ' GLU . 19.6 p -66.01 -15.74 63.29 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 117.43 0.615 . . . . 0.0 110.795 -179.438 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 10' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -106.42 -20.94 13.23 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.682 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 11' ' ' LEU . . . . . 0.59 HD11 ' HB2' ' G' ' 7' ' ' CYS . 72.9 mt -68.01 -37.42 81.41 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 177.187 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 12' ' ' VAL . . . . . 0.604 ' HA ' ' HB2' ' H' ' 15' ' ' LEU . 4.6 m -67.14 -33.67 64.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.043 -0.98 . . . . 0.0 111.7 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 13' ' ' GLU . . . . . 0.88 ' HG2' ' HB2' ' F' ' 9' ' ' SER . 43.2 mt-10 -56.55 -41.92 77.66 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-O 121.27 0.557 . . . . 0.0 110.368 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 14' ' ' ALA . . . . . 0.466 ' O ' HG23 ' H' ' 18' ' ' VAL . . . -81.34 -33.58 32.35 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.627 179.008 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 15' ' ' LEU . . . . . 0.604 ' HB2' ' HA ' ' H' ' 12' ' ' VAL . 2.9 mt -55.68 -54.75 40.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.694 -0.684 . . . . 0.0 112.39 -179.705 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 16' ' ' TYR . . . . . 0.766 ' HB3' ' CE1' ' H' ' 24' ' ' PHE . 6.5 p90 -76.63 -14.74 59.96 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 119.724 -0.79 . . . . 0.0 111.092 -179.284 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 17' ' ' LEU . . . . . 0.54 HD23 HD23 ' B' ' 17' ' ' LEU . 31.7 tp -69.76 -33.77 72.88 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 108.388 -0.968 . . . . 0.0 108.388 177.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . 0.466 HG23 ' O ' ' H' ' 14' ' ' ALA . 92.1 t -68.84 -45.11 81.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.452 178.231 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 19' ' ' CYS . . . . . 0.706 ' HB3' ' HB2' ' H' ' 22' ' ' ARG . 88.9 m -68.41 -42.47 78.94 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.919 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 20' ' ' GLY . . . . . 0.456 ' HA2' ' HE1' ' F' ' 5' ' ' HIS . . . 68.13 -86.61 0.18 Allowed Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 121.415 -0.422 . . . . 0.0 112.932 179.474 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 21' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -88.88 -6.94 56.97 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.977 0.418 . . . . 0.0 110.619 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 22' ' ' ARG . . . . . 0.706 ' HB2' ' HB3' ' H' ' 19' ' ' CYS . 19.1 mtt85 -103.79 173.19 6.41 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.169 -179.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 23' ' ' GLY . . . . . 0.851 ' HA2' ' HD2' ' F' ' 28' ' ' PRO . . . -113.63 -159.6 13.43 Favored Glycine 0 N--CA 1.446 -0.659 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 178.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 24' ' ' PHE . . . . . 0.766 ' CE1' ' HB3' ' H' ' 16' ' ' TYR . 8.9 p90 -173.57 159.24 3.56 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 117.258 0.529 . . . . 0.0 110.392 179.446 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 25' ' ' PHE . . . . . 0.5 ' HE1' ' HD1' ' G' ' 19' ' ' TYR . 3.9 p90 -105.58 123.61 48.2 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 178.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 26' ' ' TYR . . . . . 0.57 ' OH ' ' HA3' ' H' ' 8' ' ' GLY . 76.5 t80 -115.66 123.1 47.51 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.978 -178.377 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 27' ' ' THR . . . . . 0.483 HG22 ' HA3' ' F' ' 23' ' ' GLY . 5.8 p -126.25 97.53 34.34 Favored Pre-proline 0 C--N 1.316 -0.857 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.768 179.587 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 28' ' ' PRO . . . . . 0.823 ' HD2' ' HA2' ' F' ' 23' ' ' GLY . 61.1 Cg_endo -73.3 52.28 2.31 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 123.06 2.506 . . . . 0.0 111.421 179.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 29' ' ' LYS . . . . . . . . . . . . . 29.6 tttt -117.75 -31.95 4.98 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 114.793 -1.094 . . . . 0.0 109.348 -178.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 30' ' ' THR . . . . . . . . . . . . . 8.3 m . . . . . 0 C--O 1.248 1.003 0 CA-C-O 117.936 -1.031 . . . . 0.0 108.382 179.388 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' I' I ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.378 0 N-CA-C 111.827 -0.509 . . . . 0.0 111.827 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' I' I ' 2' ' ' ILE . . . . . 0.4 HG23 HG23 ' I' ' 3' ' ' VAL . 4.4 tt -150.16 -41.05 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 120.851 0.358 . . . . 0.0 111.416 179.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 3' ' ' VAL . . . . . 0.822 HG21 ' HA ' ' J' ' 28' ' ' PRO . 3.5 t -83.05 -37.97 14.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -178.59 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 4' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -61.35 -44.57 96.95 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.597 0.237 . . . . 0.0 111.101 -178.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 5' ' ' GLN . . . . . 0.491 ' HG3' ' SG ' ' I' ' 11' ' ' CYS . 19.7 pt20 -72.59 -21.66 61.1 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -178.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 6' ' ' CYS . . . . . . . . . . . . . 92.1 m -100.89 -33.57 10.15 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 -177.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 7' ' ' CYS . . . . . 0.577 ' HB2' HD11 ' J' ' 11' ' ' LEU . 49.4 t -76.42 1.25 16.94 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -178.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 8' ' ' THR . . . . . 0.505 HG23 ' H ' ' I' ' 9' ' ' SER . 1.4 t -89.86 -64.07 1.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 121.909 -0.495 . . . . 0.0 110.815 179.323 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 9' ' ' SER . . . . . 0.505 ' H ' HG23 ' I' ' 8' ' ' THR . 16.6 m -140.9 28.91 1.9 Allowed 'General case' 0 C--N 1.328 -0.369 0 O-C-N 122.205 -0.31 . . . . 0.0 111.569 -179.425 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 10' ' ' ILE . . . . . 0.464 ' HB ' ' O ' ' I' ' 9' ' ' SER . 2.5 mp 71.88 144.35 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 CA-C-O 121.162 0.506 . . . . 0.0 111.256 179.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 11' ' ' CYS . . . . . 0.491 ' SG ' ' HG3' ' I' ' 5' ' ' GLN . 87.6 m -101.63 168.48 9.45 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.164 0.507 . . . . 0.0 111.576 -179.282 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 12' ' ' SER . . . . . 0.648 ' HB3' ' HG3' ' I' ' 15' ' ' GLN . 41.7 t -80.46 155.33 27.12 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.519 178.497 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 13' ' ' LEU . . . . . . . . . . . . . 21.8 tp -55.73 -45.7 77.92 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.415 -179.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -65.56 -26.08 67.71 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.992 -0.549 . . . . 0.0 112.25 -178.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 15' ' ' GLN . . . . . 0.648 ' HG3' ' HB3' ' I' ' 12' ' ' SER . 21.4 mt-30 -72.53 -41.02 66.29 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.715 0.293 . . . . 0.0 110.363 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 16' ' ' LEU . . . . . . . . . . . . . 82.8 mt -66.78 -35.1 79.29 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.914 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 17' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -57.07 -25.7 59.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.669 -0.696 . . . . 0.0 112.454 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 18' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -71.48 -15.26 62.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.839 0.352 . . . . 0.0 111.365 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 19' ' ' TYR . . . . . 0.508 ' HD1' ' HE1' ' J' ' 25' ' ' PHE . 60.8 m-85 -106.55 -3.63 20.58 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.949 0.404 . . . . 0.0 110.842 -179.056 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 20' ' ' CYS . . . . . . . . . . . . . 11.8 t -73.8 151.76 40.49 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.079 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 21' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.748 -0.644 . . . . 0.0 110.205 -179.514 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' J' J ' 1' ' ' PHE . . . . . . . . . . . . . 7.5 p90 . . . . . 0 N--CA 1.488 1.435 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' J' J ' 2' ' ' VAL . . . . . 0.72 HG11 HD12 ' J' ' 6' ' ' LEU . 27.4 m 39.47 -138.21 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 124.119 0.968 . . . . 0.0 113.26 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 3' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -158.21 -171.93 3.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.821 0.344 . . . . 0.0 110.449 -178.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 4' ' ' GLN . . . . . 0.515 HE21 ' HB ' ' I' ' 3' ' ' VAL . 30.8 tt0 -49.51 -34.58 17.59 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 124.375 1.07 . . . . 0.0 111.398 178.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 5' ' ' HIS . . . . . 0.418 ' HE1' ' HA2' ' L' ' 20' ' ' GLY . 56.4 t60 -57.83 -15.87 9.75 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 115.205 -0.907 . . . . 0.0 113.058 -178.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 6' ' ' LEU . . . . . 0.72 HD12 HG11 ' J' ' 2' ' ' VAL . 43.7 mt -126.84 -20.73 4.18 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.385 0.612 . . . . 0.0 110.707 179.155 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 7' ' ' CYS . . . . . 0.523 ' SG ' HG13 ' B' ' 2' ' ' VAL . 1.3 t -75.84 -33.31 60.03 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.495 179.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 8' ' ' GLY . . . . . 0.571 ' HA3' ' OH ' ' J' ' 26' ' ' TYR . . . -70.58 -21.81 77.78 Favored Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.937 -0.649 . . . . 0.0 113.89 -179.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 9' ' ' SER . . . . . 0.869 ' HB2' ' HG2' ' L' ' 13' ' ' GLU . 19.5 p -66.3 -15.9 63.6 Favored 'General case' 0 C--O 1.225 -0.209 0 CA-C-N 117.294 0.547 . . . . 0.0 110.737 -179.529 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 10' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -106.3 -20.87 13.26 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.806 -179.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 11' ' ' LEU . . . . . 0.577 HD11 ' HB2' ' I' ' 7' ' ' CYS . 73.5 mt -68.07 -37.23 81.01 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 177.168 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 12' ' ' VAL . . . . . 0.628 ' HA ' ' HB2' ' J' ' 15' ' ' LEU . 5.0 m -67.36 -33.49 62.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 115.01 -0.996 . . . . 0.0 111.761 179.535 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 13' ' ' GLU . . . . . 0.874 ' HG2' ' HB2' ' L' ' 9' ' ' SER . 43.9 mt-10 -56.69 -42.09 78.5 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 121.249 0.547 . . . . 0.0 110.234 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 14' ' ' ALA . . . . . 0.455 ' O ' HG23 ' J' ' 18' ' ' VAL . . . -81.27 -33.37 32.76 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.515 179.003 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 15' ' ' LEU . . . . . 0.628 ' HB2' ' HA ' ' J' ' 12' ' ' VAL . 3.1 mt -55.66 -54.71 40.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.496 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 16' ' ' TYR . . . . . 0.75 ' HB3' ' CE1' ' J' ' 24' ' ' PHE . 6.7 p90 -76.64 -14.47 59.97 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 119.492 -0.883 . . . . 0.0 111.248 -179.289 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 17' ' ' LEU . . . . . 0.552 HD23 HD23 ' D' ' 17' ' ' LEU . 34.7 tp -69.54 -35.29 75.3 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 178.115 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 18' ' ' VAL . . . . . 0.455 HG23 ' O ' ' J' ' 14' ' ' ALA . 94.3 t -67.34 -45.38 86.01 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.124 0 CA-C-N 114.867 -1.06 . . . . 0.0 109.475 178.37 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 19' ' ' CYS . . . . . 0.687 ' HB3' ' HB2' ' J' ' 22' ' ' ARG . 85.7 m -67.72 -43.99 78.7 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.911 179.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 20' ' ' GLY . . . . . 0.469 ' HA2' ' HE1' ' L' ' 5' ' ' HIS . . . 69.77 -86.58 0.28 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 121.35 -0.453 . . . . 0.0 112.62 179.372 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 21' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -89.82 -5.89 56.44 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.112 0.482 . . . . 0.0 110.573 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 22' ' ' ARG . . . . . 0.687 ' HB2' ' HB3' ' J' ' 19' ' ' CYS . 19.3 mtt85 -104.48 173.06 6.46 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.903 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 23' ' ' GLY . . . . . 0.84 ' HA2' ' HD2' ' L' ' 28' ' ' PRO . . . -113.28 -159.33 13.56 Favored Glycine 0 N--CA 1.447 -0.587 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 178.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 24' ' ' PHE . . . . . 0.75 ' CE1' ' HB3' ' J' ' 16' ' ' TYR . 8.3 p90 -173.91 158.56 3.21 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 117.221 0.51 . . . . 0.0 110.401 179.545 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 25' ' ' PHE . . . . . 0.508 ' HE1' ' HD1' ' I' ' 19' ' ' TYR . 3.8 p90 -105.42 121.78 44.62 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.363 0.601 . . . . 0.0 109.815 178.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 26' ' ' TYR . . . . . 0.571 ' OH ' ' HA3' ' J' ' 8' ' ' GLY . 76.4 t80 -113.32 124.2 51.92 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.077 -178.633 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 27' ' ' THR . . . . . 0.501 HG22 ' HA3' ' L' ' 23' ' ' GLY . 3.2 p -127.38 97.43 31.25 Favored Pre-proline 0 C--N 1.318 -0.785 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.671 179.503 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 28' ' ' PRO . . . . . 0.822 ' HA ' HG21 ' I' ' 3' ' ' VAL . 60.3 Cg_endo -73.54 53.36 2.65 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 123.049 2.499 . . . . 0.0 111.329 179.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 29' ' ' LYS . . . . . . . . . . . . . 30.5 tttt -118.09 -33.11 4.53 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.607 -1.178 . . . . 0.0 109.177 -179.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 30' ' ' THR . . . . . . . . . . . . . 9.2 m . . . . . 0 C--O 1.245 0.846 0 CA-C-O 118.2 -0.905 . . . . 0.0 108.692 179.716 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.297 0 N-CA-C 111.824 -0.51 . . . . 0.0 111.824 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' K' K ' 2' ' ' ILE . . . . . . . . . . . . . 4.3 tt -150.94 -40.82 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 C-N-CA 121.014 -0.274 . . . . 0.0 111.546 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 3' ' ' VAL . . . . . 0.817 HG21 ' HA ' ' L' ' 28' ' ' PRO . 3.2 t -83.12 -38.34 14.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -178.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' K' K ' 4' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -60.48 -44.07 96.3 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.869 0.366 . . . . 0.0 111.334 -179.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 5' ' ' GLN . . . . . 0.484 ' HG3' ' SG ' ' K' ' 11' ' ' CYS . 19.1 pt20 -73.35 -22.7 60.24 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 -179.035 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' K' K ' 6' ' ' CYS . . . . . . . . . . . . . 93.7 m -100.3 -32.9 10.63 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 113.464 0.913 . . . . 0.0 113.464 -177.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 7' ' ' CYS . . . . . 0.582 ' HB2' HD11 ' L' ' 11' ' ' LEU . 49.5 t -76.88 1.79 16.5 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -178.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' K' K ' 8' ' ' THR . . . . . 0.52 HG23 ' H ' ' K' ' 9' ' ' SER . 1.7 t -90.15 -65.18 1.04 Allowed 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.355 -0.538 . . . . 0.0 110.578 179.266 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' K' K ' 9' ' ' SER . . . . . 0.52 ' H ' HG23 ' K' ' 8' ' ' THR . 24.3 m -140.19 30.7 1.97 Allowed 'General case' 0 C--N 1.328 -0.341 0 O-C-N 122.178 -0.326 . . . . 0.0 111.606 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' K' K ' 10' ' ' ILE . . . . . 0.432 ' HB ' ' O ' ' K' ' 9' ' ' SER . 2.5 mp 70.97 144.47 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 CA-C-O 121.431 0.634 . . . . 0.0 111.474 179.441 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' K' K ' 11' ' ' CYS . . . . . 0.484 ' SG ' ' HG3' ' K' ' 5' ' ' GLN . 89.1 m -101.66 168.14 9.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.198 0.523 . . . . 0.0 111.793 -179.458 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' K' K ' 12' ' ' SER . . . . . 0.621 ' HB3' ' HG3' ' K' ' 15' ' ' GLN . 29.1 t -80.36 154.72 27.57 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.626 -0.716 . . . . 0.0 109.485 178.551 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' K' K ' 13' ' ' LEU . . . . . . . . . . . . . 21.2 tp -55.3 -45.82 76.26 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.419 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -65.47 -25.86 67.68 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.143 -178.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 15' ' ' GLN . . . . . 0.621 ' HG3' ' HB3' ' K' ' 12' ' ' SER . 21.8 mt-30 -73.14 -40.16 65.1 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.649 0.261 . . . . 0.0 110.377 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' K' K ' 16' ' ' LEU . . . . . . . . . . . . . 80.7 mt -67.67 -35.0 78.05 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.082 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 17' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -57.54 -24.44 56.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.699 -0.682 . . . . 0.0 112.239 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 18' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -71.65 -15.89 62.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.825 0.345 . . . . 0.0 111.152 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 19' ' ' TYR . . . . . 0.511 ' HD1' ' HE1' ' L' ' 25' ' ' PHE . 58.0 m-85 -106.31 -3.23 21.4 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.982 -179.071 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' K' K ' 20' ' ' CYS . . . . . . . . . . . . . 11.6 t -74.26 149.16 40.9 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.206 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 21' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 . . . . . 0 C--O 1.25 1.126 0 CA-C-O 118.679 -0.677 . . . . 0.0 110.105 -179.463 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' L' L ' 1' ' ' PHE . . . . . . . . . . . . . 6.6 p90 . . . . . 0 N--CA 1.485 1.289 0 N-CA-C 111.814 0.301 . . . . 0.0 111.814 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' L' L ' 2' ' ' VAL . . . . . 0.714 HG11 HD12 ' L' ' 6' ' ' LEU . 27.3 m 39.08 -137.17 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 124.274 1.029 . . . . 0.0 113.345 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' L' L ' 3' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -159.16 -172.34 3.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.741 0.305 . . . . 0.0 110.393 -178.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 4' ' ' GLN . . . . . 0.531 HE21 ' HB ' ' K' ' 3' ' ' VAL . 30.8 tt0 -49.43 -33.94 15.33 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 124.301 1.04 . . . . 0.0 111.49 179.041 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' L' L ' 5' ' ' HIS . . . . . 0.469 ' HE1' ' HA2' ' J' ' 20' ' ' GLY . 56.8 t60 -58.55 -15.52 11.66 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 115.342 -0.844 . . . . 0.0 112.998 -178.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' L' L ' 6' ' ' LEU . . . . . 0.714 HD12 HG11 ' L' ' 2' ' ' VAL . 42.5 mt -126.8 -21.34 4.07 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.364 0.602 . . . . 0.0 110.818 179.18 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' L' L ' 7' ' ' CYS . . . . . 0.536 ' SG ' HG13 ' H' ' 2' ' ' VAL . 1.4 t -75.4 -33.43 60.98 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.585 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' L' L ' 8' ' ' GLY . . . . . 0.573 ' HA3' ' OH ' ' L' ' 26' ' ' TYR . . . -70.14 -22.77 77.43 Favored Glycine 0 N--CA 1.447 -0.584 0 CA-C-N 115.716 -0.675 . . . . 0.0 113.729 -179.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' L' L ' 9' ' ' SER . . . . . 0.874 ' HB2' ' HG2' ' J' ' 13' ' ' GLU . 19.9 p -65.79 -16.0 63.4 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 117.297 0.548 . . . . 0.0 110.752 -179.552 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' L' L ' 10' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -106.1 -20.96 13.25 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.752 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 11' ' ' LEU . . . . . 0.582 HD11 ' HB2' ' K' ' 7' ' ' CYS . 72.6 mt -68.06 -37.46 81.31 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 177.253 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' L' L ' 12' ' ' VAL . . . . . 0.642 ' HA ' ' HB2' ' L' ' 15' ' ' LEU . 4.8 m -67.21 -33.27 61.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 115.074 -0.966 . . . . 0.0 111.848 179.599 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' L' L ' 13' ' ' GLU . . . . . 0.869 ' HG2' ' HB2' ' J' ' 9' ' ' SER . 43.2 mt-10 -56.71 -42.07 78.5 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-O 121.315 0.579 . . . . 0.0 110.185 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' L' L ' 14' ' ' ALA . . . . . 0.462 ' O ' HG23 ' L' ' 18' ' ' VAL . . . -81.35 -33.49 32.38 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.61 178.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' L' L ' 15' ' ' LEU . . . . . 0.642 ' HB2' ' HA ' ' L' ' 12' ' ' VAL . 3.0 mt -55.39 -54.67 40.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.491 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' L' L ' 16' ' ' TYR . . . . . 0.759 ' HB3' ' CE1' ' L' ' 24' ' ' PHE . 6.6 p90 -76.96 -14.55 59.84 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 119.721 -0.792 . . . . 0.0 111.152 -179.311 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' L' L ' 17' ' ' LEU . . . . . 0.542 HD23 HD23 ' F' ' 17' ' ' LEU . 32.7 tp -69.65 -34.59 74.23 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 177.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' L' L ' 18' ' ' VAL . . . . . 0.462 HG23 ' O ' ' L' ' 14' ' ' ALA . 94.4 t -67.91 -45.2 84.39 Favored 'Isoleucine or valine' 0 C--O 1.231 0.12 0 CA-C-N 115.111 -0.95 . . . . 0.0 109.53 178.221 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' L' L ' 19' ' ' CYS . . . . . 0.682 ' HB3' ' HB2' ' L' ' 22' ' ' ARG . 89.3 m -68.38 -42.33 79.28 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.069 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' L' L ' 20' ' ' GLY . . . . . 0.418 ' HA2' ' HE1' ' J' ' 5' ' ' HIS . . . 67.72 -86.21 0.16 Allowed Glycine 0 N--CA 1.451 -0.314 0 CA-C-N 116.262 -0.426 . . . . 0.0 113.004 179.422 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' L' L ' 21' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -88.89 -7.46 56.06 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.638 0.256 . . . . 0.0 110.687 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 22' ' ' ARG . . . . . 0.682 ' HB2' ' HB3' ' L' ' 19' ' ' CYS . 19.6 mtt85 -103.55 173.72 6.18 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.167 -179.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' L' L ' 23' ' ' GLY . . . . . 0.822 ' HA2' ' HD2' ' J' ' 28' ' ' PRO . . . -113.83 -159.25 13.11 Favored Glycine 0 N--CA 1.449 -0.498 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 178.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' L' L ' 24' ' ' PHE . . . . . 0.759 ' CE1' ' HB3' ' L' ' 16' ' ' TYR . 8.9 p90 -173.68 158.78 3.4 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 117.145 0.472 . . . . 0.0 110.485 179.438 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' L' L ' 25' ' ' PHE . . . . . 0.511 ' HE1' ' HD1' ' K' ' 19' ' ' TYR . 3.8 p90 -104.99 123.9 48.59 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 178.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' L' L ' 26' ' ' TYR . . . . . 0.573 ' OH ' ' HA3' ' L' ' 8' ' ' GLY . 77.9 t80 -115.72 123.44 48.29 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.998 -178.511 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' L' L ' 27' ' ' THR . . . . . 0.468 HG22 ' HA3' ' J' ' 23' ' ' GLY . 5.5 p -126.59 97.41 33.62 Favored Pre-proline 0 C--N 1.317 -0.834 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.812 179.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' L' L ' 28' ' ' PRO . . . . . 0.84 ' HD2' ' HA2' ' J' ' 23' ' ' GLY . 61.6 Cg_endo -73.6 52.69 2.53 Favored 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 122.978 2.452 . . . . 0.0 111.435 179.629 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' L' L ' 29' ' ' LYS . . . . . . . . . . . . . 29.3 tttt . . . . . 0 C--N 1.32 -0.705 0 CA-C-N 114.621 -1.172 . . . . 0.0 109.265 -179.208 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.23 0 N-CA-C 111.475 -0.65 . . . . 0.0 111.475 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.9 tt 177.61 -40.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.414 0.626 . . . . 0.0 110.524 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 97.3 t -59.92 -34.21 55.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.303 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.532 ' H ' ' CD ' ' A' ' 4' ' ' GLU . 2.5 mp0 -57.63 -22.99 48.76 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 113.072 0.768 . . . . 0.0 113.072 -179.041 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.448 ' HG3' ' SG ' ' A' ' 11' ' ' CYS . 14.5 pt20 -124.93 -38.23 2.37 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -178.721 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 78.7 m -78.89 -25.54 43.84 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.052 0.389 . . . . 0.0 112.052 -178.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.795 ' HB2' HD11 ' B' ' 11' ' ' LEU . 41.0 t -98.04 -6.47 31.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.955 0.407 . . . . 0.0 111.297 -179.698 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.7 p -90.97 -61.36 1.69 Allowed 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.117 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.486 ' O ' ' HB ' ' A' ' 10' ' ' ILE . 13.3 p -130.06 15.39 5.71 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -179.488 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.549 HD11 ' HB ' ' F' ' 2' ' ' VAL . 2.2 mp 73.5 136.03 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-O 121.46 0.647 . . . . 0.0 111.402 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.448 ' SG ' ' HG3' ' A' ' 5' ' ' GLN . 91.2 m -91.79 158.81 16.14 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.793 179.407 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 26.1 t -74.99 166.45 23.64 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.179 179.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.2 tt -57.98 -60.41 3.76 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.311 -179.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -65.38 -19.43 65.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.017 0.437 . . . . 0.0 110.978 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -75.31 -31.45 60.65 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.252 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 84.2 mt -71.74 -29.69 64.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.134 0.492 . . . . 0.0 110.045 178.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -63.76 -15.95 59.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.436 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -69.39 -18.5 63.77 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.196 0.522 . . . . 0.0 110.292 178.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 55.3 m-85 -104.44 -2.79 24.87 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.145 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.424 ' HA ' ' CB ' ' B' ' 24' ' ' PHE . 3.7 t -88.33 -176.33 5.32 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.613 179.642 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.6 m120 . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.459 -0.781 . . . . 0.0 110.813 179.768 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 49.2 t80 . . . . . 0 N--CA 1.483 1.192 0 N-CA-C 110.549 -0.167 . . . . 0.0 110.549 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . 0.522 ' HB ' HD11 ' I' ' 10' ' ' ILE . 11.5 m 47.97 -159.16 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 C-N-CA 124.587 1.155 . . . . 0.0 112.677 -179.352 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . 0.472 ' CG ' ' H ' ' B' ' 4' ' ' GLN . 43.3 t30 -150.33 -167.58 2.86 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.955 0.407 . . . . 0.0 111.079 -178.161 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . 0.472 ' H ' ' CG ' ' B' ' 3' ' ' ASN . 29.0 tt0 -49.1 -35.91 17.45 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 124.019 0.928 . . . . 0.0 112.297 179.612 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . 0.481 ' CD2' HG21 ' I' ' 10' ' ' ILE . 55.4 t60 -59.0 -18.29 32.89 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -178.61 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.516 HD12 HG11 ' B' ' 2' ' ' VAL . 25.2 mt -120.07 -20.22 7.51 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.142 0.496 . . . . 0.0 110.802 179.072 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . 0.458 ' O ' ' HG ' ' B' ' 11' ' ' LEU . 36.6 t -75.88 -44.3 41.28 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.568 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . 0.585 ' O ' HG22 ' B' ' 12' ' ' VAL . . . -61.24 -27.24 67.2 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 121.168 -0.539 . . . . 0.0 112.798 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . 0.428 ' O ' ' HG2' ' D' ' 13' ' ' GLU . 7.1 m -57.67 -27.23 62.68 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 122.96 0.504 . . . . 0.0 111.209 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . 0.624 ' HA ' ' HG3' ' B' ' 13' ' ' GLU . 95.1 m-70 -104.63 -12.08 16.59 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.454 -178.596 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.795 HD11 ' HB2' ' A' ' 7' ' ' CYS . 47.3 mt -74.32 -38.18 63.37 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 177.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.585 HG22 ' O ' ' B' ' 8' ' ' GLY . 0.7 OUTLIER -67.78 -30.3 48.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.082 -0.963 . . . . 0.0 111.941 179.723 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.624 ' HG3' ' HA ' ' B' ' 10' ' ' HIS . 25.7 mt-10 -57.39 -54.99 40.57 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 121.079 0.466 . . . . 0.0 109.831 179.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.16 -32.9 72.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.905 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.564 ' HB2' ' HA ' ' B' ' 12' ' ' VAL . 2.5 mt -52.78 -62.68 1.49 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.047 -0.524 . . . . 0.0 112.013 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . 0.74 ' HB3' ' CE1' ' B' ' 24' ' ' PHE . 3.2 p90 -76.67 -16.37 59.55 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 119.813 -0.755 . . . . 0.0 111.166 -179.094 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.493 ' HB2' ' O ' ' B' ' 13' ' ' GLU . 7.9 tt -68.36 -40.29 81.54 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 178.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 52.2 t -67.67 -43.78 86.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.692 178.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . 0.994 ' HB3' ' HB3' ' B' ' 22' ' ' ARG . 73.6 m -67.66 -37.84 82.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.273 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.53 -108.03 2.59 Favored Glycine 0 N--CA 1.451 -0.336 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -179.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.522 ' O ' ' HD2' ' D' ' 29' ' ' LYS . 56.0 mt-10 -96.85 51.8 1.15 Allowed 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 178.134 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . 0.994 ' HB3' ' HB3' ' B' ' 19' ' ' CYS . 74.7 ttt180 -140.96 131.02 24.66 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.799 -1.091 . . . . 0.0 109.181 -178.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . 0.659 ' HA3' HG22 ' D' ' 27' ' ' THR . . . -83.36 170.86 49.34 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.673 -0.775 . . . . 0.0 113.477 -178.487 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . 0.74 ' CE1' ' HB3' ' B' ' 16' ' ' TYR . 11.2 p90 -154.43 170.72 20.71 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-O 121.124 0.488 . . . . 0.0 110.295 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -116.66 132.59 56.65 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -129.96 119.16 22.77 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.122 0.487 . . . . 0.0 110.997 -179.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . 0.661 HG22 ' HA3' ' D' ' 23' ' ' GLY . 9.3 p -123.1 101.85 38.03 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.39 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . 0.588 ' HD2' ' HA2' ' D' ' 23' ' ' GLY . 90.4 Cg_endo -78.84 50.72 3.55 Favored 'Trans proline' 0 C--O 1.234 0.281 0 C-N-CA 122.527 2.151 . . . . 0.0 111.743 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.503 ' HD2' ' O ' ' D' ' 21' ' ' GLU . 63.2 tttm -153.01 92.55 1.64 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.388 -179.497 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 5.2 m . . . . . 0 C--O 1.25 1.117 0 CA-C-O 118.105 -0.95 . . . . 0.0 110.234 -178.848 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.656 0 N-CA-C 112.56 -0.216 . . . . 0.0 112.56 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 7.9 tt 179.82 -40.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 121.161 0.505 . . . . 0.0 110.174 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 96.5 t -59.76 -33.41 52.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.366 -179.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 4' ' ' GLU . . . . . 0.498 ' H ' ' CD ' ' C' ' 4' ' ' GLU . 2.3 mp0 -57.76 -24.83 58.99 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.772 -178.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 5' ' ' GLN . . . . . 0.454 ' HG3' ' SG ' ' C' ' 11' ' ' CYS . 14.2 pt20 -123.33 -38.04 2.61 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 -179.055 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 76.5 m -78.59 -25.29 45.21 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -178.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 7' ' ' CYS . . . . . 0.784 ' HB2' HD11 ' D' ' 11' ' ' LEU . 41.1 t -98.19 -6.18 31.86 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.199 -179.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 2.8 p -91.26 -61.15 1.72 Allowed 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.726 -0.39 . . . . 0.0 111.232 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 9' ' ' SER . . . . . 0.507 ' O ' ' HB ' ' C' ' 10' ' ' ILE . 15.3 p -130.39 16.02 5.5 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -179.495 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . 0.538 HD11 ' HB ' ' L' ' 2' ' ' VAL . 2.2 mp 73.15 136.71 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-O 121.413 0.625 . . . . 0.0 111.504 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 11' ' ' CYS . . . . . 0.454 ' SG ' ' HG3' ' C' ' 5' ' ' GLN . 95.3 m -92.42 158.5 16.02 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.693 179.286 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 25.1 t -74.92 166.98 22.78 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.128 179.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 10.3 tt -58.21 -60.15 4.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.337 -179.189 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -65.68 -19.72 66.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.195 0.521 . . . . 0.0 110.901 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -74.88 -32.02 61.75 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.245 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 79.9 mt -70.94 -29.55 65.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.174 178.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -63.88 -15.99 60.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.548 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -68.99 -19.03 64.14 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 121.143 0.497 . . . . 0.0 110.442 178.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -104.01 -2.44 26.03 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.072 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 20' ' ' CYS . . . . . 0.424 ' HA ' ' HB3' ' D' ' 24' ' ' PHE . 3.9 t -89.3 -178.5 5.64 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.157 -0.929 . . . . 0.0 109.663 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 3.5 m120 . . . . . 0 C--O 1.251 1.165 0 CA-C-O 118.443 -0.789 . . . . 0.0 110.523 179.828 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 48.6 t80 . . . . . 0 N--CA 1.485 1.275 0 CA-C-O 120.572 0.225 . . . . 0.0 110.727 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' D' D ' 2' ' ' VAL . . . . . 0.543 ' HB ' HD11 ' G' ' 10' ' ' ILE . 11.9 m 47.0 -158.88 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 124.562 1.145 . . . . 0.0 112.723 -179.543 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 3' ' ' ASN . . . . . 0.456 ' CG ' ' H ' ' D' ' 4' ' ' GLN . 39.4 t30 -150.14 -167.64 2.88 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.902 0.382 . . . . 0.0 111.192 -178.279 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 4' ' ' GLN . . . . . 0.456 ' H ' ' CG ' ' D' ' 3' ' ' ASN . 30.0 tt0 -48.95 -36.68 17.99 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 123.983 0.913 . . . . 0.0 112.167 179.707 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 5' ' ' HIS . . . . . 0.451 ' CD2' HG21 ' G' ' 10' ' ' ILE . 57.5 t60 -58.27 -18.42 26.69 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 112.751 0.649 . . . . 0.0 112.751 -178.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 6' ' ' LEU . . . . . 0.519 HD12 HG11 ' D' ' 2' ' ' VAL . 25.1 mt -119.8 -20.41 7.61 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.368 0.604 . . . . 0.0 110.814 179.16 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 7' ' ' CYS . . . . . 0.463 ' O ' ' HG ' ' D' ' 11' ' ' LEU . 36.7 t -75.67 -44.41 42.47 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.59 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 8' ' ' GLY . . . . . 0.58 ' O ' HG22 ' D' ' 12' ' ' VAL . . . -61.46 -26.7 66.75 Favored Glycine 0 C--N 1.332 0.307 0 C-N-CA 121.277 -0.487 . . . . 0.0 112.697 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 9' ' ' SER . . . . . 0.449 ' O ' ' HG2' ' B' ' 13' ' ' GLU . 5.6 m -58.1 -27.07 63.37 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.08 0.467 . . . . 0.0 111.29 -179.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 10' ' ' HIS . . . . . 0.651 ' HA ' ' HG3' ' D' ' 13' ' ' GLU . 94.7 m-70 -104.83 -12.06 16.47 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.463 -178.535 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 11' ' ' LEU . . . . . 0.784 HD11 ' HB2' ' C' ' 7' ' ' CYS . 48.2 mt -74.23 -38.45 63.52 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 177.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 12' ' ' VAL . . . . . 0.58 HG22 ' O ' ' D' ' 8' ' ' GLY . 0.7 OUTLIER -67.49 -30.26 48.3 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-N 115.124 -0.944 . . . . 0.0 112.025 179.643 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 13' ' ' GLU . . . . . 0.651 ' HG3' ' HA ' ' D' ' 10' ' ' HIS . 25.2 mt-10 -57.27 -55.14 38.66 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.2 -32.63 72.04 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.93 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 15' ' ' LEU . . . . . 0.565 ' HB2' ' HA ' ' D' ' 12' ' ' VAL . 2.6 mt -52.93 -63.25 1.21 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.9 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 16' ' ' TYR . . . . . 0.742 ' HB3' ' CE1' ' D' ' 24' ' ' PHE . 3.2 p90 -76.03 -16.26 59.98 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.026 -0.669 . . . . 0.0 111.153 -178.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . 0.492 ' HB2' ' O ' ' D' ' 13' ' ' GLU . 8.1 tt -68.71 -40.87 79.78 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 178.79 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 52.8 t -66.94 -44.36 88.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.353 -0.839 . . . . 0.0 109.661 178.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 19' ' ' CYS . . . . . 0.992 ' HB3' ' HB3' ' D' ' 22' ' ' ARG . 75.1 m -67.32 -37.94 84.13 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.434 179.777 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.51 -107.75 2.53 Favored Glycine 0 N--CA 1.451 -0.364 0 N-CA-C 111.452 -0.659 . . . . 0.0 111.452 -179.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 21' ' ' GLU . . . . . 0.503 ' O ' ' HD2' ' B' ' 29' ' ' LYS . 52.4 mt-10 -96.94 51.43 1.13 Allowed 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 178.213 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 22' ' ' ARG . . . . . 0.992 ' HB3' ' HB3' ' D' ' 19' ' ' CYS . 74.5 ttt180 -140.41 132.66 28.19 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 114.825 -1.08 . . . . 0.0 109.006 -178.544 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 23' ' ' GLY . . . . . 0.661 ' HA3' HG22 ' B' ' 27' ' ' THR . . . -84.44 170.56 46.7 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.803 -0.713 . . . . 0.0 113.396 -178.662 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 24' ' ' PHE . . . . . 0.742 ' CE1' ' HB3' ' D' ' 16' ' ' TYR . 10.9 p90 -154.4 170.8 20.49 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-O 121.166 0.508 . . . . 0.0 110.505 179.728 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 25' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -116.7 132.19 56.75 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.292 179.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 26' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -129.51 119.31 23.5 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.211 0.529 . . . . 0.0 110.998 -179.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 27' ' ' THR . . . . . 0.659 HG22 ' HA3' ' B' ' 23' ' ' GLY . 6.7 p -123.53 101.78 36.74 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.344 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 28' ' ' PRO . . . . . 0.569 ' HD2' ' HA2' ' B' ' 23' ' ' GLY . 95.6 Cg_endo -79.47 51.58 3.94 Favored 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 122.76 2.307 . . . . 0.0 111.686 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 29' ' ' LYS . . . . . 0.522 ' HD2' ' O ' ' B' ' 21' ' ' GLU . 63.0 tttm -154.08 90.09 1.34 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.853 -179.364 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 16.0 m . . . . . 0 C--O 1.252 1.186 0 CA-C-O 118.167 -0.921 . . . . 0.0 110.162 -179.074 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.556 0 CA-C-O 121.104 0.28 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' E' E ' 2' ' ' ILE . . . . . . . . . . . . . 7.6 tt -178.1 -39.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.15 0.5 . . . . 0.0 110.246 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 91.7 t -59.84 -33.47 52.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.487 -0.778 . . . . 0.0 111.5 -179.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 4' ' ' GLU . . . . . 0.496 ' H ' ' CD ' ' E' ' 4' ' ' GLU . 2.4 mp0 -58.39 -23.15 56.25 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -178.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 5' ' ' GLN . . . . . 0.453 ' HG3' ' SG ' ' E' ' 11' ' ' CYS . 14.6 pt20 -124.28 -38.64 2.41 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -179.056 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 6' ' ' CYS . . . . . . . . . . . . . 79.4 m -78.63 -25.04 44.99 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -178.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 7' ' ' CYS . . . . . 0.773 ' HB2' HD11 ' F' ' 11' ' ' LEU . 41.5 t -98.02 -6.86 31.04 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.998 0.428 . . . . 0.0 111.375 -179.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 2.7 p -90.71 -62.33 1.48 Allowed 'General case' 0 C--N 1.323 -0.554 0 O-C-N 122.158 -0.339 . . . . 0.0 111.114 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 9' ' ' SER . . . . . 0.48 ' O ' ' HB ' ' E' ' 10' ' ' ILE . 17.5 p -129.37 16.85 6.01 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -179.534 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 10' ' ' ILE . . . . . 0.533 HD11 ' HB ' ' J' ' 2' ' ' VAL . 2.2 mp 72.46 138.22 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 CA-C-O 121.449 0.642 . . . . 0.0 111.485 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 11' ' ' CYS . . . . . 0.453 ' SG ' ' HG3' ' E' ' 5' ' ' GLN . 89.3 m -93.89 158.45 15.64 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.73 179.35 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 12' ' ' SER . . . . . . . . . . . . . 22.8 t -74.77 166.18 24.03 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.14 179.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 10.2 tt -57.29 -60.6 3.38 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.456 -179.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -65.02 -20.24 66.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.294 0.568 . . . . 0.0 110.88 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -74.42 -32.19 62.57 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.286 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 16' ' ' LEU . . . . . . . . . . . . . 82.7 mt -71.16 -29.75 65.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.165 178.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 17' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -63.67 -17.65 63.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.411 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 18' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -67.11 -20.56 65.8 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.125 0.488 . . . . 0.0 110.493 178.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 19' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -102.79 -0.67 31.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.409 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 20' ' ' CYS . . . . . 0.423 ' HA ' ' HB3' ' F' ' 24' ' ' PHE . 3.9 t -90.56 -177.12 4.96 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.544 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 21' ' ' ASN . . . . . . . . . . . . . 3.2 m120 . . . . . 0 C--O 1.245 0.854 0 CA-C-O 118.67 -0.681 . . . . 0.0 110.397 179.603 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' F' F ' 1' ' ' PHE . . . . . . . . . . . . . 47.2 t80 . . . . . 0 N--CA 1.48 1.066 0 CA-C-O 120.46 0.171 . . . . 0.0 110.813 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' F' F ' 2' ' ' VAL . . . . . 0.549 ' HB ' HD11 ' A' ' 10' ' ' ILE . 10.9 m 47.88 -158.55 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 124.716 1.206 . . . . 0.0 112.679 -179.42 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 3' ' ' ASN . . . . . 0.432 ' CG ' ' H ' ' F' ' 4' ' ' GLN . 36.0 t30 -151.38 -167.9 2.93 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.848 0.356 . . . . 0.0 111.047 -178.092 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 4' ' ' GLN . . . . . 0.432 ' H ' ' CG ' ' F' ' 3' ' ' ASN . 29.4 tt0 -48.28 -37.21 15.75 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 124.07 0.948 . . . . 0.0 112.252 179.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 5' ' ' HIS . . . . . 0.472 ' CD2' HG21 ' A' ' 10' ' ' ILE . 55.3 t60 -57.85 -18.98 25.73 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -178.648 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 6' ' ' LEU . . . . . 0.507 HD12 HG11 ' F' ' 2' ' ' VAL . 26.2 mt -119.43 -19.75 8.09 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.266 0.555 . . . . 0.0 110.964 179.131 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 7' ' ' CYS . . . . . 0.452 ' O ' ' HG ' ' F' ' 11' ' ' LEU . 35.7 t -76.12 -44.66 37.5 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.667 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 8' ' ' GLY . . . . . 0.574 ' O ' HG22 ' F' ' 12' ' ' VAL . . . -60.99 -26.88 66.21 Favored Glycine 0 N--CA 1.453 -0.216 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.676 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 9' ' ' SER . . . . . 0.435 ' O ' ' HG2' ' H' ' 13' ' ' GLU . 6.8 m -57.85 -27.45 63.24 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 123.047 0.539 . . . . 0.0 111.124 -179.644 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 10' ' ' HIS . . . . . 0.637 ' HA ' ' HG3' ' F' ' 13' ' ' GLU . 94.9 m-70 -104.53 -12.2 16.6 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.538 -178.598 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 11' ' ' LEU . . . . . 0.773 HD11 ' HB2' ' E' ' 7' ' ' CYS . 46.2 mt -74.29 -38.16 63.45 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 177.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 12' ' ' VAL . . . . . 0.574 HG22 ' O ' ' F' ' 8' ' ' GLY . 0.8 OUTLIER -67.76 -30.24 47.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.257 -0.883 . . . . 0.0 112.14 179.694 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' F' F ' 13' ' ' GLU . . . . . 0.637 ' HG3' ' HA ' ' F' ' 10' ' ' HIS . 25.5 mt-10 -57.35 -55.26 37.11 Favored 'General case' 0 CA--C 1.519 -0.232 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.19 -32.39 71.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.1 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 15' ' ' LEU . . . . . 0.556 ' HB2' ' HA ' ' F' ' 12' ' ' VAL . 2.2 mt -52.93 -62.9 1.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.944 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 16' ' ' TYR . . . . . 0.739 ' HB3' ' CE1' ' F' ' 24' ' ' PHE . 3.2 p90 -76.18 -16.82 59.78 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.048 -0.661 . . . . 0.0 111.019 -179.235 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 17' ' ' LEU . . . . . 0.488 ' HB2' ' O ' ' F' ' 13' ' ' GLU . 8.2 tt -68.42 -39.38 81.6 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 178.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 54.2 t -68.63 -42.87 83.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.496 -0.774 . . . . 0.0 109.755 178.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 19' ' ' CYS . . . . . 0.98 ' HB3' ' HB3' ' F' ' 22' ' ' ARG . 73.4 m -68.74 -36.86 78.94 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.578 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.81 -108.47 2.62 Favored Glycine 0 N--CA 1.45 -0.407 0 N-CA-C 111.383 -0.687 . . . . 0.0 111.383 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 21' ' ' GLU . . . . . 0.499 ' O ' ' HD2' ' H' ' 29' ' ' LYS . 55.8 mt-10 -96.24 51.37 1.21 Allowed 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 178.047 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 22' ' ' ARG . . . . . 0.98 ' HB3' ' HB3' ' F' ' 19' ' ' CYS . 74.2 ttt180 -140.27 131.44 26.47 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.892 -1.049 . . . . 0.0 109.13 -178.619 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 23' ' ' GLY . . . . . 0.684 ' HA3' HG22 ' H' ' 27' ' ' THR . . . -83.01 170.99 50.24 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.872 -0.68 . . . . 0.0 113.335 -178.721 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 24' ' ' PHE . . . . . 0.739 ' CE1' ' HB3' ' F' ' 16' ' ' TYR . 11.1 p90 -155.15 170.21 22.34 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-O 121.037 0.446 . . . . 0.0 110.183 179.715 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 25' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -116.33 132.03 56.78 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.208 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 26' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -129.0 119.85 24.99 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.183 0.516 . . . . 0.0 110.916 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 27' ' ' THR . . . . . 0.697 HG22 ' HA3' ' H' ' 23' ' ' GLY . 7.6 p -123.96 101.74 35.39 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.54 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 28' ' ' PRO . . . . . 0.582 ' HD2' ' HA2' ' H' ' 23' ' ' GLY . 88.5 Cg_endo -79.3 52.39 4.26 Favored 'Trans proline' 0 C--O 1.234 0.31 0 C-N-CA 122.785 2.323 . . . . 0.0 111.68 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 29' ' ' LYS . . . . . 0.529 ' HD2' ' O ' ' H' ' 21' ' ' GLU . 62.2 tttm -155.07 91.5 1.36 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.527 -179.485 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 30' ' ' THR . . . . . . . . . . . . . 5.5 m . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.165 -0.921 . . . . 0.0 110.264 -179.011 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' G' G ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.734 0 N-CA-C 112.615 -0.194 . . . . 0.0 112.615 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' G' G ' 2' ' ' ILE . . . . . . . . . . . . . 7.6 tt -179.94 -39.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.401 0.619 . . . . 0.0 110.276 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 3' ' ' VAL . . . . . 0.406 ' O ' ' HB3' ' G' ' 7' ' ' CYS . 98.6 t -60.11 -33.61 53.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.479 -179.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 4' ' ' GLU . . . . . 0.51 ' H ' ' CD ' ' G' ' 4' ' ' GLU . 2.3 mp0 -58.25 -23.21 55.24 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.97 0.73 . . . . 0.0 112.97 -178.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 5' ' ' GLN . . . . . 0.453 ' HG3' ' SG ' ' G' ' 11' ' ' CYS . 14.7 pt20 -124.38 -38.97 2.37 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -179.227 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 6' ' ' CYS . . . . . . . . . . . . . 82.5 m -78.17 -24.19 47.36 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -178.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 7' ' ' CYS . . . . . 0.795 ' HB2' HD11 ' H' ' 11' ' ' LEU . 41.6 t -99.36 -6.36 27.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.069 0.461 . . . . 0.0 111.309 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 8' ' ' THR . . . . . . . . . . . . . 2.0 p -90.65 -62.32 1.48 Allowed 'General case' 0 C--N 1.323 -0.564 0 O-C-N 122.09 -0.381 . . . . 0.0 110.996 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 9' ' ' SER . . . . . 0.507 ' O ' ' HB ' ' G' ' 10' ' ' ILE . 17.0 p -129.49 15.22 6.04 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -179.478 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 10' ' ' ILE . . . . . 0.543 HD11 ' HB ' ' D' ' 2' ' ' VAL . 2.2 mp 74.34 136.96 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 CA-C-O 121.483 0.658 . . . . 0.0 111.524 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 11' ' ' CYS . . . . . 0.453 ' SG ' ' HG3' ' G' ' 5' ' ' GLN . 92.1 m -92.43 159.81 15.37 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.647 179.343 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 12' ' ' SER . . . . . . . . . . . . . 22.8 t -76.12 167.84 21.13 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.286 -0.415 . . . . 0.0 109.966 179.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 13' ' ' LEU . . . . . . . . . . . . . 10.3 tt -58.98 -60.37 3.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.436 -179.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 3.4 p90 -64.8 -20.75 66.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.133 0.492 . . . . 0.0 110.769 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -73.77 -32.78 63.96 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.331 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 16' ' ' LEU . . . . . . . . . . . . . 82.4 mt -70.73 -29.72 66.05 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.211 178.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 17' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -63.61 -16.58 61.27 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.514 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 18' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -68.56 -18.35 64.32 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.083 0.468 . . . . 0.0 110.514 178.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 19' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -104.87 -1.19 26.3 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.979 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 20' ' ' CYS . . . . . 0.408 ' HA ' ' CB ' ' H' ' 24' ' ' PHE . 3.7 t -90.59 -178.79 5.39 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.475 179.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 21' ' ' ASN . . . . . . . . . . . . . 3.4 m120 . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.577 -0.725 . . . . 0.0 110.548 179.824 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' H' H ' 1' ' ' PHE . . . . . . . . . . . . . 48.0 t80 . . . . . 0 N--CA 1.482 1.147 0 CA-C-O 120.561 0.219 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' H' H ' 2' ' ' VAL . . . . . 0.532 ' HB ' HD11 ' K' ' 10' ' ' ILE . 11.4 m 47.99 -159.09 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 124.548 1.139 . . . . 0.0 112.7 -179.461 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 3' ' ' ASN . . . . . 0.46 ' CG ' ' H ' ' H' ' 4' ' ' GLN . 37.3 t30 -150.51 -167.7 2.89 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.904 -0.318 . . . . 0.0 111.278 -178.204 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 4' ' ' GLN . . . . . 0.46 ' H ' ' CG ' ' H' ' 3' ' ' ASN . 28.7 tt0 -48.58 -36.77 16.3 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 124.0 0.92 . . . . 0.0 112.134 179.641 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 5' ' ' HIS . . . . . 0.461 ' CD2' HG21 ' K' ' 10' ' ' ILE . 55.3 t60 -58.55 -18.14 27.2 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 -178.484 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 6' ' ' LEU . . . . . 0.527 HD12 HG11 ' H' ' 2' ' ' VAL . 24.2 mt -120.34 -20.04 7.41 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.217 0.532 . . . . 0.0 110.673 179.225 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 7' ' ' CYS . . . . . 0.45 ' O ' ' HG ' ' H' ' 11' ' ' LEU . 35.0 t -76.14 -44.17 39.52 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.65 179.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 8' ' ' GLY . . . . . 0.571 ' O ' HG22 ' H' ' 12' ' ' VAL . . . -61.31 -26.71 66.53 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 121.268 -0.491 . . . . 0.0 112.752 179.758 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 9' ' ' SER . . . . . 0.432 ' O ' ' HG2' ' F' ' 13' ' ' GLU . 5.7 m -57.98 -27.67 63.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.152 0.501 . . . . 0.0 111.167 -179.668 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 10' ' ' HIS . . . . . 0.639 ' HA ' ' HG3' ' H' ' 13' ' ' GLU . 94.4 m-70 -104.24 -11.98 16.91 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.396 -178.454 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 11' ' ' LEU . . . . . 0.795 HD11 ' HB2' ' G' ' 7' ' ' CYS . 47.5 mt -74.09 -38.41 63.89 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 177.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 12' ' ' VAL . . . . . 0.571 HG22 ' O ' ' H' ' 8' ' ' GLY . 0.8 OUTLIER -67.52 -30.28 48.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.115 -0.948 . . . . 0.0 111.89 179.706 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' H' H ' 13' ' ' GLU . . . . . 0.639 ' HG3' ' HA ' ' H' ' 10' ' ' HIS . 24.9 mt-10 -57.26 -55.65 32.03 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-O 121.032 0.444 . . . . 0.0 109.819 179.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.48 -33.05 73.47 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.097 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 15' ' ' LEU . . . . . 0.549 ' HB2' ' HA ' ' H' ' 12' ' ' VAL . 2.3 mt -52.51 -62.88 1.36 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.015 -179.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 16' ' ' TYR . . . . . 0.74 ' HB3' ' CE1' ' H' ' 24' ' ' PHE . 3.3 p90 -76.43 -16.43 59.69 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 120.06 -0.656 . . . . 0.0 111.1 -179.248 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 17' ' ' LEU . . . . . 0.485 ' HB2' ' O ' ' H' ' 13' ' ' GLU . 8.1 tt -68.82 -39.36 80.05 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 178.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 49.5 t -68.45 -44.38 83.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.523 178.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 19' ' ' CYS . . . . . 0.992 ' HB3' ' HB3' ' H' ' 22' ' ' ARG . 74.5 m -66.92 -37.4 84.28 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.595 179.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.64 -108.01 2.53 Favored Glycine 0 N--CA 1.451 -0.351 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 21' ' ' GLU . . . . . 0.529 ' O ' ' HD2' ' F' ' 29' ' ' LYS . 54.2 mt-10 -96.45 51.1 1.17 Allowed 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 178.282 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 22' ' ' ARG . . . . . 0.992 ' HB3' ' HB3' ' H' ' 19' ' ' CYS . 73.7 ttt180 -139.41 133.04 30.48 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.846 -1.07 . . . . 0.0 108.928 -178.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 23' ' ' GLY . . . . . 0.697 ' HA3' HG22 ' F' ' 27' ' ' THR . . . -84.62 170.9 46.73 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.644 -0.789 . . . . 0.0 113.159 -178.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 24' ' ' PHE . . . . . 0.74 ' CE1' ' HB3' ' H' ' 16' ' ' TYR . 11.7 p90 -155.07 169.92 23.0 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-O 121.104 0.478 . . . . 0.0 110.41 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 25' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -116.09 132.51 56.64 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.348 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 26' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -129.3 119.53 24.1 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.119 0.485 . . . . 0.0 111.013 -179.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 27' ' ' THR . . . . . 0.684 HG22 ' HA3' ' F' ' 23' ' ' GLY . 7.1 p -123.64 101.61 36.54 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.445 179.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 28' ' ' PRO . . . . . 0.58 ' HD2' ' HA2' ' F' ' 23' ' ' GLY . 82.7 Cg_endo -78.79 50.63 3.51 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.759 2.306 . . . . 0.0 111.825 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 29' ' ' LYS . . . . . 0.499 ' HD2' ' O ' ' F' ' 21' ' ' GLU . 62.7 tttm -153.45 90.43 1.41 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.88 -179.476 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 30' ' ' THR . . . . . . . . . . . . . 6.2 m . . . . . 0 C--O 1.252 1.21 0 CA-C-O 118.106 -0.949 . . . . 0.0 109.998 -178.878 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' I' I ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.691 0 N-CA-C 112.232 -0.347 . . . . 0.0 112.232 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' I' I ' 2' ' ' ILE . . . . . . . . . . . . . 7.5 tt -179.91 -40.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-O 121.203 0.525 . . . . 0.0 110.108 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 3' ' ' VAL . . . . . 0.4 ' O ' ' HB3' ' I' ' 7' ' ' CYS . 99.6 t -59.34 -34.53 54.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.499 -179.667 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 4' ' ' GLU . . . . . 0.504 ' CD ' ' H ' ' I' ' 4' ' ' GLU . 2.5 mp0 -57.34 -22.87 45.26 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 -178.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 5' ' ' GLN . . . . . 0.46 ' HG3' ' SG ' ' I' ' 11' ' ' CYS . 14.7 pt20 -124.77 -38.98 2.31 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -179.029 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 6' ' ' CYS . . . . . . . . . . . . . 70.8 m -78.12 -24.57 47.41 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 112.335 0.495 . . . . 0.0 112.335 -178.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 7' ' ' CYS . . . . . 0.773 ' HB2' HD11 ' J' ' 11' ' ' LEU . 41.3 t -98.92 -5.8 30.06 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.929 0.395 . . . . 0.0 111.162 -179.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 8' ' ' THR . . . . . . . . . . . . . 2.4 p -91.39 -62.1 1.51 Allowed 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.959 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 9' ' ' SER . . . . . 0.504 ' O ' ' HB ' ' I' ' 10' ' ' ILE . 20.5 p -129.65 16.04 5.9 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -179.554 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 10' ' ' ILE . . . . . 0.522 HD11 ' HB ' ' B' ' 2' ' ' VAL . 2.2 mp 73.28 136.4 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 CA-C-O 121.627 0.727 . . . . 0.0 111.51 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 11' ' ' CYS . . . . . 0.46 ' SG ' ' HG3' ' I' ' 5' ' ' GLN . 92.3 m -92.06 158.69 16.08 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.844 179.269 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 12' ' ' SER . . . . . . . . . . . . . 30.0 t -75.22 166.92 22.87 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.145 179.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 13' ' ' LEU . . . . . . . . . . . . . 10.0 tt -57.48 -61.48 2.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.248 -179.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -64.86 -19.06 65.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.027 0.441 . . . . 0.0 111.186 -179.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -75.47 -32.14 60.5 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.083 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 16' ' ' LEU . . . . . . . . . . . . . 83.9 mt -70.89 -29.98 66.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.018 0.437 . . . . 0.0 110.184 178.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 17' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -63.67 -16.09 60.1 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.518 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 18' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -69.15 -18.44 63.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.109 0.481 . . . . 0.0 110.497 178.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 19' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -104.35 -2.68 25.16 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.14 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 20' ' ' CYS . . . . . 0.43 ' HA ' ' HB3' ' J' ' 24' ' ' PHE . 3.6 t -88.4 -176.59 5.39 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.783 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 21' ' ' ASN . . . . . . . . . . . . . 3.4 m120 . . . . . 0 C--O 1.244 0.812 0 CA-C-O 118.605 -0.712 . . . . 0.0 110.644 179.868 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' J' J ' 1' ' ' PHE . . . . . . . . . . . . . 49.1 t80 . . . . . 0 N--CA 1.481 1.102 0 CA-C-O 120.339 0.114 . . . . 0.0 110.764 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' J' J ' 2' ' ' VAL . . . . . 0.533 ' HB ' HD11 ' E' ' 10' ' ' ILE . 11.1 m 47.92 -159.56 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 124.655 1.182 . . . . 0.0 112.579 -179.61 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 3' ' ' ASN . . . . . 0.429 ' CG ' ' H ' ' J' ' 4' ' ' GLN . 34.0 t30 -150.35 -167.98 2.97 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 122.155 -0.341 . . . . 0.0 111.084 -178.124 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 4' ' ' GLN . . . . . 0.429 ' H ' ' CG ' ' J' ' 3' ' ' ASN . 29.6 tt0 -48.34 -36.65 14.84 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 124.061 0.944 . . . . 0.0 112.231 179.759 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 5' ' ' HIS . . . . . 0.462 ' CD2' HG21 ' E' ' 10' ' ' ILE . 56.0 t60 -58.65 -17.89 26.11 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -178.546 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 6' ' ' LEU . . . . . 0.526 HD12 HG11 ' J' ' 2' ' ' VAL . 24.4 mt -120.37 -19.9 7.44 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.297 0.57 . . . . 0.0 110.729 179.26 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 7' ' ' CYS . . . . . 0.45 ' O ' ' HG ' ' J' ' 11' ' ' LEU . 40.0 t -76.02 -45.09 36.25 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.578 179.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 8' ' ' GLY . . . . . 0.589 ' O ' HG22 ' J' ' 12' ' ' VAL . . . -60.42 -27.58 65.93 Favored Glycine 0 N--CA 1.449 -0.478 0 CA-C-N 115.927 -0.579 . . . . 0.0 112.728 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 9' ' ' SER . . . . . 0.428 ' O ' ' HG2' ' L' ' 13' ' ' GLU . 7.0 m -57.43 -27.35 62.33 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 122.961 0.504 . . . . 0.0 111.291 -179.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 10' ' ' HIS . . . . . 0.634 ' HA ' ' HG3' ' J' ' 13' ' ' GLU . 94.6 m-70 -104.68 -12.31 16.44 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.414 -178.553 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 11' ' ' LEU . . . . . 0.773 HD11 ' HB2' ' I' ' 7' ' ' CYS . 46.8 mt -73.73 -38.77 64.67 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 177.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 12' ' ' VAL . . . . . 0.589 HG22 ' O ' ' J' ' 8' ' ' GLY . 0.7 OUTLIER -67.12 -30.48 49.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.056 -0.975 . . . . 0.0 112.011 179.794 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' J' J ' 13' ' ' GLU . . . . . 0.634 ' HG3' ' HA ' ' J' ' 10' ' ' HIS . 25.4 mt-10 -57.33 -55.04 39.86 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.32 -32.68 71.95 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.083 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 15' ' ' LEU . . . . . 0.554 ' HB2' ' HA ' ' J' ' 12' ' ' VAL . 2.5 mt -52.76 -62.86 1.37 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.949 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 16' ' ' TYR . . . . . 0.732 ' HB3' ' CE1' ' J' ' 24' ' ' PHE . 3.2 p90 -76.23 -16.45 59.82 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.153 -0.619 . . . . 0.0 111.009 -179.211 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 17' ' ' LEU . . . . . 0.487 ' HB2' ' O ' ' J' ' 13' ' ' GLU . 7.9 tt -68.81 -40.06 79.72 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 178.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 55.6 t -67.86 -43.62 85.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.549 178.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 19' ' ' CYS . . . . . 0.978 ' HB3' ' HB3' ' J' ' 22' ' ' ARG . 73.6 m -67.58 -38.62 84.32 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.304 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.09 -108.53 2.7 Favored Glycine 0 N--CA 1.451 -0.352 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 -179.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 21' ' ' GLU . . . . . 0.491 ' O ' ' HD2' ' L' ' 29' ' ' LYS . 53.8 mt-10 -95.94 52.24 1.3 Allowed 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 178.05 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 22' ' ' ARG . . . . . 0.978 ' HB3' ' HB3' ' J' ' 19' ' ' CYS . 73.7 ttt180 -141.13 132.92 27.39 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.975 -1.012 . . . . 0.0 109.103 -178.375 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 23' ' ' GLY . . . . . 0.715 ' HA3' HG22 ' L' ' 27' ' ' THR . . . -84.56 171.01 46.99 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.82 -0.705 . . . . 0.0 113.325 -178.632 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 24' ' ' PHE . . . . . 0.732 ' CE1' ' HB3' ' J' ' 16' ' ' TYR . 11.9 p90 -155.17 169.9 23.08 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-O 121.067 0.461 . . . . 0.0 110.502 179.622 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 25' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -116.12 132.68 56.59 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.381 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 26' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -129.87 119.27 23.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.215 0.531 . . . . 0.0 111.11 -179.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 27' ' ' THR . . . . . 0.678 HG22 ' HA3' ' L' ' 23' ' ' GLY . 7.8 p -123.33 101.35 37.85 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.548 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 28' ' ' PRO . . . . . 0.581 ' HD2' ' HA2' ' L' ' 23' ' ' GLY . 88.1 Cg_endo -78.85 51.51 3.86 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.804 2.336 . . . . 0.0 111.737 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 29' ' ' LYS . . . . . 0.436 ' HD2' ' O ' ' L' ' 21' ' ' GLU . 63.8 tttm -153.88 90.51 1.38 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.658 -179.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 30' ' ' THR . . . . . . . . . . . . . 7.3 m . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.428 -0.796 . . . . 0.0 109.882 -178.534 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.249 0 N-CA-C 112.178 -0.369 . . . . 0.0 112.178 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' K' K ' 2' ' ' ILE . . . . . . . . . . . . . 8.3 tt -179.45 -40.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 121.332 0.586 . . . . 0.0 110.373 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 3' ' ' VAL . . . . . 0.409 ' O ' ' HB3' ' K' ' 7' ' ' CYS . 92.3 t -59.85 -34.05 54.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.469 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' K' K ' 4' ' ' GLU . . . . . 0.502 ' CD ' ' H ' ' K' ' 4' ' ' GLU . 2.0 mp0 -57.95 -23.1 52.19 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.983 0.734 . . . . 0.0 112.983 -179.028 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' K' K ' 5' ' ' GLN . . . . . 0.467 ' HG3' ' SG ' ' K' ' 11' ' ' CYS . 14.5 pt20 -124.24 -38.91 2.39 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.762 0.652 . . . . 0.0 112.762 -179.018 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' K' K ' 6' ' ' CYS . . . . . . . . . . . . . 73.0 m -78.69 -24.15 45.22 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -178.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 7' ' ' CYS . . . . . 0.775 ' HB2' HD11 ' L' ' 11' ' ' LEU . 41.8 t -99.04 -6.67 28.08 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.957 0.408 . . . . 0.0 111.218 -179.636 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' K' K ' 8' ' ' THR . . . . . . . . . . . . . 2.7 p -90.69 -61.56 1.65 Allowed 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.741 -0.384 . . . . 0.0 111.015 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 9' ' ' SER . . . . . 0.528 ' O ' ' HB ' ' K' ' 10' ' ' ILE . 11.1 p -129.65 14.33 5.94 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -179.298 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' K' K ' 10' ' ' ILE . . . . . 0.532 HD11 ' HB ' ' H' ' 2' ' ' VAL . 2.2 mp 74.82 137.06 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 CA-C-O 121.376 0.608 . . . . 0.0 111.314 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' K' K ' 11' ' ' CYS . . . . . 0.467 ' SG ' ' HG3' ' K' ' 5' ' ' GLN . 91.1 m -92.76 159.07 15.58 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.539 179.206 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' K' K ' 12' ' ' SER . . . . . . . . . . . . . 22.5 t -76.3 165.75 24.42 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 179.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 13' ' ' LEU . . . . . . . . . . . . . 10.1 tt -56.3 -60.86 2.91 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.541 -179.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -64.72 -20.53 66.39 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.184 0.516 . . . . 0.0 111.016 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -74.09 -32.72 63.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.346 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 16' ' ' LEU . . . . . . . . . . . . . 84.5 mt -70.68 -30.41 66.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.298 178.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 17' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -63.33 -16.57 60.81 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.457 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 18' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 -68.36 -19.2 64.62 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 120.938 0.399 . . . . 0.0 110.33 178.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 19' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -104.36 -0.43 28.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.228 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 20' ' ' CYS . . . . . 0.417 ' HA ' ' CB ' ' L' ' 24' ' ' PHE . 3.6 t -90.09 -175.53 4.58 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.61 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' K' K ' 21' ' ' ASN . . . . . . . . . . . . . 2.9 m120 . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.634 -0.698 . . . . 0.0 110.668 179.944 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' L' L ' 1' ' ' PHE . . . . . . . . . . . . . 48.9 t80 . . . . . 0 N--CA 1.483 1.182 0 CA-C-O 120.469 0.176 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' L' L ' 2' ' ' VAL . . . . . 0.538 ' HB ' HD11 ' C' ' 10' ' ' ILE . 11.6 m 47.0 -159.56 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 124.545 1.138 . . . . 0.0 112.72 -179.465 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' L' L ' 3' ' ' ASN . . . . . 0.429 ' CG ' ' H ' ' L' ' 4' ' ' GLN . 29.3 t30 -149.99 -167.77 2.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.867 0.365 . . . . 0.0 111.197 -178.146 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' L' L ' 4' ' ' GLN . . . . . 0.429 ' H ' ' CG ' ' L' ' 3' ' ' ASN . 29.7 tt0 -48.18 -37.83 16.71 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 123.936 0.895 . . . . 0.0 112.238 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' L' L ' 5' ' ' HIS . . . . . 0.454 ' CD2' HG21 ' C' ' 10' ' ' ILE . 54.7 t60 -57.16 -18.69 16.47 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 113.045 0.758 . . . . 0.0 113.045 -178.634 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' L' L ' 6' ' ' LEU . . . . . 0.523 HD12 HG11 ' L' ' 2' ' ' VAL . 24.1 mt -119.87 -20.47 7.54 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.197 0.523 . . . . 0.0 110.826 179.273 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' L' L ' 7' ' ' CYS . . . . . 0.471 ' O ' ' HG ' ' L' ' 11' ' ' LEU . 37.8 t -75.99 -44.04 41.59 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.548 179.745 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' L' L ' 8' ' ' GLY . . . . . 0.582 ' O ' HG22 ' L' ' 12' ' ' VAL . . . -61.61 -26.54 66.8 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 121.171 -0.538 . . . . 0.0 112.838 179.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' L' L ' 9' ' ' SER . . . . . 0.433 ' O ' ' HG2' ' J' ' 13' ' ' GLU . 6.6 m -58.23 -27.53 64.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.212 0.53 . . . . 0.0 111.304 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' L' L ' 10' ' ' HIS . . . . . 0.628 ' HA ' ' HG3' ' L' ' 13' ' ' GLU . 94.8 m-70 -104.17 -12.43 16.7 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.347 -178.566 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' L' L ' 11' ' ' LEU . . . . . 0.775 HD11 ' HB2' ' K' ' 7' ' ' CYS . 47.5 mt -73.69 -38.15 64.98 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 178.045 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' L' L ' 12' ' ' VAL . . . . . 0.582 HG22 ' O ' ' L' ' 8' ' ' GLY . 0.7 OUTLIER -68.16 -30.05 46.61 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-N 115.002 -0.999 . . . . 0.0 111.967 179.846 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' L' L ' 13' ' ' GLU . . . . . 0.628 ' HG3' ' HA ' ' L' ' 10' ' ' HIS . 25.9 mt-10 -57.33 -55.07 39.53 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 179.721 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' L' L ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.05 -32.54 72.1 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.057 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 15' ' ' LEU . . . . . 0.558 ' HB2' ' HA ' ' L' ' 12' ' ' VAL . 2.4 mt -53.18 -62.54 1.58 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.105 -0.498 . . . . 0.0 112.077 -179.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' L' L ' 16' ' ' TYR . . . . . 0.742 ' HB3' ' CE1' ' L' ' 24' ' ' PHE . 3.3 p90 -76.57 -16.33 59.63 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 119.967 -0.693 . . . . 0.0 110.989 -179.207 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' L' L ' 17' ' ' LEU . . . . . 0.498 ' HB2' ' O ' ' L' ' 13' ' ' GLU . 8.1 tt -68.73 -40.11 80.06 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 178.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 50.0 t -67.97 -43.19 85.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.632 178.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 19' ' ' CYS . . . . . 0.991 ' HB3' ' HB3' ' L' ' 22' ' ' ARG . 73.3 m -68.36 -36.53 79.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.489 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' L' L ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.53 -109.58 2.82 Favored Glycine 0 N--CA 1.452 -0.297 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -179.189 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 21' ' ' GLU . . . . . 0.436 ' O ' ' HD2' ' J' ' 29' ' ' LYS . 56.0 mt-10 -95.55 54.49 1.58 Allowed 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 178.153 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' L' L ' 22' ' ' ARG . . . . . 0.991 ' HB3' ' HB3' ' L' ' 19' ' ' CYS . 74.6 ttt180 -143.13 131.31 21.93 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.877 -1.056 . . . . 0.0 108.963 -178.492 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' L' L ' 23' ' ' GLY . . . . . 0.678 ' HA3' HG22 ' J' ' 27' ' ' THR . . . -83.4 170.24 48.48 Favored Glycine 0 CA--C 1.511 -0.187 0 C-N-CA 120.64 -0.79 . . . . 0.0 113.168 -178.689 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' L' L ' 24' ' ' PHE . . . . . 0.742 ' CE1' ' HB3' ' L' ' 16' ' ' TYR . 11.1 p90 -154.51 169.95 22.59 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-O 121.013 0.435 . . . . 0.0 110.463 179.639 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' L' L ' 25' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -116.14 132.67 56.59 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.267 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 26' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -129.85 118.59 21.98 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.069 0.462 . . . . 0.0 111.182 -179.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 27' ' ' THR . . . . . 0.715 HG22 ' HA3' ' J' ' 23' ' ' GLY . 6.2 p -122.85 101.76 38.92 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.313 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' L' L ' 28' ' ' PRO . . . . . 0.602 ' HD2' ' HA2' ' J' ' 23' ' ' GLY . 89.4 Cg_endo -78.68 51.36 3.76 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 122.796 2.331 . . . . 0.0 111.73 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' L' L ' 29' ' ' LYS . . . . . 0.491 ' HD2' ' O ' ' J' ' 21' ' ' GLU . 62.6 tttm . . . . . 0 C--N 1.321 -0.648 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.694 -179.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.681 0 N-CA-C 111.709 -0.556 . . . . 0.0 111.709 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.465 HD11 HD11 ' B' ' 15' ' ' LEU . 3.5 tt -60.57 -50.51 80.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.861 0.362 . . . . 0.0 111.726 -179.375 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.59 HG21 ' HA ' ' B' ' 28' ' ' PRO . 18.6 t -69.4 -19.5 23.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.405 0.621 . . . . 0.0 110.443 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -80.88 -60.3 2.35 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.97 179.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -58.87 -52.77 64.32 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.61 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 83.3 m -69.2 -2.04 9.45 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 113.65 0.982 . . . . 0.0 113.65 -178.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 25.1 t -117.64 -28.55 5.99 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.257 -0.577 . . . . 0.0 110.965 179.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.495 ' O ' HG21 ' F' ' 2' ' ' VAL . 26.8 p -82.94 -23.34 33.52 Favored 'General case' 0 C--N 1.328 -0.33 0 O-C-N 122.281 -0.262 . . . . 0.0 111.082 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.94 ' HA ' HG11 ' F' ' 2' ' ' VAL . 18.5 m -146.72 -5.62 0.54 Allowed 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.977 -0.289 . . . . 0.0 111.586 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.763 HD13 ' HB ' ' F' ' 2' ' ' VAL . 1.9 mp 67.36 135.23 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 CA-C-O 121.599 0.714 . . . . 0.0 111.313 179.483 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 57.6 m -97.37 154.09 17.67 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.397 -178.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.9 m -88.77 178.73 6.38 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.507 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.513 HD12 HG13 ' B' ' 18' ' ' VAL . 59.9 tp -51.17 -60.07 3.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.382 -179.164 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -64.75 -33.99 77.28 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -178.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -60.9 -45.36 94.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.134 179.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.512 HD12 HG21 ' B' ' 18' ' ' VAL . 88.2 mt -66.14 -37.48 85.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.743 -179.513 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.569 ' HA ' ' SG ' ' A' ' 20' ' ' CYS . 37.2 tt0 -59.35 -21.4 59.76 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 120.932 0.396 . . . . 0.0 111.679 -179.099 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -70.25 -12.39 61.56 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.2 179.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.417 ' CE2' ' HB ' ' A' ' 2' ' ' ILE . 83.2 m-85 -107.07 6.44 28.94 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -178.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.569 ' SG ' ' HA ' ' A' ' 17' ' ' GLU . 63.8 m -71.29 140.81 50.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.007 0.432 . . . . 0.0 110.045 179.258 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 . . . . . 0 C--O 1.251 1.132 0 CA-C-O 118.429 -0.796 . . . . 0.0 110.097 -179.745 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.482 1.16 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . 0.91 HG11 ' HA ' ' I' ' 9' ' ' SER . 20.7 m -91.69 88.88 2.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 121.852 0.834 . . . . 0.0 110.537 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -171.32 -43.09 0.02 OUTLIER 'General case' 0 C--O 1.219 -0.548 0 CA-C-N 115.029 -0.987 . . . . 0.0 108.559 -179.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . 0.492 ' HA ' ' HB3' ' B' ' 7' ' ' CYS . 52.6 tt0 -55.61 -36.1 66.58 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.653 179.072 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -64.91 -20.85 66.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.505 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 33.9 mt -105.75 -23.77 12.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.655 0.741 . . . . 0.0 110.106 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . 0.544 ' SG ' HD21 ' B' ' 11' ' ' LEU . 0.0 OUTLIER -79.5 -44.93 20.3 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 114.805 -1.089 . . . . 0.0 111.102 -178.891 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . 0.607 ' HA2' ' HG ' ' B' ' 11' ' ' LEU . . . -58.1 -28.28 61.02 Favored Glycine 0 N--CA 1.452 -0.265 0 CA-C-N 115.988 -0.551 . . . . 0.0 114.125 -179.318 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . 0.523 ' HB2' ' HG2' ' D' ' 13' ' ' GLU . 13.9 p -67.42 -12.88 61.34 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 117.005 0.402 . . . . 0.0 111.426 -179.559 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -109.77 -18.14 13.51 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.829 -0.348 . . . . 0.0 111.413 -179.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.607 ' HG ' ' HA2' ' B' ' 8' ' ' GLY . 3.0 mt -72.55 -32.91 66.44 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 178.101 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.507 ' HA ' HD12 ' B' ' 15' ' ' LEU . 2.6 m -65.41 -37.22 79.54 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.098 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.567 179.277 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.586 ' HA ' ' CE2' ' B' ' 16' ' ' TYR . 21.6 mt-10 -61.92 -41.12 97.56 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 179.612 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.07 -33.36 65.6 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.639 178.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.507 HD12 ' HA ' ' B' ' 12' ' ' VAL . 16.3 mt -57.79 -57.7 11.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.212 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . 0.701 ' HB2' ' HG3' ' D' ' 28' ' ' PRO . 3.8 p90 -63.47 -26.03 68.54 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.673 -179.155 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.478 HD23 HD23 ' H' ' 17' ' ' LEU . 49.0 tp -72.91 -45.67 56.85 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.175 179.474 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.513 HG13 HD12 ' A' ' 13' ' ' LEU . 42.4 t -65.07 -42.89 95.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.013 179.111 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . 0.763 ' HB3' ' HB2' ' B' ' 22' ' ' ARG . 79.8 m -67.62 -20.71 65.38 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.282 179.083 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.66 63.93 3.61 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.347 179.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 72.65 -2.56 2.62 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 123.454 0.702 . . . . 0.0 111.751 -179.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . 0.763 ' HB2' ' HB3' ' B' ' 19' ' ' CYS . 75.9 mtm180 -79.32 147.46 32.44 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 177.239 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . 0.784 ' HA2' ' HD2' ' D' ' 28' ' ' PRO . . . -75.13 -178.84 42.68 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.338 -0.934 . . . . 0.0 112.742 -179.402 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . 0.551 ' HE2' ' HB3' ' B' ' 16' ' ' TYR . 23.3 p90 -167.35 166.48 14.54 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 179.688 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 11.1 p90 -107.92 126.8 53.12 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 178.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.553 ' CE1' HG22 ' A' ' 3' ' ' VAL . 83.6 t80 -119.63 110.07 16.42 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.937 0.399 . . . . 0.0 110.819 -179.21 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . 0.654 HG22 ' HA3' ' D' ' 23' ' ' GLY . 5.3 p -118.63 96.17 49.69 Favored Pre-proline 0 C--N 1.316 -0.851 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.677 179.309 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . 0.78 ' HD2' ' HA2' ' D' ' 23' ' ' GLY . 42.2 Cg_endo -68.72 59.14 1.14 Allowed 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 123.215 2.61 . . . . 0.0 112.92 -179.023 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.557 ' HG2' ' H ' ' B' ' 30' ' ' THR . 66.8 tttt -158.73 -162.63 1.12 Allowed 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' THR . . . . . 0.557 ' H ' ' HG2' ' B' ' 29' ' ' LYS . 13.2 t . . . . . 0 C--O 1.252 1.187 0 CA-C-O 117.838 -1.077 . . . . 0.0 108.683 178.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.013 0 N-CA-C 112.04 -0.424 . . . . 0.0 112.04 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 2' ' ' ILE . . . . . 0.446 HD11 HD11 ' D' ' 15' ' ' LEU . 3.6 tt -60.4 -50.22 81.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 3' ' ' VAL . . . . . 0.601 HG21 ' HA ' ' D' ' 28' ' ' PRO . 19.9 t -69.36 -20.2 23.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.621 0.724 . . . . 0.0 110.704 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -80.51 -60.72 2.21 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.084 179.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -58.62 -52.88 63.78 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.706 -0.679 . . . . 0.0 112.434 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 78.8 m -68.62 -2.05 8.18 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.661 0.985 . . . . 0.0 113.661 -178.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 7' ' ' CYS . . . . . . . . . . . . . 26.4 t -117.71 -28.82 5.89 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.108 -0.637 . . . . 0.0 111.029 179.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 8' ' ' THR . . . . . 0.478 ' O ' HG21 ' L' ' 2' ' ' VAL . 28.6 p -82.49 -22.52 35.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.74 0.305 . . . . 0.0 111.314 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 9' ' ' SER . . . . . 0.951 ' HA ' HG11 ' L' ' 2' ' ' VAL . 30.6 m -147.9 -6.09 0.45 Allowed 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.608 -179.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . 0.792 HD13 ' HB ' ' L' ' 2' ' ' VAL . 1.9 mp 67.92 135.03 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 CA-C-O 121.554 0.692 . . . . 0.0 111.367 179.071 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 56.8 m -96.79 154.53 17.23 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.383 -178.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 40.9 m -89.14 179.29 6.17 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.477 179.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 13' ' ' LEU . . . . . 0.503 HD12 HG13 ' D' ' 18' ' ' VAL . 59.9 tp -51.72 -59.38 4.36 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 112.513 0.561 . . . . 0.0 112.513 -179.158 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -65.58 -32.7 74.42 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 111.887 0.328 . . . . 0.0 111.887 -178.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -62.11 -44.91 95.62 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.777 0.323 . . . . 0.0 111.166 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 16' ' ' LEU . . . . . 0.481 HD12 HG21 ' D' ' 18' ' ' VAL . 88.9 mt -66.75 -36.5 82.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.857 -179.309 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 17' ' ' GLU . . . . . 0.549 ' HA ' ' SG ' ' C' ' 20' ' ' CYS . 36.0 tt0 -59.98 -21.51 61.35 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.547 -179.256 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -70.68 -11.47 60.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.156 179.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -107.91 7.22 27.92 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -179.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 20' ' ' CYS . . . . . 0.549 ' SG ' ' HA ' ' C' ' 17' ' ' GLU . 64.9 m -71.79 142.59 49.69 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.805 -0.442 . . . . 0.0 109.805 179.074 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.311 -0.852 . . . . 0.0 110.011 -179.868 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.479 0.989 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 2' ' ' VAL . . . . . 0.916 HG11 ' HA ' ' G' ' 9' ' ' SER . 22.8 m -91.94 88.24 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.89 0.852 . . . . 0.0 110.759 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 3' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -170.86 -43.45 0.02 OUTLIER 'General case' 0 C--O 1.219 -0.523 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 4' ' ' GLN . . . . . 0.495 ' HA ' ' HB3' ' D' ' 7' ' ' CYS . 51.3 tt0 -55.12 -35.77 65.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.722 179.014 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 5' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -65.33 -19.96 66.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.448 179.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 35.9 mt -106.35 -24.47 12.25 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.637 0.732 . . . . 0.0 109.919 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 7' ' ' CYS . . . . . 0.545 ' SG ' HD21 ' D' ' 11' ' ' LEU . 0.0 OUTLIER -78.63 -44.24 24.36 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 114.86 -1.063 . . . . 0.0 111.297 -179.042 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 8' ' ' GLY . . . . . 0.582 ' HA2' ' HG ' ' D' ' 11' ' ' LEU . . . -58.68 -28.54 62.94 Favored Glycine 0 N--CA 1.451 -0.305 0 CA-C-N 115.911 -0.586 . . . . 0.0 114.076 -179.264 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 9' ' ' SER . . . . . 0.531 ' HB3' ' OH ' ' B' ' 16' ' ' TYR . 13.0 p -67.32 -12.58 60.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.003 0.43 . . . . 0.0 111.625 -179.59 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 10' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -109.82 -18.72 13.36 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.784 -0.366 . . . . 0.0 111.389 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 11' ' ' LEU . . . . . 0.582 ' HG ' ' HA2' ' D' ' 8' ' ' GLY . 3.1 mt -72.26 -32.68 66.88 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.315 -0.995 . . . . 0.0 108.315 178.089 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 12' ' ' VAL . . . . . 0.524 ' HA ' HD12 ' D' ' 15' ' ' LEU . 2.4 m -65.66 -37.26 79.56 Favored 'Isoleucine or valine' 0 C--O 1.231 0.091 0 CA-C-N 115.351 -0.841 . . . . 0.0 111.574 179.289 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 13' ' ' GLU . . . . . 0.596 ' HA ' ' CE2' ' D' ' 16' ' ' TYR . 21.5 mt-10 -61.85 -40.86 96.79 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 121.506 0.669 . . . . 0.0 109.239 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.13 -33.28 65.43 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.364 -0.834 . . . . 0.0 110.707 178.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 15' ' ' LEU . . . . . 0.524 HD12 ' HA ' ' D' ' 12' ' ' VAL . 16.6 mt -58.18 -57.81 11.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.015 -0.538 . . . . 0.0 112.208 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 16' ' ' TYR . . . . . 0.675 ' HB2' ' HG3' ' B' ' 28' ' ' PRO . 4.2 p90 -63.45 -25.12 68.12 Favored 'General case' 0 C--O 1.235 0.294 0 C-N-CA 120.325 -0.55 . . . . 0.0 110.708 -178.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . 0.495 HD23 HD23 ' J' ' 17' ' ' LEU . 49.2 tp -73.45 -46.36 48.82 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.033 179.557 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . 0.503 HG13 HD12 ' C' ' 13' ' ' LEU . 43.0 t -64.44 -43.66 96.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.062 179.039 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 19' ' ' CYS . . . . . 0.775 ' HB3' ' HB2' ' D' ' 22' ' ' ARG . 79.0 m -66.82 -20.53 65.95 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.393 178.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.26 63.62 3.85 Favored Glycine 0 C--N 1.331 0.297 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.364 179.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 73.29 -3.74 2.38 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 123.475 0.71 . . . . 0.0 111.806 -179.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 22' ' ' ARG . . . . . 0.775 ' HB2' ' HB3' ' D' ' 19' ' ' CYS . 77.1 mtm180 -78.0 147.84 34.66 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 177.041 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 23' ' ' GLY . . . . . 0.78 ' HA2' ' HD2' ' B' ' 28' ' ' PRO . . . -75.73 -179.02 44.6 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.436 -0.888 . . . . 0.0 112.614 -179.183 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 24' ' ' PHE . . . . . 0.541 ' HE2' ' HB3' ' D' ' 16' ' ' TYR . 24.8 p90 -167.15 166.46 14.98 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 179.606 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 25' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -107.82 126.73 53.0 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 178.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 26' ' ' TYR . . . . . 0.557 ' CE1' HG22 ' C' ' 3' ' ' VAL . 83.3 t80 -119.54 110.36 16.8 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.113 0.482 . . . . 0.0 110.793 -179.274 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 27' ' ' THR . . . . . 0.664 HG22 ' HA3' ' B' ' 23' ' ' GLY . 5.7 p -118.92 96.4 50.1 Favored Pre-proline 0 C--N 1.316 -0.854 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.521 179.312 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 28' ' ' PRO . . . . . 0.784 ' HD2' ' HA2' ' B' ' 23' ' ' GLY . 41.1 Cg_endo -68.66 58.34 1.08 Allowed 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 123.188 2.592 . . . . 0.0 112.871 -178.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 29' ' ' LYS . . . . . 0.558 ' HG2' ' H ' ' D' ' 30' ' ' THR . 68.2 tttt -159.4 -165.64 1.61 Allowed 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 107.71 -1.218 . . . . 0.0 107.71 -179.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 30' ' ' THR . . . . . 0.558 ' H ' ' HG2' ' D' ' 29' ' ' LYS . 14.6 t . . . . . 0 C--O 1.253 1.266 0 CA-C-O 118.043 -0.979 . . . . 0.0 108.706 178.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.632 0 N-CA-C 112.231 -0.348 . . . . 0.0 112.231 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' E' E ' 2' ' ' ILE . . . . . 0.471 HD11 HD11 ' F' ' 15' ' ' LEU . 3.3 tt -58.83 -49.69 82.05 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -179.049 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 3' ' ' VAL . . . . . 0.594 HG21 ' HA ' ' F' ' 28' ' ' PRO . 19.8 t -70.05 -19.93 22.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.201 0.524 . . . . 0.0 110.524 -179.524 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 4' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -81.49 -59.5 2.6 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.094 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -59.19 -53.15 61.56 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.808 -0.633 . . . . 0.0 112.319 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 6' ' ' CYS . . . . . 0.408 ' O ' ' HA ' ' E' ' 10' ' ' ILE . 81.0 m -68.39 -3.3 10.72 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 113.501 0.926 . . . . 0.0 113.501 -177.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 7' ' ' CYS . . . . . . . . . . . . . 25.4 t -116.63 -27.78 6.59 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.204 -0.598 . . . . 0.0 111.124 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 8' ' ' THR . . . . . 0.498 ' O ' HG21 ' J' ' 2' ' ' VAL . 30.7 p -83.62 -22.91 32.07 Favored 'General case' 0 C--N 1.331 -0.228 0 O-C-N 122.183 -0.323 . . . . 0.0 111.186 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 9' ' ' SER . . . . . 0.962 ' HA ' HG11 ' J' ' 2' ' ' VAL . 19.7 m -147.09 -6.05 0.5 Allowed 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 111.772 0.286 . . . . 0.0 111.772 -179.653 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 10' ' ' ILE . . . . . 0.79 HD13 ' HB ' ' J' ' 2' ' ' VAL . 1.9 mp 67.86 135.97 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.468 0 O-C-N 123.628 0.58 . . . . 0.0 111.291 179.237 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 11' ' ' CYS . . . . . . . . . . . . . 56.7 m -98.32 153.71 18.34 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.018 0.437 . . . . 0.0 111.442 -178.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 12' ' ' SER . . . . . . . . . . . . . 25.5 m -88.22 179.28 6.4 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.546 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 13' ' ' LEU . . . . . 0.528 HD12 HG13 ' F' ' 18' ' ' VAL . 59.8 tp -51.64 -59.56 4.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.87 -0.605 . . . . 0.0 112.469 -179.314 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -65.82 -31.96 73.21 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -178.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -62.89 -44.5 95.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.76 0.314 . . . . 0.0 110.932 179.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 16' ' ' LEU . . . . . 0.481 HD12 HG21 ' F' ' 18' ' ' VAL . 89.9 mt -66.81 -36.95 83.56 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.888 -179.596 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 17' ' ' GLU . . . . . 0.544 ' HA ' ' SG ' ' E' ' 20' ' ' CYS . 38.0 tt0 -59.53 -22.01 61.06 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 120.888 0.375 . . . . 0.0 111.561 -179.008 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 18' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -69.45 -13.52 62.4 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.643 0.259 . . . . 0.0 111.12 179.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 19' ' ' TYR . . . . . 0.424 ' CE2' ' HB ' ' E' ' 2' ' ' ILE . 82.1 m-85 -105.67 5.68 31.32 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -178.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 20' ' ' CYS . . . . . 0.544 ' SG ' ' HA ' ' E' ' 17' ' ' GLU . 64.1 m -70.34 142.11 52.2 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 178.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 21' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.494 -0.765 . . . . 0.0 110.15 -179.747 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' F' F ' 1' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.48 1.052 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 2' ' ' VAL . . . . . 0.94 HG11 ' HA ' ' A' ' 9' ' ' SER . 22.7 m -90.38 86.99 2.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.917 0.865 . . . . 0.0 110.86 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 3' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 -169.55 -43.44 0.02 OUTLIER 'General case' 0 C--O 1.218 -0.586 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -179.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 4' ' ' GLN . . . . . 0.488 ' HA ' ' HB3' ' F' ' 7' ' ' CYS . 51.6 tt0 -55.41 -35.57 65.5 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.908 179.222 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 5' ' ' HIS . . . . . . . . . . . . . 75.5 t60 -65.27 -20.36 66.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.419 179.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 6' ' ' LEU . . . . . . . . . . . . . 35.5 mt -105.91 -24.89 12.34 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.634 0.73 . . . . 0.0 109.993 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 7' ' ' CYS . . . . . 0.545 ' SG ' HD21 ' F' ' 11' ' ' LEU . 0.0 OUTLIER -78.37 -44.66 24.46 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 114.742 -1.117 . . . . 0.0 111.276 -178.935 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' F' F ' 8' ' ' GLY . . . . . 0.583 ' HA2' ' HG ' ' F' ' 11' ' ' LEU . . . -58.25 -28.23 61.35 Favored Glycine 0 N--CA 1.45 -0.409 0 CA-C-N 115.967 -0.561 . . . . 0.0 114.069 -179.313 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 9' ' ' SER . . . . . 0.528 ' HB3' ' OH ' ' H' ' 16' ' ' TYR . 14.2 p -67.72 -12.39 60.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.022 0.439 . . . . 0.0 111.552 -179.471 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 10' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -109.75 -18.79 13.36 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.285 -179.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 11' ' ' LEU . . . . . 0.583 ' HG ' ' HA2' ' F' ' 8' ' ' GLY . 3.0 mt -72.42 -32.58 66.46 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 178.286 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 12' ' ' VAL . . . . . 0.522 ' HA ' HD12 ' F' ' 15' ' ' LEU . 2.6 m -65.54 -37.26 79.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.499 179.154 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 13' ' ' GLU . . . . . 0.588 ' HA ' ' CE2' ' F' ' 16' ' ' TYR . 21.3 mt-10 -61.94 -40.73 96.54 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 121.506 0.669 . . . . 0.0 109.388 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.53 -33.07 64.55 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.492 178.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 15' ' ' LEU . . . . . 0.522 HD12 ' HA ' ' F' ' 12' ' ' VAL . 16.0 mt -58.38 -57.47 12.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.072 -0.513 . . . . 0.0 112.154 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 16' ' ' TYR . . . . . 0.702 ' HB2' ' HG3' ' H' ' 28' ' ' PRO . 3.9 p90 -63.91 -24.97 67.94 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 120.437 -0.505 . . . . 0.0 110.761 -178.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 17' ' ' LEU . . . . . 0.475 HD23 HD23 ' L' ' 17' ' ' LEU . 50.8 tp -73.76 -46.16 47.47 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.874 179.561 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . 0.528 HG13 HD12 ' E' ' 13' ' ' LEU . 43.3 t -64.24 -44.34 97.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.903 179.041 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 19' ' ' CYS . . . . . 0.768 ' HB3' ' HB2' ' F' ' 22' ' ' ARG . 84.1 m -66.27 -20.53 66.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.393 179.046 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 20' ' ' GLY . . . . . 0.403 ' O ' ' HB2' ' F' ' 21' ' ' GLU . . . 66.58 62.14 4.8 Favored Glycine 0 C--N 1.33 0.205 0 C-N-CA 121.014 -0.612 . . . . 0.0 112.563 179.108 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 21' ' ' GLU . . . . . 0.403 ' HB2' ' O ' ' F' ' 20' ' ' GLY . 68.9 mt-10 75.17 -4.39 2.39 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.68 0.792 . . . . 0.0 111.583 -179.419 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 22' ' ' ARG . . . . . 0.768 ' HB2' ' HB3' ' F' ' 19' ' ' CYS . 76.5 mtm180 -77.41 147.97 35.74 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 177.233 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 23' ' ' GLY . . . . . 0.772 ' HA2' ' HD2' ' H' ' 28' ' ' PRO . . . -76.46 179.93 48.01 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.424 -0.893 . . . . 0.0 112.517 -179.132 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 24' ' ' PHE . . . . . 0.558 ' HE2' ' HB3' ' F' ' 16' ' ' TYR . 24.6 p90 -165.91 167.58 16.59 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 179.48 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 25' ' ' PHE . . . . . . . . . . . . . 11.1 p90 -108.92 126.62 53.27 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 178.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 26' ' ' TYR . . . . . 0.548 ' CE1' HG22 ' E' ' 3' ' ' VAL . 83.7 t80 -119.36 110.5 17.03 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.889 0.376 . . . . 0.0 110.816 -179.094 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 27' ' ' THR . . . . . 0.674 HG22 ' HA3' ' H' ' 23' ' ' GLY . 6.2 p -119.09 96.27 49.98 Favored Pre-proline 0 C--N 1.316 -0.883 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 179.165 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 28' ' ' PRO . . . . . 0.76 ' HD2' ' HA2' ' H' ' 23' ' ' GLY . 42.0 Cg_endo -68.48 58.46 1.03 Allowed 'Trans proline' 0 C--N 1.352 0.743 0 C-N-CA 123.346 2.698 . . . . 0.0 112.783 -178.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 29' ' ' LYS . . . . . 0.557 ' HG2' ' H ' ' F' ' 30' ' ' THR . 66.5 tttt -158.62 -163.66 1.3 Allowed 'General case' 0 N--CA 1.444 -0.756 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 -179.743 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 30' ' ' THR . . . . . 0.557 ' H ' ' HG2' ' F' ' 29' ' ' LYS . 13.3 t . . . . . 0 C--O 1.25 1.129 0 CA-C-O 118.141 -0.933 . . . . 0.0 109.185 179.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.232 0 N-CA-C 111.735 -0.546 . . . . 0.0 111.735 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' G' G ' 2' ' ' ILE . . . . . 0.45 HD11 HD11 ' H' ' 15' ' ' LEU . 3.7 tt -58.96 -50.6 79.07 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 3' ' ' VAL . . . . . 0.59 HG21 ' HA ' ' H' ' 28' ' ' PRO . 18.7 t -69.43 -20.21 23.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.463 0.649 . . . . 0.0 110.835 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 4' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -80.3 -61.08 2.09 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.008 179.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 5' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -57.87 -53.32 59.6 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.636 -0.711 . . . . 0.0 112.606 -179.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 6' ' ' CYS . . . . . . . . . . . . . 82.8 m -68.55 -2.72 9.49 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 -178.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 7' ' ' CYS . . . . . . . . . . . . . 24.8 t -116.88 -28.3 6.34 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.26 -0.576 . . . . 0.0 110.994 179.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 8' ' ' THR . . . . . 0.495 ' O ' HG21 ' D' ' 2' ' ' VAL . 31.2 p -82.82 -23.32 33.84 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.935 -0.306 . . . . 0.0 111.218 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 9' ' ' SER . . . . . 0.916 ' HA ' HG11 ' D' ' 2' ' ' VAL . 20.2 m -146.82 -7.03 0.5 Allowed 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.676 -179.626 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 10' ' ' ILE . . . . . 0.799 HD13 ' HB ' ' D' ' 2' ' ' VAL . 1.9 mp 68.44 133.94 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 CA-C-O 121.575 0.702 . . . . 0.0 111.443 179.277 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 11' ' ' CYS . . . . . . . . . . . . . 54.0 m -96.29 153.6 17.72 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.621 -178.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 12' ' ' SER . . . . . . . . . . . . . 19.9 m -89.0 178.09 6.49 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.447 179.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 13' ' ' LEU . . . . . 0.499 HD12 HG13 ' H' ' 18' ' ' VAL . 57.7 tp -50.2 -60.13 3.27 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 123.15 0.58 . . . . 0.0 112.542 -179.276 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -64.93 -32.29 73.93 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 -178.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -63.22 -44.53 95.03 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.77 0.319 . . . . 0.0 111.09 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 16' ' ' LEU . . . . . 0.485 HD12 HG21 ' H' ' 18' ' ' VAL . 89.1 mt -66.86 -35.95 81.21 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.882 -179.509 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 17' ' ' GLU . . . . . 0.555 ' HA ' ' SG ' ' G' ' 20' ' ' CYS . 37.1 tt0 -60.56 -21.19 62.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.966 0.412 . . . . 0.0 111.618 -179.136 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 18' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -71.11 -11.94 61.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.746 0.308 . . . . 0.0 111.244 179.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 19' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -106.99 7.31 29.8 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 -179.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 20' ' ' CYS . . . . . 0.555 ' SG ' ' HA ' ' G' ' 17' ' ' GLU . 67.1 m -71.61 143.61 49.75 Favored 'General case' 0 C--O 1.236 0.384 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 178.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 21' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.494 -0.765 . . . . 0.0 110.339 -179.52 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' H' H ' 1' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.478 0.966 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 2' ' ' VAL . . . . . 0.957 HG11 ' HA ' ' K' ' 9' ' ' SER . 21.0 m -90.61 88.33 2.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.69 0.757 . . . . 0.0 110.593 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 3' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -170.44 -43.98 0.02 OUTLIER 'General case' 0 C--O 1.218 -0.554 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 -179.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 4' ' ' GLN . . . . . 0.494 ' HA ' ' HB3' ' H' ' 7' ' ' CYS . 51.7 tt0 -55.11 -35.91 65.15 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.676 178.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 5' ' ' HIS . . . . . . . . . . . . . 76.4 t60 -65.48 -19.72 66.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.475 179.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 6' ' ' LEU . . . . . . . . . . . . . 35.5 mt -106.67 -23.75 12.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.602 0.715 . . . . 0.0 109.981 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 7' ' ' CYS . . . . . 0.548 ' SG ' HD21 ' H' ' 11' ' ' LEU . 0.0 OUTLIER -79.45 -44.6 21.02 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 114.87 -1.059 . . . . 0.0 111.229 -178.796 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' H' H ' 8' ' ' GLY . . . . . 0.573 ' HA2' ' HG ' ' H' ' 11' ' ' LEU . . . -58.32 -28.48 61.88 Favored Glycine 0 N--CA 1.451 -0.327 0 CA-C-N 116.049 -0.523 . . . . 0.0 114.141 -179.399 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 9' ' ' SER . . . . . 0.533 ' HB3' ' OH ' ' F' ' 16' ' ' TYR . 13.3 p -67.33 -12.45 60.2 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.945 0.402 . . . . 0.0 111.46 -179.382 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 10' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -109.89 -18.59 13.36 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.705 0.288 . . . . 0.0 111.454 -179.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 11' ' ' LEU . . . . . 0.573 ' HG ' ' HA2' ' H' ' 8' ' ' GLY . 3.2 mt -72.64 -32.9 66.24 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 178.229 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 12' ' ' VAL . . . . . 0.53 ' HA ' HD12 ' H' ' 15' ' ' LEU . 2.4 m -65.24 -37.42 80.12 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.498 179.297 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 13' ' ' GLU . . . . . 0.59 ' HA ' ' CE2' ' H' ' 16' ' ' TYR . 20.9 mt-10 -61.74 -41.08 97.19 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.507 0.67 . . . . 0.0 109.376 179.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.08 -33.56 65.7 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.545 178.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 15' ' ' LEU . . . . . 0.53 HD12 ' HA ' ' H' ' 12' ' ' VAL . 16.7 mt -57.95 -57.68 11.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.209 -179.63 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 16' ' ' TYR . . . . . 0.705 ' HB2' ' HG3' ' F' ' 28' ' ' PRO . 4.0 p90 -63.63 -25.46 68.23 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 120.467 -0.493 . . . . 0.0 110.527 -179.074 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 17' ' ' LEU . . . . . 0.478 HD23 HD23 ' B' ' 17' ' ' LEU . 50.4 tp -73.2 -45.98 53.15 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.894 -0.593 . . . . 0.0 109.918 179.554 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . 0.499 HG13 HD12 ' G' ' 13' ' ' LEU . 42.5 t -65.02 -42.97 96.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.043 179.119 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 19' ' ' CYS . . . . . 0.732 ' HB3' ' HB2' ' H' ' 22' ' ' ARG . 81.2 m -68.13 -18.36 64.61 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.277 179.131 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.48 63.65 4.14 Favored Glycine 0 C--N 1.331 0.261 0 C-N-CA 120.969 -0.634 . . . . 0.0 112.445 179.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 21' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 73.18 -2.99 2.56 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 123.424 0.69 . . . . 0.0 111.819 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 22' ' ' ARG . . . . . 0.732 ' HB2' ' HB3' ' H' ' 19' ' ' CYS . 76.6 mtm180 -78.85 148.24 32.89 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 107.842 -1.169 . . . . 0.0 107.842 177.057 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 23' ' ' GLY . . . . . 0.76 ' HA2' ' HD2' ' F' ' 28' ' ' PRO . . . -75.94 -178.67 44.58 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.227 -0.987 . . . . 0.0 112.804 -179.155 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 24' ' ' PHE . . . . . 0.547 ' HE2' ' HB3' ' H' ' 16' ' ' TYR . 24.6 p90 -167.28 167.37 14.13 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 179.512 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 25' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -109.07 126.65 53.39 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 178.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 26' ' ' TYR . . . . . 0.553 ' CE1' HG22 ' G' ' 3' ' ' VAL . 83.0 t80 -119.45 110.87 17.42 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.962 0.41 . . . . 0.0 110.821 -179.171 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 27' ' ' THR . . . . . 0.669 HG22 ' HA3' ' F' ' 23' ' ' GLY . 3.3 p -119.54 95.83 49.43 Favored Pre-proline 0 C--N 1.316 -0.89 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.514 179.426 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 28' ' ' PRO . . . . . 0.772 ' HD2' ' HA2' ' F' ' 23' ' ' GLY . 38.5 Cg_endo -68.21 57.95 0.92 Allowed 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 123.354 2.703 . . . . 0.0 112.974 -178.705 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 29' ' ' LYS . . . . . 0.545 ' HG2' ' H ' ' H' ' 30' ' ' THR . 65.4 tttt -157.96 -163.58 1.35 Allowed 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.653 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 30' ' ' THR . . . . . 0.545 ' H ' ' HG2' ' H' ' 29' ' ' LYS . 13.2 t . . . . . 0 C--O 1.254 1.311 0 CA-C-O 118.077 -0.963 . . . . 0.0 108.852 178.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.753 0 N-CA-C 111.79 -0.524 . . . . 0.0 111.79 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' I' I ' 2' ' ' ILE . . . . . 0.462 HD11 HD11 ' J' ' 15' ' ' LEU . 3.8 tt -57.35 -50.8 75.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -179.48 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 3' ' ' VAL . . . . . 0.59 HG21 ' HA ' ' J' ' 28' ' ' PRO . 18.9 t -69.24 -19.95 23.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.463 0.649 . . . . 0.0 110.715 -179.646 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 4' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -80.75 -60.01 2.46 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.124 179.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 5' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -58.77 -53.41 58.63 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.649 -0.705 . . . . 0.0 112.577 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 6' ' ' CYS . . . . . 0.408 ' O ' ' HA ' ' I' ' 10' ' ' ILE . 79.7 m -68.13 -3.22 9.72 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 113.596 0.961 . . . . 0.0 113.596 -177.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 7' ' ' CYS . . . . . . . . . . . . . 25.5 t -116.57 -29.23 6.19 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.241 -0.584 . . . . 0.0 110.961 179.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 8' ' ' THR . . . . . 0.481 ' O ' HG21 ' B' ' 2' ' ' VAL . 27.7 p -82.32 -23.0 35.37 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.913 -0.315 . . . . 0.0 111.399 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 9' ' ' SER . . . . . 0.91 ' HA ' HG11 ' B' ' 2' ' ' VAL . 27.8 m -146.87 -6.64 0.5 Allowed 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.987 -0.285 . . . . 0.0 111.694 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 10' ' ' ILE . . . . . 0.786 HD13 ' HB ' ' B' ' 2' ' ' VAL . 1.9 mp 68.33 136.13 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 CA-C-O 121.501 0.667 . . . . 0.0 111.322 179.358 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 11' ' ' CYS . . . . . . . . . . . . . 57.8 m -97.8 154.84 17.35 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.43 -178.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 12' ' ' SER . . . . . . . . . . . . . 24.8 m -89.46 -179.71 5.88 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.295 179.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 13' ' ' LEU . . . . . 0.488 HD12 HG13 ' J' ' 18' ' ' VAL . 60.0 tp -52.83 -58.82 5.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.041 -0.527 . . . . 0.0 112.28 -178.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -65.65 -33.48 75.99 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -178.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -61.19 -44.96 96.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.72 0.295 . . . . 0.0 111.032 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 16' ' ' LEU . . . . . 0.492 HD12 HG21 ' J' ' 18' ' ' VAL . 89.8 mt -66.79 -37.02 83.74 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.983 -179.511 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 17' ' ' GLU . . . . . 0.566 ' HA ' ' SG ' ' I' ' 20' ' ' CYS . 37.8 tt0 -59.93 -20.67 58.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.927 0.394 . . . . 0.0 111.647 -179.14 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 18' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -70.81 -13.11 61.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.989 179.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 19' ' ' TYR . . . . . 0.412 ' CE2' ' HB ' ' I' ' 2' ' ' ILE . 81.9 m-85 -106.19 6.21 30.63 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.038 0.384 . . . . 0.0 112.038 -179.028 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 20' ' ' CYS . . . . . 0.566 ' SG ' ' HA ' ' I' ' 17' ' ' GLU . 65.0 m -70.72 142.89 51.44 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 179.217 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 21' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 . . . . . 0 C--O 1.246 0.9 0 CA-C-O 118.211 -0.9 . . . . 0.0 109.911 -179.883 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' J' J ' 1' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.48 1.063 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 2' ' ' VAL . . . . . 0.962 HG11 ' HA ' ' E' ' 9' ' ' SER . 19.7 m -92.08 86.02 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.913 0.863 . . . . 0.0 110.882 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 3' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -168.14 -43.57 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 -179.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 4' ' ' GLN . . . . . 0.509 ' HA ' ' HB3' ' J' ' 7' ' ' CYS . 52.2 tt0 -54.96 -36.42 65.3 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.677 179.038 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 5' ' ' HIS . . . . . . . . . . . . . 75.2 t60 -64.67 -20.19 66.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.552 179.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 6' ' ' LEU . . . . . . . . . . . . . 35.1 mt -106.3 -24.25 12.33 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.734 0.778 . . . . 0.0 109.974 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 7' ' ' CYS . . . . . 0.539 ' SG ' HD21 ' J' ' 11' ' ' LEU . 0.0 OUTLIER -78.96 -44.35 22.65 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.711 -1.131 . . . . 0.0 111.271 -178.925 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' J' J ' 8' ' ' GLY . . . . . 0.564 ' HA2' ' HG ' ' J' ' 11' ' ' LEU . . . -58.68 -28.55 62.96 Favored Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.919 -0.582 . . . . 0.0 113.922 -179.138 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 9' ' ' SER . . . . . 0.523 ' HB3' ' OH ' ' L' ' 16' ' ' TYR . 15.8 p -67.38 -12.82 61.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 117.063 0.431 . . . . 0.0 111.4 -179.279 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 10' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -109.69 -18.11 13.54 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.926 -0.309 . . . . 0.0 111.425 -179.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 11' ' ' LEU . . . . . 0.564 ' HG ' ' HA2' ' J' ' 8' ' ' GLY . 3.3 mt -72.94 -32.56 65.35 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 178.2 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 12' ' ' VAL . . . . . 0.541 ' HA ' HD12 ' J' ' 15' ' ' LEU . 2.5 m -65.7 -37.12 79.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.444 179.127 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 13' ' ' GLU . . . . . 0.58 ' HA ' ' CE2' ' J' ' 16' ' ' TYR . 22.1 mt-10 -61.76 -41.21 97.39 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-O 121.464 0.649 . . . . 0.0 109.406 179.634 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.11 -33.1 65.36 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.7 178.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 15' ' ' LEU . . . . . 0.541 HD12 ' HA ' ' J' ' 12' ' ' VAL . 16.6 mt -58.15 -57.5 12.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.023 -0.535 . . . . 0.0 112.055 -179.65 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 16' ' ' TYR . . . . . 0.698 ' HB2' ' HG3' ' L' ' 28' ' ' PRO . 3.8 p90 -63.69 -25.51 68.24 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-O 121.18 0.514 . . . . 0.0 110.643 -179.112 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 17' ' ' LEU . . . . . 0.495 HD23 HD23 ' D' ' 17' ' ' LEU . 49.6 tp -73.33 -46.46 49.27 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.924 179.463 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 18' ' ' VAL . . . . . 0.492 HG21 HD12 ' I' ' 16' ' ' LEU . 42.9 t -64.03 -44.15 97.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.021 179.067 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 19' ' ' CYS . . . . . 0.761 ' HB3' ' HB2' ' J' ' 22' ' ' ARG . 80.8 m -66.81 -19.1 65.68 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.48 179.004 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.83 64.05 3.8 Favored Glycine 0 C--N 1.33 0.206 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.481 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 21' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 72.95 -3.57 2.38 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.205 0.602 . . . . 0.0 111.854 -179.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 22' ' ' ARG . . . . . 0.761 ' HB2' ' HB3' ' J' ' 19' ' ' CYS . 77.2 mtm180 -78.42 147.95 33.81 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 177.294 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 23' ' ' GLY . . . . . 0.796 ' HA2' ' HD2' ' L' ' 28' ' ' PRO . . . -75.76 -178.88 44.45 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.206 -0.997 . . . . 0.0 112.719 -179.191 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 24' ' ' PHE . . . . . 0.54 ' HE2' ' HB3' ' J' ' 16' ' ' TYR . 24.8 p90 -167.04 166.77 15.04 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 25' ' ' PHE . . . . . . . . . . . . . 11.0 p90 -108.38 126.24 52.65 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.387 -0.598 . . . . 0.0 109.387 178.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 26' ' ' TYR . . . . . 0.537 ' CE1' HG22 ' I' ' 3' ' ' VAL . 83.4 t80 -118.99 110.57 17.28 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.882 0.372 . . . . 0.0 110.81 -179.232 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 27' ' ' THR . . . . . 0.677 HG22 ' HA3' ' L' ' 23' ' ' GLY . 4.5 p -119.21 96.0 49.7 Favored Pre-proline 0 C--N 1.316 -0.884 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 179.521 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 28' ' ' PRO . . . . . 0.795 ' HD2' ' HA2' ' L' ' 23' ' ' GLY . 39.3 Cg_endo -68.27 58.2 0.95 Allowed 'Trans proline' 0 C--N 1.353 0.797 0 C-N-CA 123.284 2.656 . . . . 0.0 112.85 -178.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 29' ' ' LYS . . . . . 0.532 ' HG2' ' H ' ' J' ' 30' ' ' THR . 63.6 tttt -157.82 -161.51 1.04 Allowed 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 30' ' ' THR . . . . . 0.532 ' H ' ' HG2' ' J' ' 29' ' ' LYS . 12.0 t . . . . . 0 C--O 1.254 1.328 0 CA-C-O 117.616 -1.183 . . . . 0.0 108.34 179.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.325 0 N-CA-C 111.76 -0.536 . . . . 0.0 111.76 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' K' K ' 2' ' ' ILE . . . . . 0.474 HD11 HD11 ' L' ' 15' ' ' LEU . 3.5 tt -61.03 -50.89 78.71 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 CA-C-N 116.97 0.385 . . . . 0.0 111.751 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' K' K ' 3' ' ' VAL . . . . . 0.591 HG21 ' HA ' ' L' ' 28' ' ' PRO . 19.1 t -68.93 -19.73 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.498 0.666 . . . . 0.0 110.753 -179.658 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' K' K ' 4' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -80.79 -60.46 2.3 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.064 179.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 5' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -58.54 -53.3 59.84 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.672 -0.695 . . . . 0.0 112.454 -179.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 6' ' ' CYS . . . . . . . . . . . . . 84.0 m -68.47 -2.98 9.85 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -178.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 7' ' ' CYS . . . . . . . . . . . . . 24.6 t -116.55 -29.19 6.21 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.14 -0.624 . . . . 0.0 111.019 179.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 8' ' ' THR . . . . . 0.475 ' O ' HG21 ' H' ' 2' ' ' VAL . 30.5 p -82.53 -22.34 35.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.748 0.308 . . . . 0.0 111.236 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' K' K ' 9' ' ' SER . . . . . 0.957 ' HA ' HG11 ' H' ' 2' ' ' VAL . 38.1 m -147.82 -5.36 0.47 Allowed 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.672 -0.411 . . . . 0.0 111.705 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' K' K ' 10' ' ' ILE . . . . . 0.787 HD13 ' HB ' ' H' ' 2' ' ' VAL . 1.9 mp 66.91 133.29 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 CA-C-O 121.58 0.705 . . . . 0.0 111.658 179.149 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' K' K ' 11' ' ' CYS . . . . . . . . . . . . . 55.9 m -95.36 153.87 17.47 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.615 -179.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 12' ' ' SER . . . . . . . . . . . . . 26.1 m -89.75 177.54 6.49 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.51 179.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 13' ' ' LEU . . . . . 0.49 HD12 HG13 ' L' ' 18' ' ' VAL . 59.0 tp -49.21 -60.94 2.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.899 -0.591 . . . . 0.0 112.587 -178.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -64.65 -32.18 73.73 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -178.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -63.1 -44.83 94.57 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.664 0.268 . . . . 0.0 111.084 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 16' ' ' LEU . . . . . 0.491 HD12 HG21 ' L' ' 18' ' ' VAL . 89.3 mt -66.15 -36.89 84.31 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.861 -179.547 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' K' K ' 17' ' ' GLU . . . . . 0.56 ' HA ' ' SG ' ' K' ' 20' ' ' CYS . 36.4 tt0 -59.83 -21.23 60.63 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.602 -179.086 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' K' K ' 18' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -70.66 -11.4 60.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.176 179.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 19' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -107.51 6.01 27.67 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -178.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 20' ' ' CYS . . . . . 0.56 ' SG ' ' HA ' ' K' ' 17' ' ' GLU . 65.1 m -70.72 142.23 51.48 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 179.261 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' K' K ' 21' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 . . . . . 0 C--O 1.246 0.898 0 CA-C-O 118.234 -0.888 . . . . 0.0 109.745 -179.902 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' L' L ' 1' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.481 1.095 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 2' ' ' VAL . . . . . 0.951 HG11 ' HA ' ' C' ' 9' ' ' SER . 20.9 m -90.88 87.07 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.797 0.808 . . . . 0.0 110.87 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 3' ' ' ASN . . . . . . . . . . . . . 30.3 t-20 -169.48 -43.49 0.02 OUTLIER 'General case' 0 CA--C 1.512 -0.487 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -179.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 4' ' ' GLN . . . . . 0.5 ' HA ' ' HB3' ' L' ' 7' ' ' CYS . 51.3 tt0 -55.71 -35.6 66.26 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.718 179.298 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 5' ' ' HIS . . . . . . . . . . . . . 75.2 t60 -65.1 -20.52 66.51 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.518 179.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 6' ' ' LEU . . . . . . . . . . . . . 36.0 mt -105.61 -24.92 12.46 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.696 0.76 . . . . 0.0 109.911 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 7' ' ' CYS . . . . . 0.539 ' SG ' HD21 ' L' ' 11' ' ' LEU . 0.0 OUTLIER -78.32 -44.64 24.69 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 114.725 -1.125 . . . . 0.0 111.297 -178.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' L' L ' 8' ' ' GLY . . . . . 0.589 ' HA2' ' HG ' ' L' ' 11' ' ' LEU . . . -58.15 -28.68 61.66 Favored Glycine 0 N--CA 1.45 -0.404 0 CA-C-N 116.036 -0.529 . . . . 0.0 114.121 -179.441 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 9' ' ' SER . . . . . 0.533 ' HB3' ' OH ' ' J' ' 16' ' ' TYR . 13.2 p -67.26 -12.63 60.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.923 0.392 . . . . 0.0 111.543 -179.43 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 10' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -109.68 -18.89 13.36 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.349 -179.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 11' ' ' LEU . . . . . 0.589 ' HG ' ' HA2' ' L' ' 8' ' ' GLY . 3.0 mt -72.31 -32.65 66.74 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 178.409 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 12' ' ' VAL . . . . . 0.513 ' HA ' HD12 ' L' ' 15' ' ' LEU . 2.5 m -65.59 -37.13 79.28 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-N 115.293 -0.867 . . . . 0.0 111.523 179.227 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 13' ' ' GLU . . . . . 0.592 ' HA ' ' CE2' ' L' ' 16' ' ' TYR . 21.9 mt-10 -61.95 -41.07 97.56 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 121.471 0.653 . . . . 0.0 109.292 179.607 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.2 -33.2 65.24 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.586 178.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 15' ' ' LEU . . . . . 0.513 HD12 ' HA ' ' L' ' 12' ' ' VAL . 16.4 mt -58.16 -57.5 12.57 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.237 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 16' ' ' TYR . . . . . 0.68 ' HB2' ' HG3' ' J' ' 28' ' ' PRO . 4.2 p90 -63.59 -25.6 68.31 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 120.422 -0.511 . . . . 0.0 110.641 -179.034 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 17' ' ' LEU . . . . . 0.475 HD23 HD23 ' F' ' 17' ' ' LEU . 49.4 tp -72.97 -46.89 49.8 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.948 179.495 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 18' ' ' VAL . . . . . 0.491 HG21 HD12 ' K' ' 16' ' ' LEU . 42.6 t -63.81 -42.62 96.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.392 178.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 19' ' ' CYS . . . . . 0.763 ' HB3' ' HB2' ' L' ' 22' ' ' ARG . 80.7 m -68.52 -18.83 64.45 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.312 179.183 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 20' ' ' GLY . . . . . 0.419 ' O ' ' HB2' ' L' ' 21' ' ' GLU . . . 65.1 62.65 4.75 Favored Glycine 0 C--N 1.33 0.234 0 C-N-CA 121.041 -0.6 . . . . 0.0 112.536 179.129 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 21' ' ' GLU . . . . . 0.419 ' HB2' ' O ' ' L' ' 20' ' ' GLY . 81.3 mt-10 74.34 -3.87 2.45 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.576 0.751 . . . . 0.0 111.755 -179.359 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 22' ' ' ARG . . . . . 0.763 ' HB2' ' HB3' ' L' ' 19' ' ' CYS . 77.4 mtm180 -77.78 147.65 35.19 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 177.09 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 23' ' ' GLY . . . . . 0.795 ' HA2' ' HD2' ' J' ' 28' ' ' PRO . . . -76.02 -178.79 44.99 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.126 -1.035 . . . . 0.0 112.835 -179.113 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 24' ' ' PHE . . . . . 0.538 ' HE2' ' HB3' ' L' ' 16' ' ' TYR . 25.0 p90 -166.95 167.32 14.83 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 179.683 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 25' ' ' PHE . . . . . . . . . . . . . 11.1 p90 -108.82 126.03 52.6 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 178.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 26' ' ' TYR . . . . . 0.541 ' CE1' HG22 ' K' ' 3' ' ' VAL . 83.2 t80 -119.0 110.65 17.36 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.986 0.422 . . . . 0.0 110.845 -179.14 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 27' ' ' THR . . . . . 0.672 HG22 ' HA3' ' J' ' 23' ' ' GLY . 5.1 p -118.96 95.82 49.64 Favored Pre-proline 0 C--N 1.315 -0.894 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.607 179.449 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 28' ' ' PRO . . . . . 0.796 ' HD2' ' HA2' ' J' ' 23' ' ' GLY . 41.6 Cg_endo -68.3 58.24 0.96 Allowed 'Trans proline' 0 C--N 1.353 0.781 0 C-N-CA 123.222 2.615 . . . . 0.0 113.027 -178.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 29' ' ' LYS . . . . . . . . . . . . . 66.6 tttt . . . . . 0 C--N 1.317 -0.835 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 -179.539 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . 0.469 ' O ' ' HG2' ' A' ' 5' ' ' GLN . . . . . . . . 0 N--CA 1.482 1.734 0 N-CA-C 112.144 -0.383 . . . . 0.0 112.144 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.454 ' CD1' HD11 ' B' ' 15' ' ' LEU . 10.5 tt -64.48 -41.75 93.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 120.704 0.288 . . . . 0.0 111.482 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.445 HG21 ' OG1' ' B' ' 30' ' ' THR . 33.0 m -71.33 -16.14 19.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.307 0.575 . . . . 0.0 111.095 179.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -84.56 -30.35 25.13 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.1 -0.954 . . . . 0.0 112.232 -179.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.61 ' HG3' ' SG ' ' A' ' 11' ' ' CYS . 16.7 pt20 -112.99 -32.35 6.39 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 113.172 0.805 . . . . 0.0 113.172 -178.269 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 61.0 m -88.67 -36.58 16.14 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -178.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.755 ' HB2' HD11 ' B' ' 11' ' ' LEU . 43.3 t -83.29 -6.1 59.36 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.021 0.439 . . . . 0.0 111.41 -178.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.1 p -88.46 -56.48 3.29 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.3 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.429 ' O ' ' HB ' ' A' ' 10' ' ' ILE . 33.5 p -144.9 24.56 1.49 Allowed 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.461 -179.404 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.48 HD13 ' HB3' ' F' ' 3' ' ' ASN . 2.1 mp 71.53 138.38 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 CA-C-O 121.492 0.663 . . . . 0.0 111.439 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.61 ' SG ' ' HG3' ' A' ' 5' ' ' GLN . 91.5 m -94.32 156.0 16.73 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.611 179.23 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.4 m -71.92 163.27 28.14 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 178.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 23.9 tp -51.73 -51.33 56.95 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.215 0.531 . . . . 0.0 111.326 -179.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -62.43 -30.35 71.16 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.299 -0.864 . . . . 0.0 112.136 -178.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.4 ' HB2' ' HB3' ' A' ' 11' ' ' CYS . 75.5 mt-30 -70.74 -33.24 70.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.707 0.289 . . . . 0.0 111.276 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 94.6 mt -69.07 -29.19 67.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.929 0.395 . . . . 0.0 110.45 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -66.64 -17.54 64.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.093 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -68.3 -18.27 64.47 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.555 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -102.52 6.34 39.88 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.42 -178.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 2.3 m -72.08 155.34 40.4 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.464 0.65 . . . . 0.0 112.483 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 . . . . . 0 C--O 1.251 1.166 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.277 178.962 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 8.5 t80 . . . . . 0 N--CA 1.481 1.084 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 33.6 m 42.36 -146.15 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 C-N-CA 124.271 1.028 . . . . 0.0 113.252 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . 0.519 ' HB3' HD13 ' I' ' 10' ' ' ILE . 24.4 t-20 -157.6 176.27 12.84 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 -177.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . 0.788 ' HA ' ' HB3' ' B' ' 7' ' ' CYS . 0.1 OUTLIER -51.34 -27.88 10.85 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 123.445 0.698 . . . . 0.0 110.535 178.815 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . 0.408 ' CD2' HG21 ' I' ' 10' ' ' ILE . 59.2 t60 -59.91 -14.99 18.08 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.29 179.308 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' B' ' 6' ' ' LEU . 14.6 mt -124.46 -13.84 7.01 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.244 0.545 . . . . 0.0 110.098 178.167 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . 0.788 ' HB3' ' HA ' ' B' ' 4' ' ' GLN . 1.7 t -85.44 -42.27 14.64 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.38 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . 0.467 ' HA3' ' OH ' ' B' ' 26' ' ' TYR . . . -64.26 -25.58 69.88 Favored Glycine 0 N--CA 1.451 -0.338 0 CA-C-N 115.944 -0.571 . . . . 0.0 114.079 -178.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . 0.682 ' HB2' ' HG2' ' D' ' 13' ' ' GLU . 78.4 p -64.18 -17.88 63.95 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.064 0.459 . . . . 0.0 111.321 -179.193 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . 0.712 ' HA ' ' HG3' ' B' ' 13' ' ' GLU . 92.5 m-70 -105.58 -19.57 13.73 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.383 -179.713 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.755 HD11 ' HB2' ' A' ' 7' ' ' CYS . 54.9 mt -68.89 -38.94 79.96 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 177.551 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.648 ' HA ' ' HB2' ' B' ' 15' ' ' LEU . 15.3 m -68.9 -27.68 36.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 CA-C-N 114.683 -1.144 . . . . 0.0 112.385 -179.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.712 ' HG3' ' HA ' ' B' ' 10' ' ' HIS . 24.4 mt-10 -59.25 -49.57 77.33 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.447 0.641 . . . . 0.0 109.558 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.2 -30.0 63.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.548 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.648 ' HB2' ' HA ' ' B' ' 12' ' ' VAL . 4.5 mt -55.22 -61.5 2.28 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.202 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . 0.918 ' HB2' ' HG3' ' D' ' 28' ' ' PRO . 3.3 p90 -72.13 -19.91 61.71 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.179 -0.609 . . . . 0.0 111.32 -178.691 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 9.5 tt -66.77 -45.43 78.53 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 178.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 69.3 t -73.87 -40.48 53.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.467 178.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 2.3 t -64.97 -32.27 73.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.185 -179.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.81 -154.24 23.74 Favored Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.495 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -81.77 60.15 4.55 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.249 0.547 . . . . 0.0 111.03 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 66.0 mtt180 -121.11 -103.49 0.4 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.7 0.762 . . . . 0.0 110.36 179.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . 0.742 ' HA2' ' HD2' ' D' ' 28' ' ' PRO . . . 168.64 171.76 34.78 Favored Glycine 0 N--CA 1.439 -1.136 0 N-CA-C 109.67 -1.372 . . . . 0.0 109.67 -179.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . 0.771 ' CE1' ' HB3' ' B' ' 16' ' ' TYR . 11.4 p90 -160.12 160.6 33.18 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 117.435 0.617 . . . . 0.0 111.163 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . 0.534 ' HD1' ' HD1' ' D' ' 25' ' ' PHE . 15.8 m-85 -104.26 104.28 14.16 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.985 -1.007 . . . . 0.0 108.625 179.583 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.467 ' OH ' ' HA3' ' B' ' 8' ' ' GLY . 78.0 t80 -101.41 132.37 47.02 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.724 -179.483 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . 0.4 ' C ' ' H ' ' B' ' 29' ' ' LYS . 6.5 p -123.44 96.97 43.09 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.225 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . 0.913 ' HG3' ' HB2' ' D' ' 16' ' ' TYR . 96.2 Cg_endo -77.8 34.99 0.49 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.715 2.276 . . . . 0.0 111.645 179.259 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.4 ' H ' ' C ' ' B' ' 27' ' ' THR . 87.2 tttt -105.89 133.18 51.02 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.538 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' THR . . . . . 0.445 ' OG1' HG21 ' A' ' 3' ' ' VAL . 23.7 m . . . . . 0 C--O 1.246 0.899 0 CA-C-O 118.527 -0.749 . . . . 0.0 109.56 -179.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 1' ' ' GLY . . . . . 0.477 ' O ' ' HG2' ' C' ' 5' ' ' GLN . . . . . . . . 0 N--CA 1.479 1.546 0 N-CA-C 111.553 -0.619 . . . . 0.0 111.553 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 2' ' ' ILE . . . . . 0.452 ' CD1' HD11 ' D' ' 15' ' ' LEU . 10.2 tt -66.06 -41.46 89.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 117.007 0.404 . . . . 0.0 111.342 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 3' ' ' VAL . . . . . 0.419 ' O ' ' HB3' ' C' ' 7' ' ' CYS . 33.5 m -70.44 -18.63 21.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.243 0.545 . . . . 0.0 110.814 179.641 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -81.68 -31.44 32.21 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.215 -0.902 . . . . 0.0 112.414 -179.086 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 5' ' ' GLN . . . . . 0.588 ' HG3' ' SG ' ' C' ' 11' ' ' CYS . 16.4 pt20 -112.64 -30.19 7.19 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 113.464 0.912 . . . . 0.0 113.464 -178.09 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 61.0 m -90.86 -35.85 14.54 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -178.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 7' ' ' CYS . . . . . 0.713 ' HB2' HD11 ' D' ' 11' ' ' LEU . 43.9 t -83.18 -7.2 59.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.951 0.405 . . . . 0.0 111.176 -179.241 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 1.2 p -87.27 -57.16 3.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 122.325 -0.234 . . . . 0.0 111.522 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 9' ' ' SER . . . . . 0.44 ' O ' ' HB ' ' C' ' 10' ' ' ILE . 25.5 p -144.13 24.7 1.61 Allowed 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 -179.401 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . 0.514 HD13 ' HB3' ' L' ' 3' ' ' ASN . 2.0 mp 71.53 138.03 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 CA-C-O 121.451 0.643 . . . . 0.0 111.422 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 11' ' ' CYS . . . . . 0.588 ' SG ' ' HG3' ' C' ' 5' ' ' GLN . 96.0 m -93.54 158.55 15.65 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.349 179.322 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 15.8 m -74.9 163.29 27.81 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 178.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 23.0 tp -51.43 -50.42 59.76 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.25 0.548 . . . . 0.0 111.514 -179.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -64.06 -28.48 69.81 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.318 -0.856 . . . . 0.0 112.223 -178.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . 0.418 ' HB2' ' HB3' ' C' ' 11' ' ' CYS . 75.5 mt-30 -72.58 -31.86 65.55 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.724 0.297 . . . . 0.0 111.199 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 91.5 mt -70.0 -30.17 67.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.836 0.351 . . . . 0.0 110.319 179.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -65.87 -16.97 64.32 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.21 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -69.47 -18.03 63.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.504 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -102.33 6.12 40.24 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.483 -178.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 2.9 m -73.1 152.46 41.2 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 . . . . . 0 C--O 1.251 1.169 0 CA-C-N 115.135 -0.938 . . . . 0.0 109.295 178.659 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 9.4 t80 . . . . . 0 N--CA 1.48 1.042 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' D' D ' 2' ' ' VAL . . . . . . . . . . . . . 33.4 m 42.93 -146.42 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 C-N-CA 124.423 1.089 . . . . 0.0 113.203 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 3' ' ' ASN . . . . . 0.524 ' HB3' HD13 ' G' ' 10' ' ' ILE . 24.7 t-20 -156.99 177.32 11.65 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 110.094 -0.335 . . . . 0.0 110.094 -177.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 4' ' ' GLN . . . . . 0.806 ' HA ' ' HB3' ' D' ' 7' ' ' CYS . 0.1 OUTLIER -52.52 -27.56 16.97 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 123.25 0.62 . . . . 0.0 110.493 178.628 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 5' ' ' HIS . . . . . . . . . . . . . 60.0 t60 -59.85 -15.24 19.59 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.292 179.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 6' ' ' LEU . . . . . 0.453 HD23 ' HA ' ' D' ' 6' ' ' LEU . 14.8 mt -123.97 -14.54 7.1 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.327 0.584 . . . . 0.0 110.103 178.133 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 7' ' ' CYS . . . . . 0.806 ' HB3' ' HA ' ' D' ' 4' ' ' GLN . 1.7 t -84.62 -42.33 15.49 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.59 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 8' ' ' GLY . . . . . 0.464 ' HA3' ' OH ' ' D' ' 26' ' ' TYR . . . -64.13 -25.03 69.26 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 121.312 -0.47 . . . . 0.0 114.271 -178.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 9' ' ' SER . . . . . 0.701 ' HB2' ' HG2' ' B' ' 13' ' ' GLU . 77.4 p -64.85 -18.12 64.87 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.953 0.406 . . . . 0.0 111.451 -178.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 10' ' ' HIS . . . . . 0.719 ' HA ' ' HG3' ' D' ' 13' ' ' GLU . 92.4 m-70 -104.99 -19.75 13.74 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.359 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 11' ' ' LEU . . . . . 0.713 HD11 ' HB2' ' C' ' 7' ' ' CYS . 58.8 mt -68.86 -38.81 80.01 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 177.757 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 12' ' ' VAL . . . . . 0.64 ' HA ' ' HB2' ' D' ' 15' ' ' LEU . 15.4 m -69.12 -27.97 37.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 114.728 -1.124 . . . . 0.0 112.218 -179.698 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 13' ' ' GLU . . . . . 0.719 ' HG3' ' HA ' ' D' ' 10' ' ' HIS . 23.8 mt-10 -59.07 -49.28 78.47 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 121.359 0.599 . . . . 0.0 109.475 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.34 -30.2 63.18 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.377 -0.828 . . . . 0.0 110.709 179.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 15' ' ' LEU . . . . . 0.64 ' HB2' ' HA ' ' D' ' 12' ' ' VAL . 4.6 mt -55.24 -62.1 1.89 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.996 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 16' ' ' TYR . . . . . 0.913 ' HB2' ' HG3' ' B' ' 28' ' ' PRO . 3.3 p90 -71.22 -20.48 62.25 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 120.321 -0.552 . . . . 0.0 111.277 -178.62 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 9.4 tt -66.71 -44.94 80.32 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 178.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 69.8 t -74.3 -40.76 50.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.109 178.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 19' ' ' CYS . . . . . . . . . . . . . 2.0 t -64.41 -32.2 73.72 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.19 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.16 -152.93 22.52 Favored Glycine 0 N--CA 1.444 -0.821 0 C-N-CA 120.527 -0.844 . . . . 0.0 112.42 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -83.15 58.92 4.68 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.173 0.511 . . . . 0.0 110.972 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 22' ' ' ARG . . . . . . . . . . . . . 69.6 mtt180 -120.23 -103.1 0.41 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.81 0.814 . . . . 0.0 110.461 179.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 23' ' ' GLY . . . . . 0.693 ' HA2' ' HD2' ' B' ' 28' ' ' PRO . . . 168.48 171.42 34.3 Favored Glycine 0 N--CA 1.437 -1.261 0 CA-C-N 114.281 -1.327 . . . . 0.0 109.866 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 24' ' ' PHE . . . . . 0.772 ' CE1' ' HB3' ' D' ' 16' ' ' TYR . 10.9 p90 -159.8 160.25 33.62 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.473 0.654 . . . . 0.0 111.536 -179.708 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 25' ' ' PHE . . . . . 0.534 ' HD1' ' HD1' ' B' ' 25' ' ' PHE . 15.2 m-85 -103.76 104.01 13.97 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.933 -1.03 . . . . 0.0 108.985 179.534 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 26' ' ' TYR . . . . . 0.464 ' OH ' ' HA3' ' D' ' 8' ' ' GLY . 76.7 t80 -101.06 131.98 46.71 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.458 -0.497 . . . . 0.0 110.723 -179.459 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 27' ' ' THR . . . . . 0.4 ' C ' ' H ' ' D' ' 29' ' ' LYS . 4.9 p -123.54 95.99 44.24 Favored Pre-proline 0 C--N 1.32 -0.711 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.289 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 28' ' ' PRO . . . . . 0.918 ' HG3' ' HB2' ' B' ' 16' ' ' TYR . 98.1 Cg_endo -77.14 35.58 0.5 Allowed 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 123.083 2.522 . . . . 0.0 111.627 179.247 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 29' ' ' LYS . . . . . 0.4 ' H ' ' C ' ' D' ' 27' ' ' THR . 87.5 tttt -106.41 132.63 52.22 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.342 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 30' ' ' THR . . . . . 0.409 ' OG1' HG21 ' C' ' 3' ' ' VAL . 26.8 m . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.553 -0.737 . . . . 0.0 109.788 -179.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 1' ' ' GLY . . . . . 0.514 ' O ' ' HG2' ' E' ' 5' ' ' GLN . . . . . . . . 0 N--CA 1.487 2.096 0 N-CA-C 111.869 -0.493 . . . . 0.0 111.869 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 2' ' ' ILE . . . . . 0.466 ' CD1' HD11 ' F' ' 15' ' ' LEU . 10.6 tt -67.27 -41.89 87.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.771 0.32 . . . . 0.0 111.147 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 33.9 m -70.84 -17.2 20.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.221 0.534 . . . . 0.0 110.957 179.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 4' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -82.72 -31.34 28.54 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.208 -0.905 . . . . 0.0 112.356 -179.184 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 5' ' ' GLN . . . . . 0.592 ' HG3' ' SG ' ' E' ' 11' ' ' CYS . 16.2 pt20 -112.43 -31.43 6.81 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 113.234 0.828 . . . . 0.0 113.234 -177.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 6' ' ' CYS . . . . . . . . . . . . . 60.6 m -89.63 -35.99 15.53 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -178.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 7' ' ' CYS . . . . . 0.72 ' HB2' HD11 ' F' ' 11' ' ' LEU . 43.2 t -83.26 -7.08 59.65 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.046 0.45 . . . . 0.0 111.409 -179.242 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 1.2 p -87.28 -56.96 3.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 122.206 -0.309 . . . . 0.0 111.438 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 9' ' ' SER . . . . . 0.428 ' O ' ' HB ' ' E' ' 10' ' ' ILE . 12.2 p -144.76 25.56 1.45 Allowed 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.748 0.277 . . . . 0.0 111.748 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 10' ' ' ILE . . . . . 0.508 HD13 ' HB3' ' J' ' 3' ' ' ASN . 2.0 mp 71.04 137.53 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 CA-C-O 121.494 0.664 . . . . 0.0 111.834 179.672 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 11' ' ' CYS . . . . . 0.592 ' SG ' ' HG3' ' E' ' 5' ' ' GLN . 91.8 m -93.27 155.94 17.11 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.764 179.216 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 12' ' ' SER . . . . . . . . . . . . . 9.5 m -72.06 162.87 28.84 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 178.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 23.4 tp -51.4 -50.39 59.71 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.214 0.53 . . . . 0.0 111.605 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -64.15 -28.12 69.55 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.409 -0.814 . . . . 0.0 112.258 -178.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 15' ' ' GLN . . . . . 0.407 ' HB2' ' HB3' ' E' ' 11' ' ' CYS . 76.5 mt-30 -72.63 -32.45 65.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.767 0.318 . . . . 0.0 110.968 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 16' ' ' LEU . . . . . . . . . . . . . 91.9 mt -69.41 -30.01 67.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.898 0.38 . . . . 0.0 110.501 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 17' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -66.53 -16.37 64.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.155 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 18' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -69.6 -17.74 63.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.462 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 19' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -102.76 6.39 39.34 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.529 -178.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 20' ' ' CYS . . . . . . . . . . . . . 2.3 m -72.31 154.05 41.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.296 0.569 . . . . 0.0 112.446 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 21' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 . . . . . 0 C--O 1.252 1.201 0 CA-C-N 115.133 -0.939 . . . . 0.0 109.626 179.184 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' F' F ' 1' ' ' PHE . . . . . . . . . . . . . 9.3 t80 . . . . . 0 N--CA 1.48 1.037 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' F' F ' 2' ' ' VAL . . . . . . . . . . . . . 33.9 m 42.05 -146.18 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 124.313 1.045 . . . . 0.0 113.261 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 3' ' ' ASN . . . . . 0.48 ' HB3' HD13 ' A' ' 10' ' ' ILE . 24.3 t-20 -157.36 176.68 12.36 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.521 -0.308 . . . . 0.0 110.208 -178.069 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 4' ' ' GLN . . . . . 0.802 ' HA ' ' HB3' ' F' ' 7' ' ' CYS . 0.1 OUTLIER -51.93 -27.5 13.28 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 123.516 0.726 . . . . 0.0 110.519 178.759 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' F' F ' 5' ' ' HIS . . . . . 0.432 ' CD2' HG21 ' A' ' 10' ' ' ILE . 62.1 t60 -60.46 -14.51 19.71 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.144 179.279 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 6' ' ' LEU . . . . . . . . . . . . . 14.7 mt -124.34 -15.03 6.81 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.35 0.595 . . . . 0.0 110.047 178.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 7' ' ' CYS . . . . . 0.802 ' HB3' ' HA ' ' F' ' 4' ' ' GLN . 1.8 t -84.22 -43.17 15.17 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.346 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 8' ' ' GLY . . . . . 0.458 ' HA3' ' OH ' ' F' ' 26' ' ' TYR . . . -63.22 -25.38 68.24 Favored Glycine 0 N--CA 1.449 -0.47 0 N-CA-C 114.266 0.466 . . . . 0.0 114.266 -179.048 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 9' ' ' SER . . . . . 0.698 ' HB2' ' HG2' ' H' ' 13' ' ' GLU . 79.2 p -64.82 -17.73 64.5 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.049 0.452 . . . . 0.0 111.426 -179.047 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 10' ' ' HIS . . . . . 0.716 ' HA ' ' HG3' ' F' ' 13' ' ' GLU . 92.9 m-70 -105.54 -19.27 13.83 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.397 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 11' ' ' LEU . . . . . 0.72 HD11 ' HB2' ' E' ' 7' ' ' CYS . 57.2 mt -69.15 -38.89 79.0 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 177.49 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 12' ' ' VAL . . . . . 0.659 ' HA ' ' HB2' ' F' ' 15' ' ' LEU . 15.3 m -68.95 -27.59 36.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 114.695 -1.139 . . . . 0.0 112.304 -179.685 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 13' ' ' GLU . . . . . 0.716 ' HG3' ' HA ' ' F' ' 10' ' ' HIS . 23.6 mt-10 -59.25 -49.56 77.37 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 121.342 0.591 . . . . 0.0 109.583 179.669 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.21 -30.46 63.52 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.71 179.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 15' ' ' LEU . . . . . 0.659 ' HB2' ' HA ' ' F' ' 12' ' ' VAL . 4.5 mt -55.03 -61.59 2.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.903 -0.589 . . . . 0.0 112.189 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 16' ' ' TYR . . . . . 0.916 ' HB2' ' HG3' ' H' ' 28' ' ' PRO . 3.6 p90 -71.98 -20.21 61.76 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 120.169 -0.612 . . . . 0.0 111.182 -178.676 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 9.3 tt -66.52 -45.35 79.8 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 70.7 t -73.75 -41.24 54.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.317 178.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 19' ' ' CYS . . . . . . . . . . . . . 2.0 t -64.03 -32.51 74.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.047 -179.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.53 -154.02 23.78 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.159 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 21' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -81.53 60.59 4.6 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.353 0.597 . . . . 0.0 110.927 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 22' ' ' ARG . . . . . . . . . . . . . 63.2 mtt180 -121.92 -103.56 0.39 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.788 0.804 . . . . 0.0 110.225 179.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 23' ' ' GLY . . . . . 0.701 ' HA2' ' HD2' ' H' ' 28' ' ' PRO . . . 168.46 171.1 33.95 Favored Glycine 0 N--CA 1.44 -1.094 0 N-CA-C 109.803 -1.319 . . . . 0.0 109.803 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 24' ' ' PHE . . . . . 0.785 ' CE1' ' HB3' ' F' ' 16' ' ' TYR . 11.3 p90 -159.45 160.3 34.61 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.375 0.607 . . . . 0.0 111.363 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 25' ' ' PHE . . . . . 0.52 ' HD1' ' HD1' ' H' ' 25' ' ' PHE . 15.5 m-85 -103.77 104.85 14.92 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.916 -1.038 . . . . 0.0 108.664 179.379 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 26' ' ' TYR . . . . . 0.458 ' OH ' ' HA3' ' F' ' 8' ' ' GLY . 77.7 t80 -101.98 131.97 48.08 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.353 -0.539 . . . . 0.0 110.66 -179.587 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 27' ' ' THR . . . . . . . . . . . . . 5.9 p -123.38 97.38 42.68 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.063 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 28' ' ' PRO . . . . . 0.897 ' HG3' ' HB2' ' H' ' 16' ' ' TYR . 98.6 Cg_endo -77.89 34.7 0.49 Allowed 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 123.042 2.495 . . . . 0.0 111.587 179.386 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 29' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -104.76 135.65 45.74 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.111 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 30' ' ' THR . . . . . . . . . . . . . 24.6 m . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.744 -0.646 . . . . 0.0 109.68 -179.622 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' G' G ' 1' ' ' GLY . . . . . 0.5 ' O ' ' HG2' ' G' ' 5' ' ' GLN . . . . . . . . 0 N--CA 1.491 2.344 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 2' ' ' ILE . . . . . 0.441 ' CD1' HD11 ' H' ' 15' ' ' LEU . 9.8 tt -67.64 -41.26 85.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.892 0.377 . . . . 0.0 111.035 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 3' ' ' VAL . . . . . 0.432 HG21 ' OG1' ' H' ' 30' ' ' THR . 33.8 m -70.97 -16.47 19.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.257 0.551 . . . . 0.0 111.082 179.596 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 4' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -84.61 -29.99 25.32 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.234 -0.894 . . . . 0.0 112.079 -178.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 5' ' ' GLN . . . . . 0.583 ' HG3' ' SG ' ' G' ' 11' ' ' CYS . 16.4 pt20 -113.48 -30.56 6.82 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 -178.093 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 6' ' ' CYS . . . . . . . . . . . . . 61.1 m -90.95 -35.4 14.72 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -178.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 7' ' ' CYS . . . . . 0.735 ' HB2' HD11 ' H' ' 11' ' ' LEU . 46.0 t -83.96 -6.09 59.35 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.039 0.447 . . . . 0.0 111.322 -179.173 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -88.19 -56.54 3.28 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.376 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 9' ' ' SER . . . . . 0.431 ' O ' ' HB ' ' G' ' 10' ' ' ILE . 29.1 p -145.33 25.04 1.39 Allowed 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 121.038 -0.265 . . . . 0.0 111.597 -179.592 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 10' ' ' ILE . . . . . 0.524 HD13 ' HB3' ' D' ' 3' ' ' ASN . 2.1 mp 71.72 139.22 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 CA-C-O 121.525 0.679 . . . . 0.0 111.647 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 11' ' ' CYS . . . . . 0.583 ' SG ' ' HG3' ' G' ' 5' ' ' GLN . 94.0 m -94.87 156.5 16.32 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.459 179.42 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 12' ' ' SER . . . . . . . . . . . . . 5.9 m -72.62 163.45 28.04 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 178.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 13' ' ' LEU . . . . . . . . . . . . . 23.2 tp -51.59 -50.97 59.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.248 0.547 . . . . 0.0 111.638 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -62.99 -30.13 71.36 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.96 -178.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 15' ' ' GLN . . . . . 0.402 ' HB2' ' HB3' ' G' ' 11' ' ' CYS . 75.6 mt-30 -70.77 -32.57 69.74 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.736 0.303 . . . . 0.0 111.266 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 16' ' ' LEU . . . . . . . . . . . . . 93.5 mt -69.76 -28.53 65.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.986 0.422 . . . . 0.0 110.629 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 17' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -68.08 -16.0 63.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.225 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 18' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -69.42 -20.06 63.79 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.322 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 19' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -100.26 6.1 44.65 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.795 -178.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 20' ' ' CYS . . . . . . . . . . . . . 2.9 m -73.0 153.77 40.78 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -179.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 21' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 . . . . . 0 C--O 1.251 1.146 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.413 178.911 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' H' H ' 1' ' ' PHE . . . . . . . . . . . . . 9.7 t80 . . . . . 0 N--CA 1.482 1.126 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' H' H ' 2' ' ' VAL . . . . . . . . . . . . . 33.8 m 42.66 -146.17 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 C-N-CA 124.181 0.992 . . . . 0.0 113.207 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 3' ' ' ASN . . . . . 0.491 ' HB3' HD13 ' K' ' 10' ' ' ILE . 24.4 t-20 -157.4 176.84 12.15 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 -177.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 4' ' ' GLN . . . . . 0.787 ' HA ' ' HB3' ' H' ' 7' ' ' CYS . 0.1 OUTLIER -51.85 -28.34 15.58 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 123.413 0.685 . . . . 0.0 110.394 178.623 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' H' H ' 5' ' ' HIS . . . . . 0.424 ' CD2' HG21 ' K' ' 10' ' ' ILE . 61.1 t60 -59.59 -15.12 16.41 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.269 179.361 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 6' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' H' ' 6' ' ' LEU . 14.7 mt -124.08 -14.09 7.15 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.335 0.588 . . . . 0.0 110.02 178.151 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 7' ' ' CYS . . . . . 0.787 ' HB3' ' HA ' ' H' ' 4' ' ' GLN . 1.7 t -85.05 -42.51 14.78 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.368 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 8' ' ' GLY . . . . . 0.468 ' HA3' ' OH ' ' H' ' 26' ' ' TYR . . . -64.17 -25.27 69.52 Favored Glycine 0 N--CA 1.452 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 113.961 -178.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 9' ' ' SER . . . . . 0.678 ' HB2' ' HG2' ' F' ' 13' ' ' GLU . 77.3 p -64.66 -17.42 64.04 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.0 0.429 . . . . 0.0 111.419 -179.025 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 10' ' ' HIS . . . . . 0.709 ' HA ' ' HG3' ' H' ' 13' ' ' GLU . 92.9 m-70 -105.71 -19.89 13.62 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.447 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 11' ' ' LEU . . . . . 0.735 HD11 ' HB2' ' G' ' 7' ' ' CYS . 55.6 mt -68.57 -38.78 81.0 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 177.599 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 12' ' ' VAL . . . . . 0.636 ' HA ' ' HB2' ' H' ' 15' ' ' LEU . 15.5 m -68.99 -27.75 36.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 114.778 -1.101 . . . . 0.0 112.229 -179.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 13' ' ' GLU . . . . . 0.709 ' HG3' ' HA ' ' H' ' 10' ' ' HIS . 24.1 mt-10 -59.1 -49.54 77.48 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-O 121.387 0.613 . . . . 0.0 109.465 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.39 -29.9 62.92 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.788 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 15' ' ' LEU . . . . . 0.636 ' HB2' ' HA ' ' H' ' 12' ' ' VAL . 4.5 mt -55.34 -61.9 2.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.89 -0.595 . . . . 0.0 112.128 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 16' ' ' TYR . . . . . 0.897 ' HB2' ' HG3' ' F' ' 28' ' ' PRO . 3.6 p90 -71.62 -20.07 62.03 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.128 -0.629 . . . . 0.0 111.064 -178.62 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 9.4 tt -66.86 -44.73 80.23 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 178.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 69.7 t -74.86 -39.26 45.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.319 178.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 19' ' ' CYS . . . . . . . . . . . . . 2.3 t -66.05 -31.45 72.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.162 -179.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.52 -152.49 22.61 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.577 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 21' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -83.34 58.76 4.67 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.352 0.596 . . . . 0.0 110.848 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 22' ' ' ARG . . . . . . . . . . . . . 69.9 mtt180 -119.82 -104.03 0.4 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.565 0.698 . . . . 0.0 110.381 179.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 23' ' ' GLY . . . . . 0.716 ' HA2' ' HD2' ' F' ' 28' ' ' PRO . . . 169.59 171.63 35.38 Favored Glycine 0 N--CA 1.437 -1.236 0 N-CA-C 109.652 -1.379 . . . . 0.0 109.652 -179.645 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 24' ' ' PHE . . . . . 0.777 ' CE1' ' HB3' ' H' ' 16' ' ' TYR . 11.0 p90 -160.07 159.99 32.59 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 117.506 0.653 . . . . 0.0 111.282 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 25' ' ' PHE . . . . . 0.52 ' HD1' ' HD1' ' F' ' 25' ' ' PHE . 15.1 m-85 -103.72 103.45 13.35 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.011 179.508 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 26' ' ' TYR . . . . . 0.468 ' OH ' ' HA3' ' H' ' 8' ' ' GLY . 77.0 t80 -100.09 133.29 44.69 Favored 'General case' 0 C--N 1.318 -0.793 0 C-N-CA 120.354 -0.539 . . . . 0.0 110.782 -179.627 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 27' ' ' THR . . . . . . . . . . . . . 4.5 p -124.61 96.56 40.76 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.066 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 28' ' ' PRO . . . . . 0.916 ' HG3' ' HB2' ' F' ' 16' ' ' TYR . 99.0 Cg_endo -77.89 35.61 0.53 Allowed 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.983 2.455 . . . . 0.0 111.717 179.505 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 29' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -106.12 133.55 50.65 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.332 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 30' ' ' THR . . . . . 0.432 ' OG1' HG21 ' G' ' 3' ' ' VAL . 26.0 m . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.92 -0.562 . . . . 0.0 109.811 -179.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 1' ' ' GLY . . . . . 0.476 ' O ' ' HG2' ' I' ' 5' ' ' GLN . . . . . . . . 0 N--CA 1.492 2.375 0 N-CA-C 111.837 -0.505 . . . . 0.0 111.837 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 2' ' ' ILE . . . . . 0.453 ' CD1' HD11 ' J' ' 15' ' ' LEU . 10.5 tt -64.89 -42.12 93.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 117.074 0.437 . . . . 0.0 111.425 -179.58 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 3' ' ' VAL . . . . . 0.446 HG21 ' OG1' ' J' ' 30' ' ' THR . 33.3 m -70.28 -17.94 21.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 121.364 0.602 . . . . 0.0 111.076 179.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 4' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -82.74 -30.04 29.31 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.216 -0.902 . . . . 0.0 112.227 -179.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 5' ' ' GLN . . . . . 0.57 ' HG3' ' SG ' ' I' ' 11' ' ' CYS . 16.4 pt20 -113.76 -31.15 6.54 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 -178.296 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 6' ' ' CYS . . . . . . . . . . . . . 60.6 m -89.92 -36.08 15.22 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -178.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 7' ' ' CYS . . . . . 0.738 ' HB2' HD11 ' J' ' 11' ' ' LEU . 45.3 t -83.6 -5.78 59.27 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.96 0.41 . . . . 0.0 111.331 -179.06 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -88.32 -57.45 2.92 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.235 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 9' ' ' SER . . . . . 0.423 ' O ' ' HB ' ' I' ' 10' ' ' ILE . 14.5 p -144.76 26.07 1.42 Allowed 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.681 0.252 . . . . 0.0 111.681 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 10' ' ' ILE . . . . . 0.519 HD13 ' HB3' ' B' ' 3' ' ' ASN . 2.1 mp 71.13 137.46 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 CA-C-O 121.586 0.707 . . . . 0.0 111.886 179.58 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 11' ' ' CYS . . . . . 0.57 ' SG ' ' HG3' ' I' ' 5' ' ' GLN . 92.1 m -93.39 155.78 17.17 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.617 179.302 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 12' ' ' SER . . . . . . . . . . . . . 11.0 m -72.38 163.05 28.63 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 178.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 13' ' ' LEU . . . . . . . . . . . . . 24.0 tp -50.86 -51.0 55.66 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.4 0.619 . . . . 0.0 111.749 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -63.46 -28.21 69.81 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.259 -0.882 . . . . 0.0 112.41 -178.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -73.01 -32.14 64.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.746 0.308 . . . . 0.0 111.012 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 16' ' ' LEU . . . . . . . . . . . . . 93.3 mt -69.7 -29.53 66.96 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.951 0.405 . . . . 0.0 110.469 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 17' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -67.03 -16.16 64.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.318 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 18' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -68.97 -20.0 64.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.989 0.423 . . . . 0.0 111.174 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 19' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -100.4 6.2 44.42 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.709 -178.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 20' ' ' CYS . . . . . . . . . . . . . 2.2 m -72.67 153.0 41.41 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.347 0.594 . . . . 0.0 112.477 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 21' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 . . . . . 0 C--O 1.251 1.181 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.037 178.742 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' J' J ' 1' ' ' PHE . . . . . . . . . . . . . 10.2 t80 . . . . . 0 N--CA 1.483 1.184 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' J' J ' 2' ' ' VAL . . . . . . . . . . . . . 34.0 m 42.4 -145.91 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 C-N-CA 124.416 1.087 . . . . 0.0 113.219 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 3' ' ' ASN . . . . . 0.508 ' HB3' HD13 ' E' ' 10' ' ' ILE . 24.5 t-20 -157.93 176.16 12.9 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 -177.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 4' ' ' GLN . . . . . 0.813 ' HA ' ' HB3' ' J' ' 7' ' ' CYS . 0.1 OUTLIER -51.23 -28.17 10.86 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 123.423 0.689 . . . . 0.0 110.492 178.691 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' J' J ' 5' ' ' HIS . . . . . 0.426 ' CD2' HG21 ' E' ' 10' ' ' ILE . 59.5 t60 -59.56 -15.36 17.81 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.352 179.199 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 6' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' J' ' 6' ' ' LEU . 14.9 mt -124.02 -13.94 7.21 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.39 0.614 . . . . 0.0 110.141 178.055 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 7' ' ' CYS . . . . . 0.813 ' HB3' ' HA ' ' J' ' 4' ' ' GLN . 1.6 t -85.44 -41.93 14.95 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.373 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 8' ' ' GLY . . . . . 0.461 ' HA3' ' OH ' ' J' ' 26' ' ' TYR . . . -64.37 -25.72 70.14 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 121.322 -0.466 . . . . 0.0 114.156 -178.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 9' ' ' SER . . . . . 0.675 ' HB2' ' HG2' ' L' ' 13' ' ' GLU . 78.5 p -64.11 -18.21 64.19 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.869 0.366 . . . . 0.0 111.317 -179.066 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 10' ' ' HIS . . . . . 0.705 ' HA ' ' HG3' ' J' ' 13' ' ' GLU . 92.9 m-70 -105.25 -19.06 13.92 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.967 0.413 . . . . 0.0 110.431 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 11' ' ' LEU . . . . . 0.738 HD11 ' HB2' ' I' ' 7' ' ' CYS . 57.8 mt -69.22 -38.87 78.78 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 177.596 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 12' ' ' VAL . . . . . 0.651 ' HA ' ' HB2' ' J' ' 15' ' ' LEU . 15.5 m -69.13 -27.73 36.27 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 CA-C-N 114.613 -1.176 . . . . 0.0 112.303 -179.608 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 13' ' ' GLU . . . . . 0.705 ' HG3' ' HA ' ' J' ' 10' ' ' HIS . 24.3 mt-10 -59.17 -49.38 78.07 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.296 0.57 . . . . 0.0 109.554 179.711 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.26 -30.41 63.42 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.606 179.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 15' ' ' LEU . . . . . 0.651 ' HB2' ' HA ' ' J' ' 12' ' ' VAL . 4.5 mt -54.91 -61.49 2.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.891 -0.595 . . . . 0.0 112.109 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 16' ' ' TYR . . . . . 0.925 ' HB2' ' HG3' ' L' ' 28' ' ' PRO . 3.8 p90 -72.26 -20.33 61.55 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.17 -0.612 . . . . 0.0 111.092 -178.51 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 9.4 tt -66.4 -44.95 81.61 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 178.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 70.1 t -74.45 -41.26 49.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.15 179.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 19' ' ' CYS . . . . . . . . . . . . . 2.0 t -63.57 -33.31 75.32 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.157 -179.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.47 -154.68 23.57 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.212 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 21' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -81.04 60.99 4.44 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.087 0.47 . . . . 0.0 110.865 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 22' ' ' ARG . . . . . . . . . . . . . 68.3 mtt180 -122.02 -102.53 0.4 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.809 0.814 . . . . 0.0 110.343 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 23' ' ' GLY . . . . . 0.7 ' HA2' ' HD2' ' L' ' 28' ' ' PRO . . . 167.4 170.38 32.15 Favored Glycine 0 N--CA 1.44 -1.099 0 N-CA-C 109.698 -1.361 . . . . 0.0 109.698 -179.494 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 24' ' ' PHE . . . . . 0.783 ' CE1' ' HB3' ' J' ' 16' ' ' TYR . 11.0 p90 -159.36 160.37 34.93 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 117.394 0.597 . . . . 0.0 111.437 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 25' ' ' PHE . . . . . 0.542 ' HD1' ' HD1' ' L' ' 25' ' ' PHE . 14.6 m-85 -103.44 104.51 14.6 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.03 -0.986 . . . . 0.0 108.893 179.585 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 26' ' ' TYR . . . . . 0.461 ' OH ' ' HA3' ' J' ' 8' ' ' GLY . 76.8 t80 -101.39 133.08 46.55 Favored 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 120.377 -0.529 . . . . 0.0 110.562 -179.588 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 27' ' ' THR . . . . . 0.403 ' C ' ' H ' ' J' ' 29' ' ' LYS . 4.8 p -124.52 96.23 41.59 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.134 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 28' ' ' PRO . . . . . 0.933 ' HG3' ' HB2' ' L' ' 16' ' ' TYR . 88.5 Cg_endo -77.2 34.96 0.47 Allowed 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 123.062 2.508 . . . . 0.0 111.708 179.305 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 29' ' ' LYS . . . . . 0.403 ' H ' ' C ' ' J' ' 27' ' ' THR . 86.7 tttt -105.54 134.0 49.38 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.419 -0.809 . . . . 0.0 109.509 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 30' ' ' THR . . . . . 0.446 ' OG1' HG21 ' I' ' 3' ' ' VAL . 25.8 m . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.725 -0.655 . . . . 0.0 109.865 -179.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 1' ' ' GLY . . . . . 0.483 ' O ' ' HG2' ' K' ' 5' ' ' GLN . . . . . . . . 0 N--CA 1.486 1.971 0 N-CA-C 112.209 -0.356 . . . . 0.0 112.209 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 2' ' ' ILE . . . . . 0.45 ' CD1' HD11 ' L' ' 15' ' ' LEU . 10.3 tt -64.74 -42.29 94.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.842 0.354 . . . . 0.0 111.484 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' K' K ' 3' ' ' VAL . . . . . . . . . . . . . 33.5 m -69.68 -18.92 22.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 121.323 0.582 . . . . 0.0 111.193 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 4' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -81.68 -31.32 32.29 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.203 -0.908 . . . . 0.0 112.303 -179.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 5' ' ' GLN . . . . . 0.593 ' HG3' ' SG ' ' K' ' 11' ' ' CYS . 16.4 pt20 -112.35 -30.82 7.03 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 -178.02 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' K' K ' 6' ' ' CYS . . . . . . . . . . . . . 60.3 m -90.52 -35.81 14.86 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -178.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 7' ' ' CYS . . . . . 0.733 ' HB2' HD11 ' L' ' 11' ' ' LEU . 44.8 t -83.41 -6.79 59.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.961 0.41 . . . . 0.0 111.213 -179.232 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' K' K ' 8' ' ' THR . . . . . . . . . . . . . 1.2 p -87.53 -56.06 3.52 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.535 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 9' ' ' SER . . . . . 0.432 ' O ' ' HB ' ' K' ' 10' ' ' ILE . 22.7 p -145.36 24.25 1.43 Allowed 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -179.077 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' K' K ' 10' ' ' ILE . . . . . 0.491 HD13 ' HB3' ' H' ' 3' ' ' ASN . 2.0 mp 71.6 137.42 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 CA-C-O 121.618 0.723 . . . . 0.0 111.673 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' K' K ' 11' ' ' CYS . . . . . 0.593 ' SG ' ' HG3' ' K' ' 5' ' ' GLN . 92.5 m -93.34 156.26 16.9 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.617 179.211 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' K' K ' 12' ' ' SER . . . . . . . . . . . . . 8.3 m -72.32 164.45 26.28 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 178.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 13' ' ' LEU . . . . . . . . . . . . . 22.6 tp -52.77 -50.88 62.65 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.262 0.554 . . . . 0.0 111.583 -179.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -63.2 -29.2 70.59 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.291 -0.868 . . . . 0.0 112.086 -178.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -71.72 -32.04 67.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.712 0.292 . . . . 0.0 111.135 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 16' ' ' LEU . . . . . . . . . . . . . 94.2 mt -70.31 -29.43 66.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.907 0.384 . . . . 0.0 110.41 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 17' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -66.58 -16.98 64.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.216 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 18' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -68.65 -19.16 64.39 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.482 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 19' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 -101.76 6.6 41.81 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.495 -178.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 20' ' ' CYS . . . . . . . . . . . . . 2.1 m -73.3 153.05 40.71 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 21' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 . . . . . 0 C--O 1.252 1.189 0 CA-C-N 115.1 -0.955 . . . . 0.0 109.184 178.83 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' L' L ' 1' ' ' PHE . . . . . . . . . . . . . 9.3 t80 . . . . . 0 N--CA 1.482 1.16 0 N-CA-C 110.132 -0.322 . . . . 0.0 110.132 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' L' L ' 2' ' ' VAL . . . . . . . . . . . . . 34.0 m 41.59 -146.35 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 C-N-CA 124.284 1.034 . . . . 0.0 113.274 -179.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 3' ' ' ASN . . . . . 0.514 ' HB3' HD13 ' C' ' 10' ' ' ILE . 24.4 t-20 -157.32 175.64 13.74 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 -178.043 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' L' L ' 4' ' ' GLN . . . . . 0.793 ' HA ' ' HB3' ' L' ' 7' ' ' CYS . 0.1 OUTLIER -50.38 -28.44 8.08 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 123.603 0.761 . . . . 0.0 110.609 178.713 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' L' L ' 5' ' ' HIS . . . . . . . . . . . . . 57.9 t60 -59.58 -14.8 14.73 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.392 179.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 6' ' ' LEU . . . . . 0.46 HD23 ' HA ' ' L' ' 6' ' ' LEU . 14.6 mt -124.6 -14.12 6.88 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.403 0.62 . . . . 0.0 109.919 178.263 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' L' L ' 7' ' ' CYS . . . . . 0.793 ' HB3' ' HA ' ' L' ' 4' ' ' GLN . 1.7 t -85.01 -42.65 14.67 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.429 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' L' L ' 8' ' ' GLY . . . . . 0.469 ' HA3' ' OH ' ' L' ' 26' ' ' TYR . . . -63.96 -25.85 69.69 Favored Glycine 0 N--CA 1.452 -0.294 0 CA-C-N 116.033 -0.53 . . . . 0.0 114.131 -178.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' L' L ' 9' ' ' SER . . . . . 0.689 ' HB2' ' HG2' ' J' ' 13' ' ' GLU . 73.8 p -64.11 -17.99 63.98 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.945 0.402 . . . . 0.0 111.45 -179.224 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' L' L ' 10' ' ' HIS . . . . . 0.719 ' HA ' ' HG3' ' L' ' 13' ' ' GLU . 93.1 m-70 -105.19 -19.71 13.73 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.067 0.46 . . . . 0.0 110.38 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' L' L ' 11' ' ' LEU . . . . . 0.733 HD11 ' HB2' ' K' ' 7' ' ' CYS . 58.0 mt -68.6 -39.22 81.0 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 177.517 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' L' L ' 12' ' ' VAL . . . . . 0.631 ' HA ' ' HB2' ' L' ' 15' ' ' LEU . 15.3 m -68.68 -28.04 38.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 114.662 -1.154 . . . . 0.0 112.175 -179.718 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' L' L ' 13' ' ' GLU . . . . . 0.719 ' HG3' ' HA ' ' L' ' 10' ' ' HIS . 24.0 mt-10 -59.01 -49.32 78.34 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.339 0.59 . . . . 0.0 109.517 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' L' L ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.55 -29.86 62.7 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.619 179.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 15' ' ' LEU . . . . . 0.631 ' HB2' ' HA ' ' L' ' 12' ' ' VAL . 4.5 mt -55.42 -61.52 2.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.824 -0.626 . . . . 0.0 112.094 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' L' L ' 16' ' ' TYR . . . . . 0.933 ' HB2' ' HG3' ' J' ' 28' ' ' PRO . 3.8 p90 -72.11 -20.01 61.7 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 120.107 -0.637 . . . . 0.0 111.197 -178.587 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 9.4 tt -66.37 -45.82 78.82 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 178.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 68.9 t -73.72 -41.21 54.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.265 178.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 19' ' ' CYS . . . . . . . . . . . . . 2.3 t -64.23 -31.46 72.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.202 -179.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.05 -153.37 23.58 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.502 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 21' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -82.33 59.32 4.48 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.173 0.511 . . . . 0.0 111.091 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 22' ' ' ARG . . . . . . . . . . . . . 66.2 mtt180 -120.6 -103.66 0.4 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.719 0.771 . . . . 0.0 110.435 179.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 23' ' ' GLY . . . . . 0.721 ' HA2' ' HD2' ' J' ' 28' ' ' PRO . . . 169.08 170.99 34.35 Favored Glycine 0 N--CA 1.44 -1.067 0 N-CA-C 109.682 -1.367 . . . . 0.0 109.682 -179.642 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' L' L ' 24' ' ' PHE . . . . . 0.779 ' CE1' ' HB3' ' L' ' 16' ' ' TYR . 10.5 p90 -159.68 159.74 33.33 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 117.497 0.649 . . . . 0.0 111.361 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' L' L ' 25' ' ' PHE . . . . . 0.542 ' HD1' ' HD1' ' J' ' 25' ' ' PHE . 15.5 m-85 -103.1 104.79 14.99 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.11 -0.95 . . . . 0.0 108.828 179.541 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' L' L ' 26' ' ' TYR . . . . . 0.469 ' OH ' ' HA3' ' L' ' 8' ' ' GLY . 78.1 t80 -102.05 131.08 48.72 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 120.238 -0.585 . . . . 0.0 110.921 -179.362 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' L' L ' 27' ' ' THR . . . . . . . . . . . . . 8.0 p -122.18 96.91 46.01 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.255 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 28' ' ' PRO . . . . . 0.925 ' HG3' ' HB2' ' J' ' 16' ' ' TYR . 98.6 Cg_endo -77.2 33.95 0.45 Allowed 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 123.136 2.557 . . . . 0.0 111.543 179.035 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' L' L ' 29' ' ' LYS . . . . . . . . . . . . . 86.8 tttt . . . . . 0 C--N 1.318 -0.771 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.27 179.9 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . 0.711 ' O ' ' HB3' ' A' ' 5' ' ' GLN . . . . . . . . 0 N--CA 1.476 1.364 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.402 HD11 ' CD1' ' B' ' 15' ' ' LEU . 13.2 tt -91.67 -10.96 9.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 121.231 0.539 . . . . 0.0 111.406 -178.571 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.407 ' CG2' ' HA ' ' B' ' 28' ' ' PRO . 20.0 t -96.87 -86.06 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -179.211 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -60.21 -41.13 92.36 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 -177.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.711 ' HB3' ' O ' ' A' ' 1' ' ' GLY . 23.1 tt0 -62.11 -30.56 71.1 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.663 0.268 . . . . 0.0 110.89 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 90.6 m -105.64 10.28 32.97 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -179.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 17.4 t -133.4 39.75 3.21 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.573 0.702 . . . . 0.0 110.497 179.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -125.26 -46.12 1.8 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.615 178.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.458 ' O ' ' HB ' ' A' ' 10' ' ' ILE . 15.3 t -150.06 19.87 0.87 Allowed 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 179.462 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.458 ' HB ' ' O ' ' A' ' 9' ' ' SER . 2.8 mp 74.97 125.31 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.225 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.1 m -75.98 162.61 27.93 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.48 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 41.4 p -89.7 162.76 15.41 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.392 178.214 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.948 HD11 HD11 ' G' ' 13' ' ' LEU . 3.0 tt -57.74 -41.79 82.56 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.968 -179.33 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -64.38 -34.96 79.37 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.07 -0.514 . . . . 0.0 112.24 -178.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -69.37 -39.74 77.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.043 0.449 . . . . 0.0 110.876 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.4 ' HB3' HD23 ' B' ' 15' ' ' LEU . 86.5 mt -73.85 -23.42 59.61 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.561 -179.325 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -59.34 -33.05 70.67 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -178.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 21.3 p30 -91.69 12.53 20.9 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.878 0.371 . . . . 0.0 111.898 -179.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 15.8 m-30 -107.8 17.6 22.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.353 0.597 . . . . 0.0 110.434 179.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 59.1 m -93.22 175.21 6.86 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.59 179.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.559 ' HB2' ' HB3' ' B' ' 22' ' ' ARG . 4.2 m120 . . . . . 0 C--O 1.242 0.673 0 CA-C-O 118.525 -0.75 . . . . 0.0 110.03 178.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 36.5 t80 . . . . . 0 N--CA 1.48 1.034 0 CA-C-O 120.729 0.299 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 12.3 p -83.73 62.56 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 CA-C-O 122.518 1.151 . . . . 0.0 111.411 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -152.78 -50.46 0.1 Allowed 'General case' 0 C--O 1.216 -0.703 0 CA-C-N 115.047 -0.979 . . . . 0.0 108.656 178.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -49.96 -52.17 35.73 Favored 'General case' 0 N--CA 1.464 0.273 0 O-C-N 123.811 0.694 . . . . 0.0 111.827 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . 0.431 ' CE1' HD22 ' D' ' 17' ' ' LEU . 67.4 t60 -59.7 -39.17 83.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.786 0.327 . . . . 0.0 111.043 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 mt -78.95 -23.49 44.54 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.588 0.709 . . . . 0.0 110.1 -179.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 41.3 t -75.65 -47.05 28.02 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.454 -1.248 . . . . 0.0 110.511 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . 0.521 ' HA2' ' HG ' ' B' ' 11' ' ' LEU . . . -56.97 -32.62 62.67 Favored Glycine 0 N--CA 1.451 -0.317 0 CA-C-N 115.785 -0.643 . . . . 0.0 113.725 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . 0.497 ' HB2' ' HE1' ' J' ' 10' ' ' HIS . 0.7 OUTLIER -65.89 -1.68 3.18 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.849 0.356 . . . . 0.0 111.772 -179.703 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . 0.496 ' HE1' ' HB2' ' F' ' 9' ' ' SER . 92.0 m-70 -109.92 -35.86 6.04 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 178.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.521 ' HG ' ' HA2' ' B' ' 8' ' ' GLY . 0.7 OUTLIER -66.5 -28.51 68.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.715 179.546 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.68 ' O ' ' HB2' ' B' ' 16' ' ' TYR . 16.3 m -56.24 -48.65 79.16 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.605 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.969 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -56.5 -51.08 69.84 Favored 'General case' 0 N--CA 1.464 0.231 0 O-C-N 123.219 0.324 . . . . 0.0 111.086 179.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.17 -52.03 54.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.247 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.402 ' CD1' HD11 ' A' ' 2' ' ' ILE . 76.2 mt -69.24 -33.71 73.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.331 0.586 . . . . 0.0 110.722 179.451 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . 0.68 ' HB2' ' O ' ' B' ' 12' ' ' VAL . 0.6 OUTLIER -67.05 -20.56 65.85 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.177 -179.188 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.476 HD13 ' HA ' ' B' ' 17' ' ' LEU . 0.5 OUTLIER -89.05 -47.96 7.75 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 178.559 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 62.0 t -69.12 -46.88 77.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.898 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 1.6 m -101.26 32.49 3.25 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.367 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.92 -38.34 93.97 Favored Glycine 0 N--CA 1.451 -0.362 0 CA-C-N 116.148 -0.478 . . . . 0.0 114.285 -178.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -90.21 6.72 41.54 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 117.242 0.521 . . . . 0.0 112.122 -178.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . 0.559 ' HB3' ' HB2' ' A' ' 21' ' ' ASN . 93.8 mtt180 -125.84 -79.18 0.6 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.745 0.783 . . . . 0.0 110.147 178.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . 0.424 ' HA3' ' HA ' ' D' ' 27' ' ' THR . . . 148.32 175.78 21.22 Favored Glycine 0 N--CA 1.439 -1.16 0 CA-C-N 114.373 -1.285 . . . . 0.0 109.983 -179.115 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 20.3 p90 -140.4 143.05 35.45 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.341 0.591 . . . . 0.0 110.876 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . 0.404 ' H ' ' HD1' ' B' ' 25' ' ' PHE . 2.3 p90 -97.29 106.0 18.25 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 179.201 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.458 ' CE2' ' HG3' ' B' ' 28' ' ' PRO . 38.3 t80 -97.65 96.71 8.46 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.973 -178.419 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . 0.428 ' HA ' ' HA3' ' D' ' 23' ' ' GLY . 38.5 m -115.54 97.57 48.93 Favored Pre-proline 0 C--N 1.318 -0.782 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.23 179.617 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . 0.458 ' HG3' ' CE2' ' B' ' 26' ' ' TYR . 16.7 Cg_exo -67.52 -20.47 47.58 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 123.07 2.513 . . . . 0.0 111.816 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.22 112.67 5.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.396 179.733 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 1.8 p . . . . . 0 C--O 1.247 0.97 0 CA-C-O 119.207 -0.425 . . . . 0.0 110.418 179.725 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 1' ' ' GLY . . . . . 0.698 ' O ' ' HB3' ' C' ' 5' ' ' GLN . . . . . . . . 0 N--CA 1.478 1.486 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 2' ' ' ILE . . . . . 0.415 HD11 ' CD1' ' D' ' 15' ' ' LEU . 13.6 tt -90.85 -10.63 10.0 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-O 121.412 0.625 . . . . 0.0 111.447 -178.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 3' ' ' VAL . . . . . 0.407 ' CG2' ' HA ' ' D' ' 28' ' ' PRO . 19.1 t -96.88 -86.49 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -178.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -60.4 -40.66 91.76 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.678 0.621 . . . . 0.0 112.678 -178.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 5' ' ' GLN . . . . . 0.698 ' HB3' ' O ' ' C' ' 1' ' ' GLY . 21.3 tt0 -62.23 -31.38 71.92 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 121.159 -0.216 . . . . 0.0 110.788 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 91.5 m -104.83 9.67 34.74 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -179.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 7' ' ' CYS . . . . . . . . . . . . . 16.8 t -132.59 40.48 3.27 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.58 0.705 . . . . 0.0 110.469 179.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -125.75 -47.21 1.69 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.281 178.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 9' ' ' SER . . . . . 0.429 ' O ' ' HB ' ' C' ' 10' ' ' ILE . 18.6 t -149.16 21.48 0.96 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.315 179.322 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . 0.429 ' HB ' ' O ' ' C' ' 9' ' ' SER . 2.9 mp 73.64 125.23 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.36 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 2.8 m -76.02 164.17 26.42 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.482 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 35.9 p -91.13 162.66 14.58 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 178.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 13' ' ' LEU . . . . . 0.973 HD11 HD11 ' I' ' 13' ' ' LEU . 3.0 tt -57.78 -41.78 82.78 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.044 0.45 . . . . 0.0 111.024 -179.205 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -63.97 -35.66 81.42 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.931 -0.577 . . . . 0.0 112.257 -179.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -68.88 -39.64 79.67 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.018 0.437 . . . . 0.0 110.884 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 16' ' ' LEU . . . . . 0.407 ' HB3' HD23 ' D' ' 15' ' ' LEU . 84.6 mt -73.95 -22.73 59.54 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.562 -179.501 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -60.55 -31.83 70.92 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -178.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 22.0 p30 -93.08 14.66 17.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.015 0.436 . . . . 0.0 111.467 -179.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 15.8 m-30 -110.33 19.38 18.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.303 0.573 . . . . 0.0 110.369 179.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 58.3 m -94.96 175.67 6.55 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.514 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 21' ' ' ASN . . . . . 0.575 ' HB2' ' HB3' ' D' ' 22' ' ' ARG . 4.3 m120 . . . . . 0 C--O 1.247 0.929 0 CA-C-O 118.29 -0.862 . . . . 0.0 110.185 178.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 35.8 t80 . . . . . 0 N--CA 1.484 1.232 0 CA-C-O 120.735 0.302 . . . . 0.0 111.306 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' D' D ' 2' ' ' VAL . . . . . 0.411 HG13 ' O ' ' D' ' 2' ' ' VAL . 10.7 p -83.16 63.8 0.37 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 CA-C-O 122.492 1.139 . . . . 0.0 111.077 179.494 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 3' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -154.59 -50.66 0.09 Allowed 'General case' 0 C--O 1.214 -0.783 0 CA-C-N 115.097 -0.956 . . . . 0.0 108.494 178.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -49.76 -52.56 30.91 Favored 'General case' 0 N--CA 1.465 0.3 0 O-C-N 123.751 0.657 . . . . 0.0 111.658 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 5' ' ' HIS . . . . . 0.411 ' CE1' HD22 ' B' ' 17' ' ' LEU . 63.8 t60 -58.91 -40.25 83.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.793 0.33 . . . . 0.0 111.077 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 mt -78.56 -21.46 48.68 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.455 0.645 . . . . 0.0 110.231 -179.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 7' ' ' CYS . . . . . . . . . . . . . 39.0 t -78.0 -46.75 20.18 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.72 -1.127 . . . . 0.0 110.291 -179.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 8' ' ' GLY . . . . . 0.511 ' HA2' ' HG ' ' D' ' 11' ' ' LEU . . . -57.3 -32.12 63.38 Favored Glycine 0 N--CA 1.45 -0.421 0 CA-C-N 115.758 -0.655 . . . . 0.0 113.669 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 9' ' ' SER . . . . . 0.53 ' HB2' ' HE1' ' H' ' 10' ' ' HIS . 0.7 OUTLIER -66.63 0.3 2.39 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.009 0.433 . . . . 0.0 111.86 -179.777 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 10' ' ' HIS . . . . . 0.518 ' HE1' ' HB2' ' L' ' 9' ' ' SER . 91.5 m-70 -111.51 -36.34 5.54 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 178.644 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 11' ' ' LEU . . . . . 0.511 ' HG ' ' HA2' ' D' ' 8' ' ' GLY . 0.7 OUTLIER -66.45 -27.92 68.19 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.71 179.465 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 12' ' ' VAL . . . . . 0.667 ' O ' ' HB2' ' D' ' 16' ' ' TYR . 16.0 m -56.7 -48.58 80.59 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.603 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.918 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -56.36 -51.33 68.7 Favored 'General case' 0 N--CA 1.464 0.235 0 O-C-N 123.247 0.342 . . . . 0.0 111.154 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.46 -51.3 60.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.412 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 15' ' ' LEU . . . . . 0.415 ' CD1' HD11 ' C' ' 2' ' ' ILE . 76.7 mt -69.68 -33.35 72.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.32 0.581 . . . . 0.0 110.669 179.292 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 16' ' ' TYR . . . . . 0.667 ' HB2' ' O ' ' D' ' 12' ' ' VAL . 0.6 OUTLIER -67.65 -20.02 65.27 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.007 -179.104 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . 0.476 ' HA ' HD13 ' D' ' 17' ' ' LEU . 0.5 OUTLIER -89.28 -48.53 7.3 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.027 0.442 . . . . 0.0 109.865 178.565 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 60.4 t -68.47 -47.01 79.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.996 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 19' ' ' CYS . . . . . . . . . . . . . 1.6 m -101.55 32.94 3.13 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.528 -179.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.27 -37.9 93.73 Favored Glycine 0 CA--C 1.517 0.191 0 CA-C-N 115.997 -0.547 . . . . 0.0 114.214 -178.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -90.9 7.47 39.91 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 117.049 0.424 . . . . 0.0 112.12 -178.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 22' ' ' ARG . . . . . 0.575 ' HB3' ' HB2' ' C' ' 21' ' ' ASN . 94.2 mtt180 -126.94 -77.51 0.58 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.862 0.839 . . . . 0.0 110.373 178.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 23' ' ' GLY . . . . . 0.428 ' HA3' ' HA ' ' B' ' 27' ' ' THR . . . 146.14 175.81 19.48 Favored Glycine 0 N--CA 1.438 -1.172 0 CA-C-N 114.398 -1.274 . . . . 0.0 110.18 -178.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 24' ' ' PHE . . . . . . . . . . . . . 18.8 p90 -140.99 143.05 34.24 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.241 0.544 . . . . 0.0 110.928 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 25' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -97.25 105.46 17.61 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 26' ' ' TYR . . . . . 0.43 ' CE2' ' HG3' ' D' ' 28' ' ' PRO . 37.8 t80 -97.15 96.86 8.73 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.543 -0.463 . . . . 0.0 111.135 -178.496 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 27' ' ' THR . . . . . 0.424 ' HA ' ' HA3' ' B' ' 23' ' ' GLY . 39.0 m -115.74 97.7 49.46 Favored Pre-proline 0 C--N 1.32 -0.692 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.303 179.452 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 28' ' ' PRO . . . . . 0.43 ' HG3' ' CE2' ' D' ' 26' ' ' TYR . 16.5 Cg_exo -67.32 -21.03 48.17 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 123.2 2.6 . . . . 0.0 111.766 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 29' ' ' LYS . . . . . 0.423 ' HZ2' ' HB3' ' D' ' 29' ' ' LYS . 0.0 OUTLIER -67.87 113.42 5.59 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.454 179.413 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 C--O 1.249 1.068 0 CA-C-O 119.075 -0.488 . . . . 0.0 110.369 -179.914 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' E' E ' 1' ' ' GLY . . . . . 0.71 ' O ' ' HB3' ' E' ' 5' ' ' GLN . . . . . . . . 0 N--CA 1.482 1.752 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 2' ' ' ILE . . . . . 0.414 HD11 ' CD1' ' F' ' 15' ' ' LEU . 14.6 tt -91.25 -14.41 8.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-O 121.097 0.475 . . . . 0.0 110.993 -178.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 3' ' ' VAL . . . . . 0.416 ' CG2' ' HA ' ' F' ' 28' ' ' PRO . 19.4 t -93.6 -87.41 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 112.419 0.525 . . . . 0.0 112.419 -179.311 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 4' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -59.44 -41.15 88.95 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -177.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 5' ' ' GLN . . . . . 0.71 ' HB3' ' O ' ' E' ' 1' ' ' GLY . 22.5 tt0 -61.21 -32.15 71.92 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.665 0.269 . . . . 0.0 110.866 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 6' ' ' CYS . . . . . . . . . . . . . 86.1 m -104.28 10.12 35.7 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -179.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 7' ' ' CYS . . . . . . . . . . . . . 19.4 t -132.92 39.53 3.3 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.492 0.663 . . . . 0.0 110.269 179.294 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -124.55 -47.89 1.83 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.197 178.659 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 9' ' ' SER . . . . . 0.446 ' O ' ' HB ' ' E' ' 10' ' ' ILE . 20.6 t -148.32 21.36 1.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.868 0.366 . . . . 0.0 110.26 179.174 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 10' ' ' ILE . . . . . 0.446 ' HB ' ' O ' ' E' ' 9' ' ' SER . 2.8 mp 74.4 123.89 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.438 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 11' ' ' CYS . . . . . . . . . . . . . 3.3 m -74.48 163.57 27.6 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.422 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 12' ' ' SER . . . . . . . . . . . . . 33.1 p -90.93 162.05 14.92 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 178.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 13' ' ' LEU . . . . . 0.936 HD11 HD11 ' K' ' 13' ' ' LEU . 3.0 tt -56.71 -42.68 79.58 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.202 -179.206 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -62.97 -36.9 85.04 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.936 -179.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -67.35 -40.22 85.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.968 0.413 . . . . 0.0 111.14 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 16' ' ' LEU . . . . . 0.408 ' HB3' HD23 ' F' ' 15' ' ' LEU . 84.3 mt -74.02 -21.89 59.79 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.577 -179.378 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 17' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -60.65 -33.27 72.56 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 112.127 0.418 . . . . 0.0 112.127 -178.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 18' ' ' ASN . . . . . . . . . . . . . 21.1 p30 -91.55 13.07 18.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.87 0.367 . . . . 0.0 111.678 -179.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 19' ' ' TYR . . . . . . . . . . . . . 16.2 m-30 -108.08 18.24 21.4 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.318 0.58 . . . . 0.0 110.349 179.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 20' ' ' CYS . . . . . . . . . . . . . 58.3 m -93.84 175.81 6.58 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.589 179.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 21' ' ' ASN . . . . . 0.553 ' HB2' ' HB3' ' F' ' 22' ' ' ARG . 4.0 m120 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.445 -0.788 . . . . 0.0 110.291 179.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 1' ' ' PHE . . . . . . . . . . . . . 36.6 t80 . . . . . 0 N--CA 1.481 1.083 0 CA-C-O 120.883 0.373 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' F' F ' 2' ' ' VAL . . . . . . . . . . . . . 11.2 p -82.21 63.35 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 CA-C-O 122.579 1.18 . . . . 0.0 111.204 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 3' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -153.96 -50.73 0.09 Allowed 'General case' 0 C--O 1.214 -0.807 0 CA-C-N 115.069 -0.968 . . . . 0.0 108.463 178.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 4' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -49.51 -52.4 29.79 Favored 'General case' 0 N--CA 1.462 0.156 0 O-C-N 123.679 0.612 . . . . 0.0 111.836 179.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 5' ' ' HIS . . . . . 0.419 ' CE1' HD22 ' H' ' 17' ' ' LEU . 64.8 t60 -59.07 -40.06 84.03 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.794 0.331 . . . . 0.0 111.093 -179.686 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 6' ' ' LEU . . . . . . . . . . . . . 4.1 mt -78.97 -22.06 46.18 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.551 0.691 . . . . 0.0 110.068 -178.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 7' ' ' CYS . . . . . . . . . . . . . 39.9 t -77.21 -46.78 22.12 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.643 -1.162 . . . . 0.0 110.207 -179.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 8' ' ' GLY . . . . . 0.515 ' HA2' ' HG ' ' F' ' 11' ' ' LEU . . . -57.19 -32.29 63.16 Favored Glycine 0 N--CA 1.452 -0.26 0 CA-C-N 115.778 -0.647 . . . . 0.0 113.776 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 9' ' ' SER . . . . . 0.496 ' HB2' ' HE1' ' B' ' 10' ' ' HIS . 0.7 OUTLIER -66.1 -1.64 3.38 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.937 0.399 . . . . 0.0 111.681 -179.6 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' F' F ' 10' ' ' HIS . . . . . 0.497 ' HE1' ' HB2' ' J' ' 9' ' ' SER . 91.8 m-70 -109.66 -36.15 6.02 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 178.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 11' ' ' LEU . . . . . 0.515 ' HG ' ' HA2' ' F' ' 8' ' ' GLY . 0.6 OUTLIER -66.52 -27.88 68.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.769 179.561 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' F' F ' 12' ' ' VAL . . . . . 0.667 ' O ' ' HB2' ' F' ' 16' ' ' TYR . 16.3 m -56.73 -48.73 80.45 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.684 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.803 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 13' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -56.22 -51.49 67.88 Favored 'General case' 0 N--CA 1.464 0.227 0 O-C-N 123.257 0.348 . . . . 0.0 111.049 179.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.3 -51.66 57.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.261 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 15' ' ' LEU . . . . . 0.414 ' CD1' HD11 ' E' ' 2' ' ' ILE . 77.4 mt -69.32 -33.33 72.98 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.384 0.612 . . . . 0.0 110.789 179.283 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 16' ' ' TYR . . . . . 0.667 ' HB2' ' O ' ' F' ' 12' ' ' VAL . 0.6 OUTLIER -67.37 -20.65 65.59 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.99 -179.115 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' F' F ' 17' ' ' LEU . . . . . 0.483 ' HA ' HD13 ' F' ' 17' ' ' LEU . 0.5 OUTLIER -89.18 -46.96 8.41 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.144 0.497 . . . . 0.0 110.135 178.747 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 60.6 t -70.54 -43.84 77.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.132 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 m -104.66 33.24 3.66 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.117 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.96 -35.05 90.82 Favored Glycine 0 CA--C 1.516 0.099 0 N-CA-C 114.55 0.58 . . . . 0.0 114.55 -178.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 21' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -93.21 7.97 42.12 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 117.104 0.452 . . . . 0.0 112.081 -179.098 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 22' ' ' ARG . . . . . 0.553 ' HB3' ' HB2' ' E' ' 21' ' ' ASN . 94.3 mtt180 -127.57 -78.99 0.58 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.779 0.8 . . . . 0.0 109.959 178.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 23' ' ' GLY . . . . . . . . . . . . . . . 148.26 175.83 21.22 Favored Glycine 0 N--CA 1.441 -1.014 0 CA-C-N 114.368 -1.287 . . . . 0.0 110.215 -179.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 24' ' ' PHE . . . . . . . . . . . . . 18.7 p90 -140.76 142.89 34.69 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 121.222 0.535 . . . . 0.0 110.737 179.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 25' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -97.2 106.77 19.16 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 179.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 26' ' ' TYR . . . . . 0.448 ' CE2' ' HG3' ' F' ' 28' ' ' PRO . 38.8 t80 -98.64 96.36 7.89 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.932 -178.414 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 27' ' ' THR . . . . . 0.417 ' HA ' ' HA3' ' H' ' 23' ' ' GLY . 38.9 m -115.28 97.92 49.38 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.444 179.413 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 28' ' ' PRO . . . . . 0.448 ' HG3' ' CE2' ' F' ' 26' ' ' TYR . 16.7 Cg_exo -67.72 -20.28 46.53 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 123.244 2.629 . . . . 0.0 111.727 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.38 112.97 5.56 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.336 179.315 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 30' ' ' THR . . . . . . . . . . . . . 1.1 p . . . . . 0 C--O 1.248 0.986 0 CA-C-O 118.994 -0.527 . . . . 0.0 109.746 179.563 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' G' G ' 1' ' ' GLY . . . . . 0.682 ' O ' ' HB3' ' G' ' 5' ' ' GLN . . . . . . . . 0 N--CA 1.481 1.635 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 2' ' ' ILE . . . . . 0.414 HD11 HD11 ' H' ' 15' ' ' LEU . 13.0 tt -92.92 -11.5 9.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-O 121.515 0.674 . . . . 0.0 111.164 -178.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' G' G ' 3' ' ' VAL . . . . . 0.401 ' CG2' ' HA ' ' H' ' 28' ' ' PRO . 18.8 t -95.95 -87.71 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.138 -0.483 . . . . 0.0 112.028 -179.195 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' G' G ' 4' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -59.54 -40.97 88.94 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -178.063 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 5' ' ' GLN . . . . . 0.682 ' HB3' ' O ' ' G' ' 1' ' ' GLY . 20.7 tt0 -61.16 -31.7 71.43 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 121.107 -0.237 . . . . 0.0 110.674 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' G' G ' 6' ' ' CYS . . . . . . . . . . . . . 88.0 m -104.82 9.97 34.66 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -179.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 7' ' ' CYS . . . . . . . . . . . . . 17.1 t -132.62 39.24 3.37 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.524 0.678 . . . . 0.0 110.459 179.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -124.88 -45.96 1.86 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.462 178.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' G' G ' 9' ' ' SER . . . . . 0.423 ' O ' ' HB ' ' G' ' 10' ' ' ILE . 19.0 t -150.38 21.6 0.83 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.979 0.419 . . . . 0.0 110.259 179.387 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' G' G ' 10' ' ' ILE . . . . . 0.423 ' HB ' ' O ' ' G' ' 9' ' ' SER . 2.8 mp 73.54 125.51 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.53 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' G' G ' 11' ' ' CYS . . . . . . . . . . . . . 3.3 m -76.57 162.69 27.57 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.481 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 12' ' ' SER . . . . . . . . . . . . . 43.7 p -90.01 161.89 15.64 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.471 178.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 13' ' ' LEU . . . . . 0.948 HD11 HD11 ' A' ' 13' ' ' LEU . 3.0 tt -57.07 -41.15 78.28 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.15 -179.027 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -64.84 -35.29 80.64 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.074 -0.512 . . . . 0.0 112.088 -179.063 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -68.81 -40.45 79.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.989 0.423 . . . . 0.0 110.78 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 16' ' ' LEU . . . . . 0.4 ' HB3' HD23 ' H' ' 15' ' ' LEU . 86.6 mt -73.24 -22.68 60.37 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.859 -179.381 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' G' G ' 17' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -60.64 -32.71 71.86 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -178.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 18' ' ' ASN . . . . . . . . . . . . . 20.5 p30 -92.36 15.15 14.52 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.938 0.399 . . . . 0.0 111.573 -179.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 19' ' ' TYR . . . . . . . . . . . . . 15.4 m-30 -110.24 18.38 19.97 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.336 0.588 . . . . 0.0 110.242 179.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 20' ' ' CYS . . . . . . . . . . . . . 57.8 m -94.0 175.52 6.68 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.52 179.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 21' ' ' ASN . . . . . 0.525 ' HB2' ' HB3' ' H' ' 22' ' ' ARG . 4.7 m120 . . . . . 0 C--O 1.245 0.85 0 CA-C-O 118.75 -0.643 . . . . 0.0 109.676 178.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 1' ' ' PHE . . . . . . . . . . . . . 35.3 t80 . . . . . 0 N--CA 1.483 1.177 0 CA-C-O 120.766 0.317 . . . . 0.0 111.45 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' H' H ' 2' ' ' VAL . . . . . 0.414 HG13 ' O ' ' H' ' 2' ' ' VAL . 11.1 p -83.18 64.01 0.38 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 CA-C-O 122.616 1.198 . . . . 0.0 111.022 179.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' H' H ' 3' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -154.09 -51.15 0.09 Allowed 'General case' 0 C--O 1.215 -0.736 0 CA-C-N 114.899 -1.046 . . . . 0.0 108.466 178.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 4' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -49.34 -52.73 26.19 Favored 'General case' 0 N--CA 1.463 0.212 0 O-C-N 123.807 0.692 . . . . 0.0 111.8 179.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 5' ' ' HIS . . . . . 0.404 ' CE1' HD22 ' F' ' 17' ' ' LEU . 64.3 t60 -58.78 -40.48 84.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.861 0.363 . . . . 0.0 111.176 -179.576 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' H' H ' 6' ' ' LEU . . . . . . . . . . . . . 4.2 mt -77.81 -23.53 49.05 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.452 0.644 . . . . 0.0 110.215 -179.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 7' ' ' CYS . . . . . . . . . . . . . 42.2 t -76.02 -46.99 26.59 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 114.709 -1.132 . . . . 0.0 110.527 -179.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 8' ' ' GLY . . . . . 0.521 ' HA2' ' HG ' ' H' ' 11' ' ' LEU . . . -57.09 -32.36 62.87 Favored Glycine 0 N--CA 1.453 -0.206 0 CA-C-N 115.669 -0.696 . . . . 0.0 113.779 -179.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' H' H ' 9' ' ' SER . . . . . 0.501 ' HB2' ' HE1' ' L' ' 10' ' ' HIS . 0.7 OUTLIER -65.86 -2.25 3.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.988 0.423 . . . . 0.0 111.756 -179.667 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' H' H ' 10' ' ' HIS . . . . . 0.53 ' HE1' ' HB2' ' D' ' 9' ' ' SER . 92.2 m-70 -109.33 -35.88 6.16 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 178.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' H' H ' 11' ' ' LEU . . . . . 0.521 ' HG ' ' HA2' ' H' ' 8' ' ' GLY . 0.7 OUTLIER -66.52 -28.58 68.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.653 179.477 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' H' H ' 12' ' ' VAL . . . . . 0.665 ' O ' ' HB2' ' H' ' 16' ' ' TYR . 16.4 m -56.07 -49.17 77.19 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.633 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' H' H ' 13' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -55.82 -51.42 67.55 Favored 'General case' 0 N--CA 1.464 0.259 0 O-C-N 123.293 0.37 . . . . 0.0 111.235 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.47 -51.07 61.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.473 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 15' ' ' LEU . . . . . 0.414 HD11 HD11 ' G' ' 2' ' ' ILE . 75.8 mt -70.07 -32.88 71.18 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.44 0.638 . . . . 0.0 110.774 179.326 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' H' H ' 16' ' ' TYR . . . . . 0.665 ' HB2' ' O ' ' H' ' 12' ' ' VAL . 0.6 OUTLIER -67.8 -20.6 65.21 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.003 -179.158 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' H' H ' 17' ' ' LEU . . . . . 0.516 HD13 ' HA ' ' H' ' 17' ' ' LEU . 0.6 OUTLIER -88.99 -48.61 7.31 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 178.528 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 59.1 t -68.33 -45.22 82.91 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.326 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 19' ' ' CYS . . . . . . . . . . . . . 1.6 m -103.36 32.32 3.86 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.337 -179.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.89 -37.27 92.32 Favored Glycine 0 CA--C 1.519 0.29 0 CA-C-N 115.882 -0.599 . . . . 0.0 114.573 -178.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 21' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -92.12 7.61 41.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 117.151 0.476 . . . . 0.0 111.908 -178.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 22' ' ' ARG . . . . . 0.525 ' HB3' ' HB2' ' G' ' 21' ' ' ASN . 93.5 mtt180 -126.33 -79.38 0.6 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.691 0.758 . . . . 0.0 110.164 178.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' H' H ' 23' ' ' GLY . . . . . 0.417 ' HA3' ' HA ' ' F' ' 27' ' ' THR . . . 148.22 176.58 21.82 Favored Glycine 0 N--CA 1.44 -1.074 0 CA-C-N 114.467 -1.242 . . . . 0.0 110.211 -179.189 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' H' H ' 24' ' ' PHE . . . . . . . . . . . . . 19.2 p90 -141.73 142.92 33.29 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.19 0.519 . . . . 0.0 110.868 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 25' ' ' PHE . . . . . 0.402 ' H ' ' HD1' ' H' ' 25' ' ' PHE . 2.2 p90 -97.32 106.46 18.78 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 179.313 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' H' H ' 26' ' ' TYR . . . . . 0.447 ' CE2' ' HG3' ' H' ' 28' ' ' PRO . 39.0 t80 -98.17 96.24 7.96 Favored 'General case' 0 C--N 1.318 -0.773 0 C-N-CA 120.574 -0.45 . . . . 0.0 111.095 -178.475 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' H' H ' 27' ' ' THR . . . . . . . . . . . . . 37.0 m -115.01 98.08 49.43 Favored Pre-proline 0 C--N 1.319 -0.725 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.231 179.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 28' ' ' PRO . . . . . 0.447 ' HG3' ' CE2' ' H' ' 26' ' ' TYR . 15.7 Cg_exo -67.86 -19.98 45.99 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 123.153 2.568 . . . . 0.0 111.749 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' H' H ' 29' ' ' LYS . . . . . 0.412 ' HZ2' ' HB3' ' H' ' 29' ' ' LYS . 0.0 OUTLIER -68.92 113.05 5.98 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 179.483 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' H' H ' 30' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 C--O 1.249 1.037 0 CA-C-O 119.081 -0.485 . . . . 0.0 110.241 179.899 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' I' I ' 1' ' ' GLY . . . . . 0.717 ' O ' ' HB3' ' I' ' 5' ' ' GLN . . . . . . . . 0 N--CA 1.483 1.773 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 2' ' ' ILE . . . . . 0.408 HD11 ' CD1' ' J' ' 15' ' ' LEU . 13.5 tt -91.53 -12.18 9.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-O 121.138 0.494 . . . . 0.0 111.364 -178.561 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' I' I ' 3' ' ' VAL . . . . . 0.412 ' CG2' ' HA ' ' J' ' 28' ' ' PRO . 20.6 t -95.33 -86.72 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -179.234 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' I' I ' 4' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -60.32 -41.46 93.55 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 -178.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 5' ' ' GLN . . . . . 0.717 ' HB3' ' O ' ' I' ' 1' ' ' GLY . 21.1 tt0 -60.8 -31.43 70.81 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.553 0.216 . . . . 0.0 110.768 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' I' I ' 6' ' ' CYS . . . . . . . . . . . . . 89.1 m -104.92 9.9 34.47 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 7' ' ' CYS . . . . . . . . . . . . . 17.4 t -133.22 40.64 3.17 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.521 0.676 . . . . 0.0 110.468 179.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -125.86 -46.44 1.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.292 179.039 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' I' I ' 9' ' ' SER . . . . . 0.449 ' O ' ' HB ' ' I' ' 10' ' ' ILE . 14.1 t -150.35 21.57 0.84 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.0 179.29 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' I' I ' 10' ' ' ILE . . . . . 0.449 ' HB ' ' O ' ' I' ' 9' ' ' SER . 2.8 mp 74.04 127.22 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.269 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' I' I ' 11' ' ' CYS . . . . . . . . . . . . . 2.3 m -77.74 163.89 25.74 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.328 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 12' ' ' SER . . . . . . . . . . . . . 24.5 p -91.02 161.96 14.91 Favored 'General case' 0 N--CA 1.445 -0.71 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 178.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 13' ' ' LEU . . . . . 0.973 HD11 HD11 ' C' ' 13' ' ' LEU . 3.1 tt -57.24 -41.7 80.07 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.158 -179.003 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -64.13 -35.87 82.18 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.071 -0.513 . . . . 0.0 112.019 -179.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -68.12 -40.27 82.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.004 0.431 . . . . 0.0 110.891 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 16' ' ' LEU . . . . . 0.41 ' HB3' HD23 ' J' ' 15' ' ' LEU . 82.7 mt -73.89 -22.71 59.61 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.529 -179.136 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' I' I ' 17' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -60.33 -31.79 70.62 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -178.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 18' ' ' ASN . . . . . . . . . . . . . 20.0 p30 -93.12 13.33 21.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.941 0.401 . . . . 0.0 111.671 -179.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 19' ' ' TYR . . . . . . . . . . . . . 16.2 m-30 -109.12 19.18 19.79 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.176 0.513 . . . . 0.0 110.352 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 20' ' ' CYS . . . . . . . . . . . . . 59.1 m -94.9 175.66 6.56 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.195 179.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 21' ' ' ASN . . . . . 0.545 ' HB2' ' HB3' ' J' ' 22' ' ' ARG . 4.6 m120 . . . . . 0 C--O 1.246 0.885 0 CA-C-O 118.792 -0.623 . . . . 0.0 109.613 178.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 1' ' ' PHE . . . . . . . . . . . . . 36.8 t80 . . . . . 0 N--CA 1.48 1.028 0 CA-C-O 120.639 0.257 . . . . 0.0 111.073 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' J' J ' 2' ' ' VAL . . . . . 0.419 ' O ' HG13 ' J' ' 2' ' ' VAL . 13.1 p -81.86 63.12 0.31 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 CA-C-O 122.502 1.144 . . . . 0.0 110.977 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' J' J ' 3' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -153.44 -50.68 0.1 Allowed 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 178.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 4' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -49.76 -52.66 30.09 Favored 'General case' 0 N--CA 1.464 0.248 0 O-C-N 123.773 0.671 . . . . 0.0 111.814 179.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 5' ' ' HIS . . . . . 0.406 ' CE1' HD22 ' L' ' 17' ' ' LEU . 66.3 t60 -59.06 -39.76 83.07 Favored 'General case' 0 C--O 1.224 -0.284 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.071 -179.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' J' J ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 mt -78.52 -23.14 46.42 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.443 0.639 . . . . 0.0 110.138 -179.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 7' ' ' CYS . . . . . . . . . . . . . 38.7 t -76.12 -46.85 26.81 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.618 -1.174 . . . . 0.0 110.649 -179.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 8' ' ' GLY . . . . . 0.533 ' HA2' ' HG ' ' J' ' 11' ' ' LEU . . . -57.41 -32.07 63.75 Favored Glycine 0 N--CA 1.452 -0.24 0 CA-C-N 115.725 -0.67 . . . . 0.0 113.722 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' J' J ' 9' ' ' SER . . . . . 0.497 ' HB2' ' HE1' ' F' ' 10' ' ' HIS . 0.7 OUTLIER -66.18 -2.0 3.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.966 0.412 . . . . 0.0 111.698 -179.81 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' J' J ' 10' ' ' HIS . . . . . 0.497 ' HE1' ' HB2' ' B' ' 9' ' ' SER . 92.3 m-70 -109.35 -35.78 6.18 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 178.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' J' J ' 11' ' ' LEU . . . . . 0.533 ' HG ' ' HA2' ' J' ' 8' ' ' GLY . 0.7 OUTLIER -66.81 -28.43 68.36 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.685 179.64 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' J' J ' 12' ' ' VAL . . . . . 0.667 ' O ' ' HB2' ' J' ' 16' ' ' TYR . 16.8 m -56.16 -48.63 78.95 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.587 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.867 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' J' J ' 13' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -56.07 -51.73 66.8 Favored 'General case' 0 N--CA 1.465 0.297 0 O-C-N 123.243 0.34 . . . . 0.0 111.003 179.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.14 -51.57 57.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.353 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 15' ' ' LEU . . . . . 0.41 HD23 ' HB3' ' I' ' 16' ' ' LEU . 74.9 mt -69.88 -32.52 70.91 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.449 0.642 . . . . 0.0 110.822 179.48 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' J' J ' 16' ' ' TYR . . . . . 0.667 ' HB2' ' O ' ' J' ' 12' ' ' VAL . 0.6 OUTLIER -68.09 -19.94 64.89 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.06 -179.161 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' J' J ' 17' ' ' LEU . . . . . 0.51 ' HA ' HD13 ' J' ' 17' ' ' LEU . 0.5 OUTLIER -89.62 -48.24 7.42 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 178.481 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 61.6 t -69.26 -43.32 81.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.288 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 m -105.28 32.73 4.06 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.021 -179.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.33 -35.07 90.39 Favored Glycine 0 CA--C 1.519 0.299 0 CA-C-N 115.852 -0.613 . . . . 0.0 114.62 -178.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 21' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -92.63 4.78 52.99 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 117.515 0.657 . . . . 0.0 111.885 -178.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 22' ' ' ARG . . . . . 0.545 ' HB3' ' HB2' ' I' ' 21' ' ' ASN . 94.4 mtt180 -124.14 -78.7 0.6 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.734 0.778 . . . . 0.0 110.4 179.11 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' J' J ' 23' ' ' GLY . . . . . 0.43 ' HA3' ' HA ' ' L' ' 27' ' ' THR . . . 147.79 176.28 21.23 Favored Glycine 0 N--CA 1.44 -1.068 0 CA-C-N 114.413 -1.267 . . . . 0.0 110.181 -179.15 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' J' J ' 24' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -141.3 142.79 33.83 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.294 0.569 . . . . 0.0 110.97 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 25' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -97.09 106.05 18.31 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 179.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 26' ' ' TYR . . . . . 0.442 ' CE2' ' HG3' ' J' ' 28' ' ' PRO . 38.9 t80 -97.82 96.21 8.06 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 120.493 -0.483 . . . . 0.0 111.108 -178.334 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' J' J ' 27' ' ' THR . . . . . 0.411 ' HA ' ' HA3' ' L' ' 23' ' ' GLY . 46.0 m -115.19 97.7 48.76 Favored Pre-proline 0 C--N 1.321 -0.662 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.411 179.535 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' J' J ' 28' ' ' PRO . . . . . 0.442 ' HG3' ' CE2' ' J' ' 26' ' ' TYR . 16.7 Cg_exo -67.17 -19.94 50.25 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 123.281 2.654 . . . . 0.0 111.735 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' J' J ' 29' ' ' LYS . . . . . 0.433 ' HZ2' ' HB3' ' J' ' 29' ' ' LYS . 0.0 OUTLIER -69.5 112.72 6.21 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 179.394 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' J' J ' 30' ' ' THR . . . . . . . . . . . . . 1.4 p . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.932 -0.556 . . . . 0.0 110.548 179.979 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' K' K ' 1' ' ' GLY . . . . . 0.699 ' O ' ' HB3' ' K' ' 5' ' ' GLN . . . . . . . . 0 N--CA 1.485 1.912 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' K' K ' 2' ' ' ILE . . . . . 0.406 HD11 ' CD1' ' L' ' 15' ' ' LEU . 12.5 tt -93.14 -11.21 9.24 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 O-C-N 122.36 -0.494 . . . . 0.0 111.132 -178.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' K' K ' 3' ' ' VAL . . . . . 0.415 ' CG2' ' HA ' ' L' ' 28' ' ' PRO . 20.6 t -96.91 -85.65 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -179.373 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' K' K ' 4' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -60.9 -41.09 95.41 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -177.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' K' K ' 5' ' ' GLN . . . . . 0.699 ' HB3' ' O ' ' K' ' 1' ' ' GLY . 21.9 tt0 -61.22 -32.72 72.5 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.552 0.215 . . . . 0.0 110.681 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' K' K ' 6' ' ' CYS . . . . . . . . . . . . . 89.3 m -104.09 10.23 36.05 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.362 0.505 . . . . 0.0 112.362 -179.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' K' K ' 7' ' ' CYS . . . . . . . . . . . . . 17.6 t -133.13 39.96 3.24 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.541 0.686 . . . . 0.0 110.214 179.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' K' K ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -125.35 -45.35 1.82 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.459 178.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' K' K ' 9' ' ' SER . . . . . 0.437 ' O ' ' HB ' ' K' ' 10' ' ' ILE . 14.8 t -151.14 22.18 0.75 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.994 0.426 . . . . 0.0 109.884 179.231 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' K' K ' 10' ' ' ILE . . . . . 0.437 ' HB ' ' O ' ' K' ' 9' ' ' SER . 2.8 mp 72.82 126.2 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.307 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' K' K ' 11' ' ' CYS . . . . . . . . . . . . . 2.3 m -76.83 163.75 26.48 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.594 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' K' K ' 12' ' ' SER . . . . . . . . . . . . . 46.9 p -91.75 160.61 15.25 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.565 178.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' K' K ' 13' ' ' LEU . . . . . 0.936 HD11 HD11 ' E' ' 13' ' ' LEU . 2.9 tt -55.25 -42.2 73.17 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.397 -178.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -64.21 -35.48 80.95 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.19 -0.459 . . . . 0.0 112.033 -179.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -68.79 -39.3 80.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.985 0.421 . . . . 0.0 111.103 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' K' K ' 16' ' ' LEU . . . . . 0.413 ' HB3' HD23 ' L' ' 15' ' ' LEU . 84.4 mt -74.33 -22.68 59.13 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.532 -179.398 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' K' K ' 17' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -60.06 -33.4 72.0 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -178.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' K' K ' 18' ' ' ASN . . . . . . . . . . . . . 20.7 p30 -91.37 12.6 19.98 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.919 0.39 . . . . 0.0 111.659 -179.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' K' K ' 19' ' ' TYR . . . . . . . . . . . . . 16.1 m-30 -107.81 18.44 21.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.326 0.584 . . . . 0.0 110.52 179.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' K' K ' 20' ' ' CYS . . . . . . . . . . . . . 57.4 m -93.87 175.53 6.69 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.531 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' K' K ' 21' ' ' ASN . . . . . 0.549 ' HB2' ' HB3' ' L' ' 22' ' ' ARG . 4.8 m120 . . . . . 0 C--O 1.246 0.887 0 CA-C-O 118.613 -0.708 . . . . 0.0 110.047 178.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' L' L ' 1' ' ' PHE . . . . . . . . . . . . . 37.2 t80 . . . . . 0 N--CA 1.482 1.162 0 CA-C-O 120.831 0.348 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' L' L ' 2' ' ' VAL . . . . . 0.4 ' O ' HG13 ' L' ' 2' ' ' VAL . 10.4 p -81.69 63.6 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 CA-C-O 122.341 1.067 . . . . 0.0 111.236 179.633 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' L' L ' 3' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -154.3 -51.34 0.09 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.927 -1.033 . . . . 0.0 108.415 178.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' L' L ' 4' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -49.28 -52.22 28.88 Favored 'General case' 0 N--CA 1.464 0.242 0 O-C-N 123.814 0.696 . . . . 0.0 111.828 179.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' L' L ' 5' ' ' HIS . . . . . 0.425 ' CE1' HD22 ' J' ' 17' ' ' LEU . 66.0 t60 -59.35 -39.48 83.37 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-O 120.783 0.325 . . . . 0.0 111.211 -179.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' L' L ' 6' ' ' LEU . . . . . . . . . . . . . 4.5 mt -78.94 -23.36 44.69 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.623 0.725 . . . . 0.0 110.032 -178.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' L' L ' 7' ' ' CYS . . . . . . . . . . . . . 37.5 t -75.93 -47.14 26.39 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.587 -1.188 . . . . 0.0 110.478 -179.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' L' L ' 8' ' ' GLY . . . . . 0.533 ' HA2' ' HG ' ' L' ' 11' ' ' LEU . . . -57.0 -31.87 61.96 Favored Glycine 0 C--N 1.331 0.277 0 CA-C-N 115.773 -0.649 . . . . 0.0 113.821 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' L' L ' 9' ' ' SER . . . . . 0.518 ' HB2' ' HE1' ' D' ' 10' ' ' HIS . 0.7 OUTLIER -66.58 -0.65 2.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.919 0.39 . . . . 0.0 111.822 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' L' L ' 10' ' ' HIS . . . . . 0.501 ' HE1' ' HB2' ' H' ' 9' ' ' SER . 91.6 m-70 -110.8 -36.22 5.76 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 178.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' L' L ' 11' ' ' LEU . . . . . 0.533 ' HG ' ' HA2' ' L' ' 8' ' ' GLY . 0.6 OUTLIER -66.25 -28.28 68.6 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.784 179.471 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' L' L ' 12' ' ' VAL . . . . . 0.657 ' O ' ' HB2' ' L' ' 16' ' ' TYR . 16.5 m -56.39 -48.79 79.35 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.703 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.871 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' L' L ' 13' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 -56.24 -51.14 69.18 Favored 'General case' 0 N--CA 1.465 0.322 0 O-C-N 123.252 0.345 . . . . 0.0 111.202 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' L' L ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.67 -50.63 62.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.437 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' L' L ' 15' ' ' LEU . . . . . 0.413 HD23 ' HB3' ' K' ' 16' ' ' LEU . 76.1 mt -70.54 -33.05 70.72 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.308 0.575 . . . . 0.0 110.715 179.32 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' L' L ' 16' ' ' TYR . . . . . 0.657 ' HB2' ' O ' ' L' ' 12' ' ' VAL . 0.6 OUTLIER -67.87 -19.37 65.02 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.518 -0.764 . . . . 0.0 111.25 -179.273 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' L' L ' 17' ' ' LEU . . . . . 0.52 ' HA ' HD13 ' L' ' 17' ' ' LEU . 0.5 OUTLIER -90.15 -48.47 7.15 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 178.456 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 56.5 t -68.93 -44.58 81.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.135 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' L' L ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 m -104.5 33.56 3.49 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.342 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' L' L ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.91 -36.21 92.49 Favored Glycine 0 CA--C 1.518 0.259 0 CA-C-N 116.005 -0.543 . . . . 0.0 114.439 -178.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' L' L ' 21' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -92.09 7.78 40.81 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 117.198 0.499 . . . . 0.0 111.946 -178.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' L' L ' 22' ' ' ARG . . . . . 0.549 ' HB3' ' HB2' ' K' ' 21' ' ' ASN . 93.4 mtt180 -127.2 -79.28 0.59 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.659 0.743 . . . . 0.0 110.021 178.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' L' L ' 23' ' ' GLY . . . . . 0.411 ' HA3' ' HA ' ' J' ' 27' ' ' THR . . . 148.06 176.1 21.29 Favored Glycine 0 N--CA 1.44 -1.085 0 CA-C-N 114.374 -1.285 . . . . 0.0 110.152 -179.221 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' L' L ' 24' ' ' PHE . . . . . . . . . . . . . 19.2 p90 -141.03 143.05 34.18 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.357 0.599 . . . . 0.0 110.912 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' L' L ' 25' ' ' PHE . . . . . 0.418 ' H ' ' HD1' ' L' ' 25' ' ' PHE . 1.9 p90 -97.21 105.7 17.9 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 179.315 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' L' L ' 26' ' ' TYR . . . . . 0.429 ' CE2' ' HG3' ' L' ' 28' ' ' PRO . 39.3 t80 -97.7 96.54 8.33 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 120.586 -0.446 . . . . 0.0 111.146 -178.52 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' L' L ' 27' ' ' THR . . . . . 0.43 ' HA ' ' HA3' ' J' ' 23' ' ' GLY . 34.7 m -115.26 98.22 50.02 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.371 179.597 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' L' L ' 28' ' ' PRO . . . . . 0.429 ' HG3' ' CE2' ' L' ' 26' ' ' TYR . 16.5 Cg_exo -67.8 -20.88 45.34 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 123.046 2.498 . . . . 0.0 111.643 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' L' L ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 179.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.296 0 CA-C-O 119.796 -0.447 . . . . 0.0 112.968 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.857 HG23 ' H ' ' A' ' 3' ' ' VAL . 9.0 tt 32.19 -89.65 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 C-N-CA 125.063 1.345 . . . . 0.0 114.22 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.857 ' H ' HG23 ' A' ' 2' ' ' ILE . 4.6 t -56.1 -54.59 25.54 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.093 0 CA-C-O 120.849 0.357 . . . . 0.0 111.098 -178.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -59.02 -38.35 79.04 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.635 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -63.69 -47.28 81.8 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.377 -0.828 . . . . 0.0 111.9 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 76.4 m -83.38 -16.03 47.58 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 -177.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.4 t -77.65 -6.92 55.5 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 120.909 0.385 . . . . 0.0 110.725 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.2 p -68.6 -63.63 1.02 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.706 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.497 ' O ' ' HB ' ' A' ' 10' ' ' ILE . 11.9 t -158.69 35.49 0.22 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.328 -179.606 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.497 ' HB ' ' O ' ' A' ' 9' ' ' SER . 2.4 mp 74.01 139.81 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.946 179.534 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 80.4 m -103.66 175.49 5.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.542 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.498 ' HB3' ' HG3' ' A' ' 15' ' ' GLN . 40.5 t -78.98 147.87 32.77 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 177.235 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.9 tt -60.24 -34.98 74.45 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.996 0.427 . . . . 0.0 110.653 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -64.79 -27.1 68.66 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.335 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.498 ' HG3' ' HB3' ' A' ' 12' ' ' SER . 22.4 mt-30 -77.53 -34.56 53.91 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.921 0.391 . . . . 0.0 110.628 179.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.508 ' HB3' HD23 ' B' ' 15' ' ' LEU . 79.9 mt -66.67 -31.95 72.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.234 179.7 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -58.73 -32.05 68.86 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.853 179.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 57.8 m-20 -73.52 -14.48 61.22 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.434 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -101.93 4.55 40.17 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.925 0.393 . . . . 0.0 110.751 -178.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 18.5 t -91.15 160.94 15.3 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.112 -179.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.446 ' C ' HH21 ' B' ' 22' ' ' ARG . 21.8 t-20 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.534 -0.746 . . . . 0.0 109.847 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 51.5 t80 . . . . . 0 N--CA 1.484 1.253 0 N-CA-C 111.165 0.061 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . 0.427 HG13 ' SG ' ' J' ' 7' ' ' CYS . 20.2 m 49.17 -157.53 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 124.255 1.022 . . . . 0.0 112.565 -179.032 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -137.28 175.37 9.67 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.601 0.239 . . . . 0.0 110.778 -178.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . 0.77 ' HA ' ' HB3' ' B' ' 7' ' ' CYS . 6.1 tt0 -50.41 -30.26 12.06 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 124.084 0.954 . . . . 0.0 110.414 178.599 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 77.6 t60 -48.05 -44.83 31.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.046 179.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.411 ' HG ' HD11 ' I' ' 10' ' ' ILE . 79.3 mt -94.94 -30.05 14.34 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 121.325 0.583 . . . . 0.0 110.504 179.583 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . 0.77 ' HB3' ' HA ' ' B' ' 4' ' ' GLN . 33.0 t -60.25 -38.83 84.7 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.097 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . 0.488 ' HA3' ' OH ' ' B' ' 26' ' ' TYR . . . -69.88 -19.46 75.25 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 121.097 -0.573 . . . . 0.0 113.775 -179.649 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . 1.034 ' HB2' ' HG2' ' D' ' 13' ' ' GLU . 10.1 p -65.85 -18.88 65.64 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 117.446 0.623 . . . . 0.0 110.534 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -104.59 -19.83 13.86 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.337 -179.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.457 HD12 HG13 ' A' ' 3' ' ' VAL . 44.8 mt -72.59 -34.23 67.27 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 177.086 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.797 HG21 HG21 ' D' ' 12' ' ' VAL . 30.0 m -68.25 -29.9 45.95 Favored 'Isoleucine or valine' 0 C--O 1.232 0.142 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.487 178.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 1.091 ' HG2' ' HB2' ' D' ' 9' ' ' SER . 48.5 mt-10 -60.8 -32.76 72.11 Favored 'General case' 0 CA--C 1.522 -0.126 0 CA-C-O 121.428 0.632 . . . . 0.0 109.581 179.693 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . 0.465 ' O ' HG23 ' B' ' 18' ' ' VAL . . . -84.42 -36.23 22.53 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.911 178.124 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.508 HD23 ' HB3' ' A' ' 16' ' ' LEU . 15.9 mt -57.41 -54.89 41.68 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.738 179.701 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . 0.805 ' CE2' ' HA ' ' B' ' 13' ' ' GLU . 1.7 p90 -65.33 -24.25 67.21 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 120.356 -0.537 . . . . 0.0 110.805 -179.147 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 2.6 tt -69.76 -39.22 76.83 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 109.711 -0.478 . . . . 0.0 109.711 -179.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.465 HG23 ' O ' ' B' ' 14' ' ' ALA . 58.9 t -69.17 -36.4 72.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 178.087 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . 0.808 ' HB3' ' HB2' ' B' ' 22' ' ' ARG . 84.1 m -69.77 -37.58 76.44 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.319 179.378 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.77 -87.18 1.24 Allowed Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.681 -0.771 . . . . 0.0 111.24 -179.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.519 ' HG2' ' HD2' ' D' ' 29' ' ' LYS . 17.6 tt0 -120.61 33.68 5.49 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.859 0.838 . . . . 0.0 109.401 178.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . 0.808 ' HB2' ' HB3' ' B' ' 19' ' ' CYS . 78.2 mtp180 -121.03 170.84 9.13 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.921 179.559 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -111.18 -175.97 20.3 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.752 -0.737 . . . . 0.0 111.822 179.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . 0.554 ' HE2' ' HB3' ' B' ' 16' ' ' TYR . 13.3 p90 -158.67 163.23 37.07 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.001 0.429 . . . . 0.0 110.739 179.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 13.7 m-30 -100.05 111.31 23.61 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 178.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.515 ' HB2' ' HE1' ' B' ' 24' ' ' PHE . 64.9 t80 -100.74 112.2 24.56 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.883 0.373 . . . . 0.0 111.454 -178.593 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 4.0 p -125.37 95.88 40.17 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.947 178.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -78.03 46.22 2.02 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 123.012 2.475 . . . . 0.0 112.51 -179.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.603 ' HD2' ' HG2' ' D' ' 21' ' ' GLU . 45.6 tttm -163.65 147.72 10.43 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.461 -0.791 . . . . 0.0 109.602 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 18.1 m . . . . . 0 C--O 1.253 1.275 0 CA-C-O 118.01 -0.995 . . . . 0.0 108.907 178.751 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.94 0 CA-C-O 119.97 -0.35 . . . . 0.0 112.442 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 2' ' ' ILE . . . . . 0.833 HG23 ' H ' ' C' ' 3' ' ' VAL . 8.8 tt 31.02 -88.9 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 125.239 1.416 . . . . 0.0 114.351 -179.732 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 3' ' ' VAL . . . . . 0.833 ' H ' HG23 ' C' ' 2' ' ' ILE . 4.1 t -56.61 -54.58 27.06 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.13 0 CA-C-O 121.049 0.452 . . . . 0.0 111.085 -178.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -59.56 -35.25 73.88 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.858 179.228 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 5' ' ' GLN . . . . . 0.403 ' HG2' ' SG ' ' C' ' 11' ' ' CYS . 23.7 tt0 -67.43 -47.04 71.37 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.644 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 73.1 m -83.53 -15.91 47.54 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 -177.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 7' ' ' CYS . . . . . 0.4 ' HB2' HD11 ' D' ' 11' ' ' LEU . 42.3 t -77.51 -6.49 53.78 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.014 0.435 . . . . 0.0 110.476 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 40.8 p -68.36 -65.47 0.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.263 179.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 9' ' ' SER . . . . . 0.488 ' O ' ' HB ' ' C' ' 10' ' ' ILE . 9.6 t -157.86 36.31 0.26 Allowed 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.234 -179.636 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . 0.488 ' HB ' ' O ' ' C' ' 9' ' ' SER . 2.3 mp 74.45 140.28 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.647 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.987 179.363 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 11' ' ' CYS . . . . . 0.403 ' SG ' ' HG2' ' C' ' 5' ' ' GLN . 75.7 m -103.62 176.59 5.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.376 179.667 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . 0.496 ' HB3' ' HG3' ' C' ' 15' ' ' GLN . 35.6 t -80.6 147.91 30.53 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 177.069 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 10.1 tt -59.95 -34.05 72.74 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.929 0.395 . . . . 0.0 110.607 -179.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -65.6 -26.78 67.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.314 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . 0.496 ' HG3' ' HB3' ' C' ' 12' ' ' SER . 22.5 mt-30 -77.73 -34.97 52.36 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.957 0.408 . . . . 0.0 110.675 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 16' ' ' LEU . . . . . 0.515 ' HB3' HD23 ' D' ' 15' ' ' LEU . 78.0 mt -66.25 -31.76 72.77 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.258 179.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 -58.64 -32.71 69.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.933 179.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 61.6 m-20 -73.05 -13.38 61.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.541 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 9.3 m-30 -102.94 3.61 36.57 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.054 0.454 . . . . 0.0 110.608 -178.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 18.3 t -90.65 158.06 17.13 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.076 -179.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 21' ' ' ASN . . . . . 0.452 ' C ' HH21 ' D' ' 22' ' ' ARG . 22.4 t-20 . . . . . 0 C--O 1.247 0.968 0 CA-C-O 118.617 -0.706 . . . . 0.0 109.942 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 51.2 t80 . . . . . 0 N--CA 1.484 1.24 0 CA-C-O 120.263 0.078 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' D' D ' 2' ' ' VAL . . . . . 0.417 HG13 ' SG ' ' H' ' 7' ' ' CYS . 21.9 m 48.38 -157.78 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 124.447 1.099 . . . . 0.0 112.6 -178.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 3' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -136.98 174.67 10.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 122.293 -0.254 . . . . 0.0 110.674 -178.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 4' ' ' GLN . . . . . 0.772 ' HA ' ' HB3' ' D' ' 7' ' ' CYS . 6.1 tt0 -50.58 -29.09 9.97 Favored 'General case' 0 C--N 1.333 -0.129 0 C-N-CA 124.09 0.956 . . . . 0.0 110.505 178.691 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 5' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -49.21 -43.95 42.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.241 -0.89 . . . . 0.0 111.128 178.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 6' ' ' LEU . . . . . 0.408 ' HG ' HD11 ' G' ' 10' ' ' ILE . 78.1 mt -95.92 -29.72 14.02 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.44 0.638 . . . . 0.0 110.542 179.412 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 7' ' ' CYS . . . . . 0.772 ' HB3' ' HA ' ' D' ' 4' ' ' GLN . 30.6 t -60.29 -38.98 85.29 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.094 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 8' ' ' GLY . . . . . 0.487 ' HA3' ' OH ' ' D' ' 26' ' ' TYR . . . -69.56 -20.1 75.28 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 121.213 -0.518 . . . . 0.0 113.807 -179.61 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 9' ' ' SER . . . . . 1.091 ' HB2' ' HG2' ' B' ' 13' ' ' GLU . 10.4 p -65.44 -18.85 65.63 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 117.332 0.566 . . . . 0.0 110.648 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 10' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -104.51 -19.93 13.86 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.268 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 11' ' ' LEU . . . . . 0.452 HD12 HG13 ' C' ' 3' ' ' VAL . 44.1 mt -72.46 -34.11 67.5 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 177.161 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 12' ' ' VAL . . . . . 0.797 HG21 HG21 ' B' ' 12' ' ' VAL . 26.7 m -68.25 -29.97 46.18 Favored 'Isoleucine or valine' 0 C--O 1.231 0.08 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.449 178.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 13' ' ' GLU . . . . . 1.034 ' HG2' ' HB2' ' B' ' 9' ' ' SER . 48.4 mt-10 -60.72 -32.79 72.03 Favored 'General case' 0 CA--C 1.522 -0.119 0 CA-C-O 121.369 0.604 . . . . 0.0 109.536 179.624 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 14' ' ' ALA . . . . . 0.446 ' O ' HG23 ' D' ' 18' ' ' VAL . . . -84.51 -35.75 22.68 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.886 178.153 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 15' ' ' LEU . . . . . 0.515 HD23 ' HB3' ' C' ' 16' ' ' LEU . 15.7 mt -58.06 -54.58 45.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.728 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 16' ' ' TYR . . . . . 0.784 ' CE2' ' HA ' ' D' ' 13' ' ' GLU . 1.8 p90 -65.4 -24.48 67.22 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.806 -179.113 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 tt -69.05 -41.33 77.77 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 -179.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . 0.446 HG23 ' O ' ' D' ' 14' ' ' ALA . 57.5 t -66.94 -37.31 79.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.589 0.709 . . . . 0.0 109.266 178.218 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 19' ' ' CYS . . . . . 0.791 ' HB3' ' HB2' ' D' ' 22' ' ' ARG . 85.9 m -69.01 -38.04 79.01 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.168 -0.924 . . . . 0.0 111.348 179.596 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.11 -88.69 1.28 Allowed Glycine 0 N--CA 1.449 -0.461 0 N-CA-C 111.108 -0.797 . . . . 0.0 111.108 -178.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 21' ' ' GLU . . . . . 0.603 ' HG2' ' HD2' ' B' ' 29' ' ' LYS . 18.5 tt0 -119.11 35.05 4.96 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.813 0.816 . . . . 0.0 109.379 178.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 22' ' ' ARG . . . . . 0.791 ' HB2' ' HB3' ' D' ' 19' ' ' CYS . 79.2 mtp180 -122.35 169.11 11.27 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.8 179.628 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 23' ' ' GLY . . . . . . . . . . . . . . . -109.88 -176.67 21.07 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 121.025 -0.607 . . . . 0.0 111.81 179.14 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 24' ' ' PHE . . . . . 0.558 ' HE2' ' HB3' ' D' ' 16' ' ' TYR . 12.6 p90 -158.51 162.87 37.49 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.06 0.457 . . . . 0.0 110.904 179.667 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 25' ' ' PHE . . . . . . . . . . . . . 13.4 m-30 -99.29 110.17 22.72 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 179.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 26' ' ' TYR . . . . . 0.517 ' HB2' ' HE1' ' D' ' 24' ' ' PHE . 66.3 t80 -99.76 112.99 25.19 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.875 0.369 . . . . 0.0 111.537 -178.784 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 27' ' ' THR . . . . . . . . . . . . . 3.4 p -126.18 95.23 39.46 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.015 179.244 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 28' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -77.9 48.0 2.51 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 123.118 2.545 . . . . 0.0 112.167 -179.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 29' ' ' LYS . . . . . 0.519 ' HD2' ' HG2' ' B' ' 21' ' ' GLU . 44.5 tttm -165.82 146.86 6.9 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.545 179.748 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 9.9 m . . . . . 0 C--O 1.253 1.266 0 CA-C-O 117.734 -1.126 . . . . 0.0 108.553 178.619 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.07 0 CA-C-O 119.716 -0.491 . . . . 0.0 112.348 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' E' E ' 2' ' ' ILE . . . . . 0.837 HG23 ' H ' ' E' ' 3' ' ' VAL . 8.6 tt 33.75 -89.88 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.746 0 C-N-CA 124.841 1.256 . . . . 0.0 114.157 -179.611 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 3' ' ' VAL . . . . . 0.837 ' H ' HG23 ' E' ' 2' ' ' ILE . 4.1 t -56.03 -54.74 23.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.804 0.335 . . . . 0.0 111.116 -178.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 4' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -58.7 -37.99 77.3 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.708 179.087 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -64.25 -48.58 75.24 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.818 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 6' ' ' CYS . . . . . . . . . . . . . 73.2 m -82.08 -16.52 49.79 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 -177.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 7' ' ' CYS . . . . . . . . . . . . . 42.6 t -77.17 -7.08 55.24 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.687 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 47.1 p -67.96 -64.16 0.92 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.503 179.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 9' ' ' SER . . . . . 0.504 ' O ' ' HB ' ' E' ' 10' ' ' ILE . 10.8 t -158.81 35.85 0.22 Allowed 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.337 -179.683 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 10' ' ' ILE . . . . . 0.504 ' HB ' ' O ' ' E' ' 9' ' ' SER . 2.4 mp 74.61 139.89 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 CA-C-O 121.341 0.591 . . . . 0.0 111.956 179.445 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 11' ' ' CYS . . . . . . . . . . . . . 77.2 m -103.05 176.9 4.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.499 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 12' ' ' SER . . . . . 0.452 ' HB3' ' HG3' ' E' ' 15' ' ' GLN . 36.6 t -82.03 146.12 29.86 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 177.188 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 10.1 tt -57.84 -34.51 69.78 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.936 0.398 . . . . 0.0 110.774 -179.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -65.56 -25.89 67.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.454 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 15' ' ' GLN . . . . . 0.452 ' HG3' ' HB3' ' E' ' 12' ' ' SER . 22.8 mt-30 -78.74 -35.16 45.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.838 0.352 . . . . 0.0 110.456 179.761 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 16' ' ' LEU . . . . . 0.504 ' HB3' HD23 ' F' ' 15' ' ' LEU . 80.0 mt -65.86 -31.93 73.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.38 179.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 17' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -58.9 -32.3 69.41 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.86 179.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 18' ' ' ASN . . . . . . . . . . . . . 56.6 m-20 -73.42 -14.18 61.21 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.404 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 19' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -102.37 5.59 39.85 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.169 0.509 . . . . 0.0 110.673 -178.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 20' ' ' CYS . . . . . . . . . . . . . 17.9 t -91.94 160.53 15.22 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.895 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 21' ' ' ASN . . . . . 0.416 ' C ' HH21 ' F' ' 22' ' ' ARG . 22.7 t-20 . . . . . 0 C--O 1.244 0.776 0 CA-C-O 118.518 -0.753 . . . . 0.0 110.282 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 1' ' ' PHE . . . . . . . . . . . . . 50.0 t80 . . . . . 0 N--CA 1.483 1.208 0 CA-C-O 120.392 0.139 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' F' F ' 2' ' ' VAL . . . . . 0.418 HG13 ' SG ' ' B' ' 7' ' ' CYS . 22.7 m 49.24 -156.04 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 124.431 1.093 . . . . 0.0 112.637 -179.039 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 3' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -138.76 174.76 10.19 Favored 'General case' 0 C--N 1.322 -0.592 0 O-C-N 122.292 -0.255 . . . . 0.0 110.577 -177.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 4' ' ' GLN . . . . . 0.761 ' HA ' ' HB3' ' F' ' 7' ' ' CYS . 5.9 tt0 -50.52 -29.64 11.04 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 123.966 0.906 . . . . 0.0 110.449 178.614 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 5' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -48.79 -43.98 38.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.119 179.123 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 6' ' ' LEU . . . . . . . . . . . . . 79.1 mt -95.9 -29.55 14.13 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.268 0.556 . . . . 0.0 110.525 179.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 7' ' ' CYS . . . . . 0.761 ' HB3' ' HA ' ' F' ' 4' ' ' GLN . 31.3 t -60.51 -38.81 85.56 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.092 179.751 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 8' ' ' GLY . . . . . 0.495 ' HA3' ' OH ' ' F' ' 26' ' ' TYR . . . -69.68 -19.94 75.32 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 121.229 -0.51 . . . . 0.0 113.805 -179.673 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 9' ' ' SER . . . . . 1.051 ' HB2' ' HG2' ' H' ' 13' ' ' GLU . 10.6 p -65.6 -19.1 65.78 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 117.486 0.643 . . . . 0.0 110.599 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 10' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -104.29 -20.05 13.89 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.376 -179.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 11' ' ' LEU . . . . . 0.457 HD12 HG13 ' E' ' 3' ' ' VAL . 43.5 mt -72.56 -34.1 67.27 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 177.258 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 12' ' ' VAL . . . . . 0.796 HG21 HG21 ' H' ' 12' ' ' VAL . 26.7 m -68.28 -30.02 46.31 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.506 178.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 13' ' ' GLU . . . . . 1.042 ' HG2' ' HB2' ' H' ' 9' ' ' SER . 48.2 mt-10 -60.57 -32.81 71.88 Favored 'General case' 0 CA--C 1.521 -0.145 0 CA-C-O 121.466 0.65 . . . . 0.0 109.614 179.524 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 14' ' ' ALA . . . . . 0.45 ' O ' HG23 ' F' ' 18' ' ' VAL . . . -84.41 -35.8 22.86 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.946 178.144 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 15' ' ' LEU . . . . . 0.504 HD23 ' HB3' ' E' ' 16' ' ' LEU . 15.8 mt -58.04 -54.68 44.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.734 179.761 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 16' ' ' TYR . . . . . 0.794 ' CE2' ' HA ' ' F' ' 13' ' ' GLU . 1.8 p90 -65.43 -23.81 67.03 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.34 -0.544 . . . . 0.0 110.82 -179.124 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 2.4 tt -69.82 -41.12 75.4 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 -179.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . 0.45 HG23 ' O ' ' F' ' 14' ' ' ALA . 57.9 t -67.18 -36.71 77.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.562 0.696 . . . . 0.0 109.235 178.405 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 19' ' ' CYS . . . . . 0.787 ' HB3' ' HB2' ' F' ' 22' ' ' ARG . 84.7 m -69.89 -36.82 75.74 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.159 -0.928 . . . . 0.0 111.52 179.601 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.08 -88.8 1.18 Allowed Glycine 0 N--CA 1.448 -0.565 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -178.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 21' ' ' GLU . . . . . 0.575 ' HG2' ' HD2' ' H' ' 29' ' ' LYS . 18.4 tt0 -119.16 35.01 4.98 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.759 0.79 . . . . 0.0 109.283 179.152 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 22' ' ' ARG . . . . . 0.787 ' HB2' ' HB3' ' F' ' 19' ' ' CYS . 79.6 mtp180 -122.36 169.1 11.29 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.796 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 23' ' ' GLY . . . . . . . . . . . . . . . -109.7 -176.58 21.16 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.862 -0.685 . . . . 0.0 111.836 179.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 24' ' ' PHE . . . . . 0.558 ' HE2' ' HB3' ' F' ' 16' ' ' TYR . 12.5 p90 -158.83 162.44 37.0 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.047 0.451 . . . . 0.0 110.951 179.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 25' ' ' PHE . . . . . . . . . . . . . 13.3 m-30 -99.27 110.26 22.81 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 179.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 26' ' ' TYR . . . . . 0.503 ' HB2' ' HE1' ' F' ' 24' ' ' PHE . 65.3 t80 -100.08 112.58 24.88 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.846 0.355 . . . . 0.0 111.488 -178.667 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 27' ' ' THR . . . . . . . . . . . . . 6.3 p -125.46 95.79 40.12 Favored Pre-proline 0 C--N 1.321 -0.644 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.027 179.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 28' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -78.07 46.57 2.11 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.893 2.395 . . . . 0.0 112.433 -179.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 29' ' ' LYS . . . . . 0.573 ' HD2' ' HG2' ' H' ' 21' ' ' GLU . 44.9 tttm -164.45 147.14 8.88 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.501 179.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 30' ' ' THR . . . . . . . . . . . . . 13.7 m . . . . . 0 C--O 1.252 1.22 0 CA-C-O 118.031 -0.985 . . . . 0.0 108.838 178.914 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' G' G ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.08 0 CA-C-O 119.788 -0.451 . . . . 0.0 112.552 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' G' G ' 2' ' ' ILE . . . . . 0.839 HG23 ' H ' ' G' ' 3' ' ' VAL . 8.5 tt 31.06 -88.87 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.716 0 C-N-CA 125.072 1.349 . . . . 0.0 114.186 -179.688 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 3' ' ' VAL . . . . . 0.839 ' H ' HG23 ' G' ' 2' ' ' ILE . 4.0 t -56.7 -54.53 27.93 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.094 0 CA-C-O 120.884 0.373 . . . . 0.0 111.17 -178.746 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 4' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -58.91 -38.22 78.42 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.622 179.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 5' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -64.12 -47.86 78.34 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.829 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 6' ' ' CYS . . . . . . . . . . . . . 72.5 m -83.05 -15.29 51.6 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 -177.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 7' ' ' CYS . . . . . . . . . . . . . 42.2 t -78.13 -7.17 56.69 Favored 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.482 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 8' ' ' THR . . . . . . . . . . . . . 42.3 p -67.93 -65.85 0.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.222 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 9' ' ' SER . . . . . 0.502 ' O ' ' HB ' ' G' ' 10' ' ' ILE . 10.3 t -157.0 36.6 0.3 Allowed 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.466 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 10' ' ' ILE . . . . . 0.502 ' HB ' ' O ' ' G' ' 9' ' ' SER . 2.3 mp 74.14 139.71 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 CA-C-N 115.907 -0.588 . . . . 0.0 112.077 179.382 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 11' ' ' CYS . . . . . . . . . . . . . 77.5 m -103.35 176.55 5.11 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.515 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 12' ' ' SER . . . . . 0.51 ' HB3' ' HG3' ' G' ' 15' ' ' GLN . 41.5 t -80.52 147.16 30.96 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 177.174 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 13' ' ' LEU . . . . . . . . . . . . . 9.8 tt -59.27 -34.51 72.34 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.043 0.449 . . . . 0.0 110.7 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -65.59 -26.38 67.82 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.44 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 15' ' ' GLN . . . . . 0.51 ' HG3' ' HB3' ' G' ' 12' ' ' SER . 22.5 mt-30 -78.09 -34.95 49.9 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.488 -0.323 . . . . 0.0 110.495 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 16' ' ' LEU . . . . . 0.497 ' HB3' HD23 ' H' ' 15' ' ' LEU . 79.1 mt -66.06 -32.13 73.41 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.062 0.458 . . . . 0.0 110.258 179.612 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 17' ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -59.22 -29.72 67.71 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.053 179.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 18' ' ' ASN . . . . . . . . . . . . . 62.7 m-20 -76.09 -12.24 60.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.896 0.379 . . . . 0.0 111.397 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 19' ' ' TYR . . . . . . . . . . . . . 9.6 m-30 -103.78 2.65 33.14 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.21 0.528 . . . . 0.0 110.589 -178.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 20' ' ' CYS . . . . . . . . . . . . . 17.0 t -89.1 159.75 17.38 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.078 -179.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 21' ' ' ASN . . . . . 0.422 ' C ' HH21 ' H' ' 22' ' ' ARG . 22.7 t-20 . . . . . 0 C--O 1.246 0.874 0 CA-C-O 118.4 -0.81 . . . . 0.0 110.072 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 1' ' ' PHE . . . . . . . . . . . . . 51.3 t80 . . . . . 0 N--CA 1.483 1.181 0 CA-C-O 120.135 0.016 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' H' H ' 2' ' ' VAL . . . . . 0.417 HG13 ' SG ' ' L' ' 7' ' ' CYS . 21.3 m 48.98 -157.1 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 C-N-CA 124.389 1.076 . . . . 0.0 112.578 -178.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 3' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -137.07 175.57 9.49 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.887 -177.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 4' ' ' GLN . . . . . 0.76 ' HA ' ' HB3' ' H' ' 7' ' ' CYS . 5.9 tt0 -51.81 -28.55 16.04 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 123.953 0.901 . . . . 0.0 110.378 178.6 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 5' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -49.25 -44.35 43.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.944 179.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 6' ' ' LEU . . . . . 0.401 ' HG ' HD11 ' K' ' 10' ' ' ILE . 79.8 mt -95.47 -30.28 13.95 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.312 0.577 . . . . 0.0 110.48 179.601 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 7' ' ' CYS . . . . . 0.76 ' HB3' ' HA ' ' H' ' 4' ' ' GLN . 28.0 t -59.98 -38.87 83.83 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.076 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 8' ' ' GLY . . . . . 0.476 ' HA3' ' OH ' ' H' ' 26' ' ' TYR . . . -69.46 -19.99 75.01 Favored Glycine 0 N--CA 1.446 -0.648 0 CA-C-N 116.151 -0.477 . . . . 0.0 113.753 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 9' ' ' SER . . . . . 1.042 ' HB2' ' HG2' ' F' ' 13' ' ' GLU . 10.0 p -65.77 -18.79 65.58 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 117.424 0.612 . . . . 0.0 110.666 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 10' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -104.69 -19.67 13.88 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.309 -179.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 11' ' ' LEU . . . . . 0.462 HD12 HG13 ' G' ' 3' ' ' VAL . 45.4 mt -72.66 -34.17 67.06 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 177.074 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 12' ' ' VAL . . . . . 0.796 HG21 HG21 ' F' ' 12' ' ' VAL . 26.8 m -68.24 -29.91 46.02 Favored 'Isoleucine or valine' 0 C--O 1.232 0.157 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.491 178.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 13' ' ' GLU . . . . . 1.051 ' HG2' ' HB2' ' F' ' 9' ' ' SER . 47.7 mt-10 -60.72 -32.69 71.94 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-O 121.534 0.683 . . . . 0.0 109.671 179.609 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 14' ' ' ALA . . . . . 0.45 ' O ' HG23 ' H' ' 18' ' ' VAL . . . -84.68 -35.31 22.66 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.994 178.081 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 15' ' ' LEU . . . . . 0.497 HD23 ' HB3' ' G' ' 16' ' ' LEU . 15.5 mt -58.16 -54.95 41.24 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.737 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 16' ' ' TYR . . . . . 0.805 ' CE2' ' HA ' ' H' ' 13' ' ' GLU . 1.8 p90 -65.14 -24.45 67.41 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 120.396 -0.521 . . . . 0.0 110.876 -179.235 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 2.6 tt -69.43 -40.76 77.05 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 -179.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . 0.45 HG23 ' O ' ' H' ' 14' ' ' ALA . 58.2 t -67.49 -37.85 79.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 178.151 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 19' ' ' CYS . . . . . 0.821 ' HB3' ' HB2' ' H' ' 22' ' ' ARG . 86.5 m -68.15 -38.18 81.86 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.486 179.296 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.46 -86.88 1.31 Allowed Glycine 0 N--CA 1.449 -0.438 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -179.16 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 21' ' ' GLU . . . . . 0.573 ' HG2' ' HD2' ' F' ' 29' ' ' LYS . 18.4 tt0 -121.2 34.34 5.24 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.78 0.8 . . . . 0.0 109.314 178.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 22' ' ' ARG . . . . . 0.821 ' HB2' ' HB3' ' H' ' 19' ' ' CYS . 79.6 mtp180 -121.84 169.12 11.08 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.047 -0.979 . . . . 0.0 109.711 179.75 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 23' ' ' GLY . . . . . . . . . . . . . . . -109.67 -176.61 21.18 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.822 -0.704 . . . . 0.0 111.597 179.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 24' ' ' PHE . . . . . 0.551 ' HE2' ' HB3' ' H' ' 16' ' ' TYR . 12.4 p90 -158.22 163.29 37.62 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.074 0.464 . . . . 0.0 110.906 179.68 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 25' ' ' PHE . . . . . . . . . . . . . 13.6 m-30 -99.75 111.05 23.41 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 26' ' ' TYR . . . . . 0.509 ' HB2' ' HE1' ' H' ' 24' ' ' PHE . 66.5 t80 -100.93 112.52 24.98 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.849 0.357 . . . . 0.0 111.51 -178.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 27' ' ' THR . . . . . . . . . . . . . 3.4 p -125.57 95.39 40.65 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.18 179.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 28' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -77.71 46.55 2.06 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.906 2.404 . . . . 0.0 112.526 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 29' ' ' LYS . . . . . 0.575 ' HD2' ' HG2' ' F' ' 21' ' ' GLU . 45.5 tttm -163.77 148.59 10.62 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.568 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 30' ' ' THR . . . . . 0.402 ' N ' ' HG2' ' H' ' 29' ' ' LYS . 13.7 m . . . . . 0 C--O 1.254 1.309 0 CA-C-O 118.081 -0.962 . . . . 0.0 109.124 178.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.477 0 CA-C-O 120.002 -0.332 . . . . 0.0 112.786 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' I' I ' 2' ' ' ILE . . . . . 0.884 HG23 ' H ' ' I' ' 3' ' ' VAL . 9.0 tt 31.29 -89.34 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 125.21 1.404 . . . . 0.0 114.266 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' I' I ' 3' ' ' VAL . . . . . 0.884 ' H ' HG23 ' I' ' 2' ' ' ILE . 4.0 t -55.84 -54.67 23.92 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 CA-C-O 120.817 0.341 . . . . 0.0 111.288 -178.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' I' I ' 4' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -58.77 -39.1 80.04 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.588 179.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 5' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -63.22 -48.06 79.88 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.914 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 6' ' ' CYS . . . . . . . . . . . . . 73.5 m -82.67 -16.21 49.08 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 -177.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 7' ' ' CYS . . . . . 0.401 ' HB2' HD11 ' J' ' 11' ' ' LEU . 42.1 t -77.45 -6.51 53.72 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.527 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' I' I ' 8' ' ' THR . . . . . . . . . . . . . 41.1 p -68.66 -64.67 0.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.47 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 9' ' ' SER . . . . . 0.5 ' O ' ' HB ' ' I' ' 10' ' ' ILE . 13.6 t -157.86 36.17 0.26 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.187 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' I' I ' 10' ' ' ILE . . . . . 0.5 ' HB ' ' O ' ' I' ' 9' ' ' SER . 2.3 mp 74.43 141.36 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.761 179.485 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' I' I ' 11' ' ' CYS . . . . . . . . . . . . . 76.5 m -104.75 176.39 5.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.305 179.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 12' ' ' SER . . . . . 0.548 ' HB3' ' HG3' ' I' ' 15' ' ' GLN . 40.8 t -79.9 148.64 31.2 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 177.23 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' I' I ' 13' ' ' LEU . . . . . . . . . . . . . 10.0 tt -60.98 -34.68 75.16 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.033 0.444 . . . . 0.0 110.528 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -65.03 -26.36 68.23 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.309 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 15' ' ' GLN . . . . . 0.548 ' HG3' ' HB3' ' I' ' 12' ' ' SER . 22.5 mt-30 -77.93 -35.46 50.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.001 0.429 . . . . 0.0 110.578 179.686 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' I' I ' 16' ' ' LEU . . . . . 0.533 ' HB3' HD23 ' J' ' 15' ' ' LEU . 77.8 mt -65.83 -32.05 73.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.306 179.66 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' I' I ' 17' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -58.85 -31.34 68.43 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.986 179.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 18' ' ' ASN . . . . . . . . . . . . . 62.4 m-20 -74.19 -14.76 60.99 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.361 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 19' ' ' TYR . . . . . . . . . . . . . 8.9 m-30 -101.49 4.54 41.28 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.893 0.377 . . . . 0.0 110.831 -178.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 20' ' ' CYS . . . . . . . . . . . . . 17.9 t -91.53 159.15 16.07 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.021 -179.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 21' ' ' ASN . . . . . 0.426 ' C ' HH21 ' J' ' 22' ' ' ARG . 21.5 t-20 . . . . . 0 C--O 1.248 0.975 0 CA-C-O 118.446 -0.788 . . . . 0.0 109.963 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' J' J ' 1' ' ' PHE . . . . . . . . . . . . . 53.8 t80 . . . . . 0 N--CA 1.482 1.162 0 CA-C-O 120.243 0.068 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' J' J ' 2' ' ' VAL . . . . . 0.421 HG13 ' SG ' ' F' ' 7' ' ' CYS . 22.7 m 48.96 -156.01 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 124.295 1.038 . . . . 0.0 112.538 -178.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' J' J ' 3' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -138.0 175.58 9.46 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 122.368 -0.208 . . . . 0.0 110.761 -178.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' J' J ' 4' ' ' GLN . . . . . 0.749 ' HA ' ' HB3' ' J' ' 7' ' ' CYS . 5.9 tt0 -51.53 -28.9 15.01 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 123.962 0.905 . . . . 0.0 110.497 178.254 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' J' J ' 5' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -49.21 -44.18 43.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.033 179.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' J' J ' 6' ' ' LEU . . . . . . . . . . . . . 79.4 mt -95.5 -30.05 14.06 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.379 0.609 . . . . 0.0 110.587 179.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' J' J ' 7' ' ' CYS . . . . . 0.749 ' HB3' ' HA ' ' J' ' 4' ' ' GLN . 33.8 t -60.13 -38.77 84.07 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.085 179.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' J' J ' 8' ' ' GLY . . . . . 0.496 ' HA3' ' OH ' ' J' ' 26' ' ' TYR . . . -69.7 -19.65 75.11 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 121.201 -0.523 . . . . 0.0 113.87 -179.622 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' J' J ' 9' ' ' SER . . . . . 1.096 ' HB2' ' HG2' ' L' ' 13' ' ' GLU . 10.6 p -65.95 -18.96 65.69 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 117.417 0.608 . . . . 0.0 110.643 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' J' J ' 10' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -104.44 -19.55 14.01 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.33 -179.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' J' J ' 11' ' ' LEU . . . . . 0.448 HD12 HG13 ' I' ' 3' ' ' VAL . 45.2 mt -73.0 -33.88 66.05 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 177.126 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' J' J ' 12' ' ' VAL . . . . . 0.801 HG21 HG21 ' L' ' 12' ' ' VAL . 26.9 m -68.66 -29.99 45.67 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.411 178.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' J' J ' 13' ' ' GLU . . . . . 1.069 ' HG2' ' HB2' ' L' ' 9' ' ' SER . 48.9 mt-10 -60.67 -32.36 71.57 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-O 121.498 0.666 . . . . 0.0 109.616 179.561 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' J' J ' 14' ' ' ALA . . . . . 0.446 ' O ' HG23 ' J' ' 18' ' ' VAL . . . -84.83 -35.74 22.09 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.936 178.139 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' J' J ' 15' ' ' LEU . . . . . 0.533 HD23 ' HB3' ' I' ' 16' ' ' LEU . 15.7 mt -57.87 -54.77 43.15 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.769 179.716 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' J' J ' 16' ' ' TYR . . . . . 0.807 ' CE2' ' HA ' ' J' ' 13' ' ' GLU . 1.8 p90 -65.39 -24.42 67.22 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.321 -0.551 . . . . 0.0 110.809 -179.11 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 2.7 tt -69.16 -40.71 78.01 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 -179.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' J' J ' 18' ' ' VAL . . . . . 0.446 HG23 ' O ' ' J' ' 14' ' ' ALA . 58.5 t -67.43 -38.29 80.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 178.154 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' J' J ' 19' ' ' CYS . . . . . 0.807 ' HB3' ' HB2' ' J' ' 22' ' ' ARG . 85.3 m -68.16 -35.89 78.77 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.188 -0.914 . . . . 0.0 111.666 179.352 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' J' J ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.76 -87.46 1.05 Allowed Glycine 0 N--CA 1.45 -0.397 0 N-CA-C 111.307 -0.717 . . . . 0.0 111.307 -179.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' J' J ' 21' ' ' GLU . . . . . 0.574 ' HG2' ' HD2' ' L' ' 29' ' ' LYS . 18.1 tt0 -120.9 36.85 4.47 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.784 0.802 . . . . 0.0 109.363 179.087 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' J' J ' 22' ' ' ARG . . . . . 0.807 ' HB2' ' HB3' ' J' ' 19' ' ' CYS . 79.1 mtp180 -124.09 169.93 11.2 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.691 179.634 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' J' J ' 23' ' ' GLY . . . . . . . . . . . . . . . -110.46 -176.31 20.72 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.783 -0.722 . . . . 0.0 111.654 179.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' J' J ' 24' ' ' PHE . . . . . 0.546 ' HE2' ' HB3' ' J' ' 16' ' ' TYR . 12.4 p90 -158.52 163.14 37.35 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.098 0.475 . . . . 0.0 110.803 179.741 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' J' J ' 25' ' ' PHE . . . . . . . . . . . . . 13.8 m-30 -100.06 110.07 22.37 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 179.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' J' J ' 26' ' ' TYR . . . . . 0.509 ' HB2' ' HE1' ' J' ' 24' ' ' PHE . 66.6 t80 -99.93 112.54 24.81 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.907 0.384 . . . . 0.0 111.668 -178.671 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' J' J ' 27' ' ' THR . . . . . . . . . . . . . 4.9 p -125.37 95.41 41.11 Favored Pre-proline 0 C--N 1.32 -0.678 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.073 179.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' J' J ' 28' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -77.98 46.91 2.19 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.905 2.403 . . . . 0.0 112.299 -179.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' J' J ' 29' ' ' LYS . . . . . 0.531 ' HD2' ' HG2' ' L' ' 21' ' ' GLU . 45.0 tttm -164.95 146.11 7.64 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.829 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' J' J ' 30' ' ' THR . . . . . . . . . . . . . 9.9 m . . . . . 0 C--O 1.253 1.281 0 CA-C-O 117.986 -1.007 . . . . 0.0 108.959 178.963 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.191 0 CA-C-O 119.755 -0.469 . . . . 0.0 113.055 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' K' K ' 2' ' ' ILE . . . . . 0.838 HG23 ' H ' ' K' ' 3' ' ' VAL . 8.7 tt 33.26 -89.09 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 C-N-CA 124.994 1.318 . . . . 0.0 114.113 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' K' K ' 3' ' ' VAL . . . . . 0.838 ' H ' HG23 ' K' ' 2' ' ' ILE . 4.1 t -57.25 -54.27 32.73 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 CA-C-O 120.963 0.411 . . . . 0.0 110.927 -178.761 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' K' K ' 4' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -58.66 -39.38 80.47 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.331 0.586 . . . . 0.0 110.607 179.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' K' K ' 5' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -63.35 -48.27 78.65 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.239 -0.891 . . . . 0.0 111.957 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' K' K ' 6' ' ' CYS . . . . . . . . . . . . . 72.8 m -82.49 -16.03 50.26 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 -177.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' K' K ' 7' ' ' CYS . . . . . . . . . . . . . 42.3 t -77.21 -7.35 55.74 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.563 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' K' K ' 8' ' ' THR . . . . . . . . . . . . . 45.4 p -68.04 -65.5 0.69 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.506 179.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' K' K ' 9' ' ' SER . . . . . 0.505 ' O ' ' HB ' ' K' ' 10' ' ' ILE . 10.6 t -156.81 36.16 0.3 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.202 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' K' K ' 10' ' ' ILE . . . . . 0.505 ' HB ' ' O ' ' K' ' 9' ' ' SER . 2.3 mp 73.98 140.02 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.823 179.573 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' K' K ' 11' ' ' CYS . . . . . . . . . . . . . 75.1 m -103.3 177.24 4.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.384 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' K' K ' 12' ' ' SER . . . . . 0.499 ' HB3' ' HG3' ' K' ' 15' ' ' GLN . 30.3 t -80.87 148.39 29.94 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 177.071 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' K' K ' 13' ' ' LEU . . . . . . . . . . . . . 9.8 tt -60.23 -34.35 73.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.007 0.432 . . . . 0.0 110.564 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -65.82 -26.42 67.67 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.412 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' K' K ' 15' ' ' GLN . . . . . 0.499 ' HG3' ' HB3' ' K' ' 12' ' ' SER . 22.3 mt-30 -77.81 -34.67 51.95 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.599 179.702 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' K' K ' 16' ' ' LEU . . . . . 0.495 ' HB3' HD23 ' L' ' 15' ' ' LEU . 80.3 mt -66.72 -31.15 71.62 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.469 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' K' K ' 17' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -59.81 -31.19 69.48 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.948 179.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' K' K ' 18' ' ' ASN . . . . . . . . . . . . . 60.2 m-20 -74.34 -13.95 60.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.475 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' K' K ' 19' ' ' TYR . . . . . . . . . . . . . 9.3 m-30 -102.4 4.51 38.97 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.13 0.491 . . . . 0.0 110.705 -178.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' K' K ' 20' ' ' CYS . . . . . . . . . . . . . 19.7 t -91.94 157.68 16.69 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.338 -179.099 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' K' K ' 21' ' ' ASN . . . . . 0.422 ' C ' HH21 ' L' ' 22' ' ' ARG . 23.2 t-20 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.435 -0.793 . . . . 0.0 109.615 179.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' L' L ' 1' ' ' PHE . . . . . . . . . . . . . 51.5 t80 . . . . . 0 N--CA 1.482 1.152 0 N-CA-C 111.38 0.141 . . . . 0.0 111.38 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' L' L ' 2' ' ' VAL . . . . . 0.412 HG13 ' SG ' ' D' ' 7' ' ' CYS . 20.4 m 48.81 -156.6 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 124.235 1.014 . . . . 0.0 112.618 -179.064 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' L' L ' 3' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -137.82 175.59 9.45 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.747 0.308 . . . . 0.0 110.674 -178.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' L' L ' 4' ' ' GLN . . . . . 0.738 ' HA ' ' HB3' ' L' ' 7' ' ' CYS . 6.0 tt0 -51.0 -29.72 13.17 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 123.999 0.92 . . . . 0.0 110.333 178.488 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' L' L ' 5' ' ' HIS . . . . . . . . . . . . . 77.8 t60 -48.58 -44.46 36.78 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 115.289 -0.868 . . . . 0.0 111.023 179.171 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' L' L ' 6' ' ' LEU . . . . . . . . . . . . . 80.5 mt -95.5 -30.01 14.08 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.45 0.643 . . . . 0.0 110.619 179.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' L' L ' 7' ' ' CYS . . . . . 0.738 ' HB3' ' HA ' ' L' ' 4' ' ' GLN . 32.1 t -59.68 -39.59 85.03 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.171 179.566 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' L' L ' 8' ' ' GLY . . . . . 0.498 ' HA3' ' OH ' ' L' ' 26' ' ' TYR . . . -69.01 -19.6 73.9 Favored Glycine 0 N--CA 1.449 -0.473 0 CA-C-N 115.972 -0.558 . . . . 0.0 113.935 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' L' L ' 9' ' ' SER . . . . . 1.069 ' HB2' ' HG2' ' J' ' 13' ' ' GLU . 9.8 p -66.2 -18.81 65.58 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 117.348 0.574 . . . . 0.0 110.636 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' L' L ' 10' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -104.51 -19.94 13.86 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.367 -179.365 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' L' L ' 11' ' ' LEU . . . . . 0.459 HD12 HG13 ' K' ' 3' ' ' VAL . 41.4 mt -72.64 -34.21 67.13 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 177.128 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' L' L ' 12' ' ' VAL . . . . . 0.801 HG21 HG21 ' J' ' 12' ' ' VAL . 28.1 m -68.1 -29.85 46.01 Favored 'Isoleucine or valine' 0 C--O 1.231 0.105 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.461 178.626 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' L' L ' 13' ' ' GLU . . . . . 1.096 ' HG2' ' HB2' ' J' ' 9' ' ' SER . 48.4 mt-10 -60.88 -32.62 72.06 Favored 'General case' 0 CA--C 1.522 -0.134 0 CA-C-O 121.363 0.602 . . . . 0.0 109.578 179.6 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' L' L ' 14' ' ' ALA . . . . . 0.441 ' O ' HG23 ' L' ' 18' ' ' VAL . . . -84.71 -35.66 22.37 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.474 -0.784 . . . . 0.0 109.966 178.039 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' L' L ' 15' ' ' LEU . . . . . 0.495 HD23 ' HB3' ' K' ' 16' ' ' LEU . 15.4 mt -57.76 -54.87 41.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.73 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' L' L ' 16' ' ' TYR . . . . . 0.806 ' CE2' ' HA ' ' L' ' 13' ' ' GLU . 1.7 p90 -65.54 -23.91 66.98 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.886 -178.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 2.7 tt -69.6 -40.51 76.61 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 -179.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' L' L ' 18' ' ' VAL . . . . . 0.441 HG23 ' O ' ' L' ' 14' ' ' ALA . 57.3 t -67.89 -37.42 78.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 178.239 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' L' L ' 19' ' ' CYS . . . . . 0.814 ' HB3' ' HB2' ' L' ' 22' ' ' ARG . 84.3 m -68.89 -36.56 78.2 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.388 179.329 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' L' L ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.88 -87.06 1.16 Allowed Glycine 0 N--CA 1.448 -0.513 0 N-CA-C 111.338 -0.705 . . . . 0.0 111.338 -179.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' L' L ' 21' ' ' GLU . . . . . 0.531 ' HG2' ' HD2' ' J' ' 29' ' ' LYS . 17.8 tt0 -120.94 35.89 4.75 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.706 0.765 . . . . 0.0 109.221 179.134 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' L' L ' 22' ' ' ARG . . . . . 0.814 ' HB2' ' HB3' ' L' ' 19' ' ' CYS . 79.4 mtp180 -123.56 169.68 11.19 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.036 -0.983 . . . . 0.0 109.743 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' L' L ' 23' ' ' GLY . . . . . . . . . . . . . . . -110.3 -177.02 20.89 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.767 -0.73 . . . . 0.0 111.721 179.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' L' L ' 24' ' ' PHE . . . . . 0.542 ' HE2' ' HB3' ' L' ' 16' ' ' TYR . 12.4 p90 -157.54 163.87 37.93 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.955 0.407 . . . . 0.0 110.783 179.654 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' L' L ' 25' ' ' PHE . . . . . . . . . . . . . 13.5 m-30 -100.4 110.55 22.75 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 179.105 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' L' L ' 26' ' ' TYR . . . . . 0.517 ' HB2' ' HE1' ' L' ' 24' ' ' PHE . 65.1 t80 -100.51 111.79 24.09 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.79 0.329 . . . . 0.0 111.664 -178.592 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' L' L ' 27' ' ' THR . . . . . . . . . . . . . 5.1 p -125.06 95.44 41.86 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.07 179.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' L' L ' 28' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -77.78 45.14 1.7 Allowed 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 123.002 2.468 . . . . 0.0 112.657 -179.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' L' L ' 29' ' ' LYS . . . . . 0.574 ' HD2' ' HG2' ' J' ' 21' ' ' GLU . 45.4 tttm . . . . . 0 C--N 1.324 -0.535 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.538 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.712 0 N-CA-C 111.753 -0.539 . . . . 0.0 111.753 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.718 HD11 HD11 ' B' ' 15' ' ' LEU . 5.5 tt -151.24 -39.8 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 120.89 0.376 . . . . 0.0 111.093 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.47 HG11 ' HG3' ' B' ' 4' ' ' GLN . 52.2 t -62.37 -72.48 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.324 -179.422 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 76.4 tt0 -60.06 -34.77 73.87 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.65 0.262 . . . . 0.0 110.831 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.599 ' NE2' HE21 ' A' ' 15' ' ' GLN . 35.6 tt0 -52.55 -42.99 64.92 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.96 179.735 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 73.3 m -98.69 -29.04 13.25 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -179.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.789 ' HB2' HD11 ' B' ' 11' ' ' LEU . 49.4 t -81.76 44.93 0.85 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.607 0.718 . . . . 0.0 111.189 -179.716 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -133.47 -63.07 0.76 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.64 178.3 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.458 ' O ' ' HB ' ' A' ' 10' ' ' ILE . 7.8 t -144.24 25.56 1.54 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.252 -0.431 . . . . 0.0 109.996 179.227 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.552 HG21 ' CD2' ' F' ' 5' ' ' HIS . 2.0 mp 71.43 145.98 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.526 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.581 ' SG ' ' HG2' ' A' ' 5' ' ' GLN . 74.3 m -100.83 166.74 10.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.856 0.36 . . . . 0.0 110.475 179.702 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.9 t -72.84 158.15 36.09 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 178.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.1 tt -60.85 -56.36 22.11 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.472 -179.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -65.56 -16.87 64.11 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 111.42 0.155 . . . . 0.0 111.42 -179.186 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.599 HE21 ' NE2' ' A' ' 5' ' ' GLN . 36.2 tt0 -77.14 -24.18 51.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.827 0.346 . . . . 0.0 110.11 179.459 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.479 HD22 ' HG ' ' B' ' 15' ' ' LEU . 97.8 mt -80.34 -26.76 38.54 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 179.037 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.702 ' HA ' ' SG ' ' A' ' 20' ' ' CYS . 0.5 OUTLIER -62.85 -19.32 64.01 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.958 179.096 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -63.85 -16.33 61.08 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.493 179.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -114.81 2.08 14.28 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -178.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.702 ' SG ' ' HA ' ' A' ' 17' ' ' GLU . 81.1 m -74.18 139.34 44.39 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.749 0.309 . . . . 0.0 111.131 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.8 m120 . . . . . 0 C--O 1.241 0.625 0 CA-C-O 118.762 -0.637 . . . . 0.0 110.261 179.779 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 5.9 p90 . . . . . 0 N--CA 1.481 1.117 0 N-CA-C 109.697 -0.482 . . . . 0.0 109.697 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 16.9 m -117.71 176.2 2.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 C-N-CA 120.335 -0.546 . . . . 0.0 110.883 179.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . 0.517 ' H ' ' CD1' ' I' ' 10' ' ' ILE . 61.6 t30 -107.33 -179.15 3.84 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.913 -178.68 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . 0.684 ' HA ' ' HB3' ' B' ' 7' ' ' CYS . 0.2 OUTLIER -49.85 -29.8 8.72 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 123.805 0.842 . . . . 0.0 111.77 179.544 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . 0.601 ' NE2' ' HG ' ' D' ' 17' ' ' LEU . 42.2 t60 -57.36 -20.69 30.91 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.806 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' B' ' 6' ' ' LEU . 31.1 mt -120.04 -21.83 6.92 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.397 0.618 . . . . 0.0 110.256 178.641 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . 0.684 ' HB3' ' HA ' ' B' ' 4' ' ' GLN . 34.6 t -73.18 -36.64 66.62 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.226 -179.735 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . 0.427 ' HA3' ' OH ' ' B' ' 26' ' ' TYR . . . -52.09 -49.94 47.59 Favored Glycine 0 C--O 1.228 -0.279 0 N-CA-C 114.583 0.593 . . . . 0.0 114.583 -179.21 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . 0.587 ' OG ' ' HB3' ' D' ' 13' ' ' GLU . 32.7 t -50.29 -44.57 53.97 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -178.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -70.51 -17.26 62.95 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.876 -0.602 . . . . 0.0 112.357 -178.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.789 HD11 ' HB2' ' A' ' 7' ' ' CYS . 12.2 mt -88.18 -34.81 17.69 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 107.207 -1.405 . . . . 0.0 107.207 176.311 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 1.063 HG11 HG11 ' D' ' 12' ' ' VAL . 51.6 t -66.17 -47.69 83.81 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 CA-C-N 114.421 -1.263 . . . . 0.0 112.188 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.578 ' HB3' ' OG ' ' D' ' 9' ' ' SER . 14.1 pt-20 -54.58 -40.43 68.79 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.709 0.29 . . . . 0.0 111.442 -178.69 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.27 -31.1 43.32 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.124 178.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.718 HD11 HD11 ' A' ' 2' ' ' ILE . 0.9 OUTLIER -58.25 -60.19 4.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.203 179.623 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . 0.789 ' HB2' ' HG3' ' D' ' 28' ' ' PRO . 6.3 p90 -69.79 -18.3 63.47 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 120.396 -0.521 . . . . 0.0 110.829 -179.332 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.607 ' HG ' ' NE2' ' D' ' 5' ' ' HIS . 4.7 tt -69.59 -38.26 77.24 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 178.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 71.7 t -70.76 -42.98 77.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.387 178.27 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . 0.425 ' HB3' ' HB2' ' B' ' 22' ' ' ARG . 84.2 m -62.3 -32.51 73.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.318 179.234 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.64 -102.35 0.88 Allowed Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 115.859 -0.609 . . . . 0.0 112.939 179.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -87.17 -1.55 57.98 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.189 0.518 . . . . 0.0 110.514 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . 0.425 ' HB2' ' HB3' ' B' ' 19' ' ' CYS . 66.7 mtt85 -101.52 156.38 17.51 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.264 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . 0.883 ' HA2' ' HD2' ' D' ' 28' ' ' PRO . . . -101.62 -159.44 26.82 Favored Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 120.598 -0.81 . . . . 0.0 112.052 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . 0.877 ' HZ ' HG13 ' B' ' 12' ' ' VAL . 6.0 p90 -172.22 -176.22 1.58 Allowed 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 9.1 p90 -125.17 150.76 46.63 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 178.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.427 ' OH ' ' HA3' ' B' ' 8' ' ' GLY . 71.4 t80 -145.52 119.52 9.38 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.632 -0.427 . . . . 0.0 111.304 -179.289 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . 0.715 HG22 ' HA3' ' D' ' 23' ' ' GLY . 6.9 p -124.09 99.33 37.74 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.768 178.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . 0.848 ' HD2' ' HA2' ' D' ' 23' ' ' GLY . 69.3 Cg_endo -74.48 55.34 3.63 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 123.169 2.579 . . . . 0.0 113.787 -178.475 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 4.8 ttpm? -124.57 -109.14 0.32 Allowed 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 178.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 62.5 m . . . . . 0 C--O 1.254 1.338 0 CA-C-O 117.528 -1.225 . . . . 0.0 108.135 178.907 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.67 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 2' ' ' ILE . . . . . 0.697 HD11 HD11 ' D' ' 15' ' ' LEU . 5.0 tt -152.49 -38.79 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 O-C-N 122.401 -0.47 . . . . 0.0 110.87 -179.69 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 3' ' ' VAL . . . . . 0.482 HG11 ' HG3' ' D' ' 4' ' ' GLN . 49.6 t -62.89 -73.4 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.156 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 74.9 tt0 -59.46 -34.89 73.09 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.631 0.253 . . . . 0.0 111.08 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 5' ' ' GLN . . . . . 0.592 ' HG2' ' SG ' ' C' ' 11' ' ' CYS . 35.8 tt0 -52.4 -42.68 64.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.972 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 74.5 m -99.03 -29.07 13.11 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -179.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 7' ' ' CYS . . . . . 0.805 ' HB2' HD11 ' D' ' 11' ' ' LEU . 49.8 t -81.68 45.31 0.88 Allowed 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.633 0.73 . . . . 0.0 111.14 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -133.78 -63.37 0.74 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.467 178.246 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 9' ' ' SER . . . . . 0.492 ' O ' ' HB ' ' C' ' 10' ' ' ILE . 8.6 t -143.47 23.45 1.8 Allowed 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.352 179.486 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . 0.544 HG21 ' CD2' ' L' ' 5' ' ' HIS . 1.9 mp 73.82 146.25 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.081 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 11' ' ' CYS . . . . . 0.592 ' SG ' ' HG2' ' C' ' 5' ' ' GLN . 73.0 m -101.3 167.17 10.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.886 0.374 . . . . 0.0 110.36 179.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 17.1 t -74.47 156.6 36.76 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 179.047 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 10.0 tt -58.52 -56.85 16.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.879 -179.013 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -65.88 -15.83 63.29 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.709 0.29 . . . . 0.0 111.499 -179.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . 0.566 HE21 ' NE2' ' C' ' 5' ' ' GLN . 36.4 tt0 -78.15 -23.84 47.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.96 0.41 . . . . 0.0 110.014 179.462 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 16' ' ' LEU . . . . . 0.467 HD22 ' HG ' ' D' ' 15' ' ' LEU . 97.6 mt -80.78 -26.53 37.16 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.111 0.481 . . . . 0.0 109.846 178.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 17' ' ' GLU . . . . . 0.692 ' HA ' ' SG ' ' C' ' 20' ' ' CYS . 0.9 OUTLIER -62.61 -20.1 64.41 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.907 179.049 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -63.05 -17.64 62.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.354 179.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -113.09 1.24 15.24 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -177.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 20' ' ' CYS . . . . . 0.692 ' SG ' ' HA ' ' C' ' 17' ' ' GLU . 84.9 m -73.18 141.69 47.39 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.75 0.31 . . . . 0.0 111.153 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 3.1 m120 . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.873 -0.584 . . . . 0.0 109.579 179.576 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 6.3 p90 . . . . . 0 N--CA 1.481 1.101 0 N-CA-C 109.549 -0.538 . . . . 0.0 109.549 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' D' D ' 2' ' ' VAL . . . . . . . . . . . . . 17.0 m -117.66 175.16 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 C-N-CA 120.462 -0.495 . . . . 0.0 110.88 179.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 3' ' ' ASN . . . . . 0.49 ' H ' ' CD1' ' G' ' 10' ' ' ILE . 62.4 t30 -106.17 -178.45 3.65 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.246 -178.524 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 4' ' ' GLN . . . . . 0.689 ' HA ' ' HB3' ' D' ' 7' ' ' CYS . 0.3 OUTLIER -50.86 -29.3 11.49 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 123.844 0.858 . . . . 0.0 111.596 179.515 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 5' ' ' HIS . . . . . 0.607 ' NE2' ' HG ' ' B' ' 17' ' ' LEU . 42.9 t60 -57.73 -20.53 35.18 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.948 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 6' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' D' ' 6' ' ' LEU . 31.2 mt -120.5 -20.82 7.02 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.338 0.59 . . . . 0.0 110.231 178.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 7' ' ' CYS . . . . . 0.689 ' HB3' ' HA ' ' D' ' 4' ' ' GLN . 29.8 t -73.97 -36.6 64.59 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.161 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 8' ' ' GLY . . . . . 0.425 ' HA3' ' OH ' ' D' ' 26' ' ' TYR . . . -52.16 -50.29 46.57 Favored Glycine 0 C--O 1.227 -0.282 0 CA-C-N 116.003 -0.544 . . . . 0.0 114.413 -179.381 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 9' ' ' SER . . . . . 0.578 ' OG ' ' HB3' ' B' ' 13' ' ' GLU . 28.9 t -50.05 -44.63 51.69 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -178.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 10' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -70.48 -17.65 62.97 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.409 -178.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 11' ' ' LEU . . . . . 0.805 HD11 ' HB2' ' C' ' 7' ' ' CYS . 11.3 mt -87.56 -35.06 18.34 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 176.203 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 12' ' ' VAL . . . . . 1.063 HG11 HG11 ' B' ' 12' ' ' VAL . 50.5 t -66.0 -47.03 86.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 114.439 -1.255 . . . . 0.0 112.247 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 13' ' ' GLU . . . . . 0.587 ' HB3' ' OG ' ' B' ' 9' ' ' SER . 15.9 pt-20 -55.29 -39.78 70.3 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.552 0.215 . . . . 0.0 111.36 -178.662 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.83 -31.12 40.58 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.978 0.418 . . . . 0.0 110.014 178.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 15' ' ' LEU . . . . . 0.697 HD11 HD11 ' C' ' 2' ' ' ILE . 0.9 OUTLIER -57.99 -60.15 4.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.315 179.746 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 16' ' ' TYR . . . . . 0.802 ' HB2' ' HG3' ' B' ' 28' ' ' PRO . 5.8 p90 -70.03 -17.86 63.28 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.469 -0.492 . . . . 0.0 110.906 -179.434 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . 0.601 ' HG ' ' NE2' ' B' ' 5' ' ' HIS . 4.8 tt -70.01 -38.14 75.87 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 178.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 72.4 t -70.98 -42.88 77.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.377 178.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 19' ' ' CYS . . . . . 0.437 ' HB3' ' HB2' ' D' ' 22' ' ' ARG . 83.3 m -62.32 -32.48 73.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.22 179.2 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.12 -102.08 0.88 Allowed Glycine 0 C--N 1.333 0.397 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.891 179.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -87.71 -2.51 58.66 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.324 0.583 . . . . 0.0 110.459 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 22' ' ' ARG . . . . . 0.437 ' HB2' ' HB3' ' D' ' 19' ' ' CYS . 68.2 mtt85 -100.11 157.09 16.81 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.267 179.699 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 23' ' ' GLY . . . . . 0.848 ' HA2' ' HD2' ' B' ' 28' ' ' PRO . . . -102.66 -159.74 25.79 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.665 -0.779 . . . . 0.0 111.994 179.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 24' ' ' PHE . . . . . 0.859 ' HZ ' HG13 ' D' ' 12' ' ' VAL . 6.0 p90 -171.68 -175.36 1.55 Allowed 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 25' ' ' PHE . . . . . . . . . . . . . 9.1 p90 -126.22 150.41 48.39 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 178.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 26' ' ' TYR . . . . . 0.425 ' OH ' ' HA3' ' D' ' 8' ' ' GLY . 72.6 t80 -145.28 119.1 9.25 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.985 0.422 . . . . 0.0 111.489 -179.256 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 27' ' ' THR . . . . . 0.751 HG22 ' HA3' ' B' ' 23' ' ' GLY . 5.5 p -123.61 99.47 39.1 Favored Pre-proline 0 C--N 1.321 -0.67 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.783 179.043 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 28' ' ' PRO . . . . . 0.883 ' HD2' ' HA2' ' B' ' 23' ' ' GLY . 66.4 Cg_endo -74.26 54.88 3.39 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 123.137 2.558 . . . . 0.0 113.842 -178.412 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 29' ' ' LYS . . . . . 0.407 ' HB3' ' H ' ' D' ' 30' ' ' THR . 4.7 ttpm? -124.14 -109.35 0.32 Allowed 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 178.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 30' ' ' THR . . . . . 0.407 ' H ' ' HB3' ' D' ' 29' ' ' LYS . 90.3 m . . . . . 0 C--O 1.25 1.126 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 179.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.695 0 N-CA-C 112.146 -0.381 . . . . 0.0 112.146 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' E' E ' 2' ' ' ILE . . . . . 0.71 HD11 HD11 ' F' ' 15' ' ' LEU . 5.9 tt -152.75 -39.56 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-O 120.81 0.338 . . . . 0.0 111.085 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 3' ' ' VAL . . . . . 0.459 HG11 ' HG3' ' F' ' 4' ' ' GLN . 53.8 t -63.2 -71.83 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.695 -179.322 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 4' ' ' GLU . . . . . . . . . . . . . 77.1 tt0 -60.99 -35.57 77.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.579 0.228 . . . . 0.0 110.723 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 5' ' ' GLN . . . . . 0.576 ' HG2' ' SG ' ' E' ' 11' ' ' CYS . 34.9 tt0 -51.31 -41.91 60.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.122 179.536 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 6' ' ' CYS . . . . . . . . . . . . . 73.0 m -99.85 -29.08 12.8 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.92 -179.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 7' ' ' CYS . . . . . 0.816 ' HB2' HD11 ' F' ' 11' ' ' LEU . 47.7 t -82.14 46.31 1.01 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.738 0.78 . . . . 0.0 111.05 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -134.77 -62.62 0.73 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.479 178.398 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 9' ' ' SER . . . . . 0.485 ' O ' ' HB ' ' E' ' 10' ' ' ILE . 8.7 t -144.35 23.4 1.64 Allowed 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.047 179.506 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 10' ' ' ILE . . . . . 0.537 HG21 ' CD2' ' J' ' 5' ' ' HIS . 1.9 mp 73.55 146.53 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.654 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.144 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 11' ' ' CYS . . . . . 0.576 ' SG ' ' HG2' ' E' ' 5' ' ' GLN . 70.8 m -100.83 168.86 9.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.718 0.294 . . . . 0.0 110.488 179.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 12' ' ' SER . . . . . . . . . . . . . 21.3 t -76.17 156.81 33.37 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 178.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 10.1 tt -58.74 -56.73 18.46 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.638 -178.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -66.19 -14.53 62.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.661 0.267 . . . . 0.0 111.589 -179.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 15' ' ' GLN . . . . . 0.574 HE21 ' NE2' ' E' ' 5' ' ' GLN . 37.1 tt0 -79.13 -24.12 43.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.986 0.422 . . . . 0.0 109.976 179.32 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 16' ' ' LEU . . . . . 0.487 HD22 ' HG ' ' F' ' 15' ' ' LEU . 97.7 mt -80.53 -26.53 38.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.001 178.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 17' ' ' GLU . . . . . 0.698 ' HA ' ' SG ' ' E' ' 20' ' ' CYS . 0.9 OUTLIER -63.41 -18.52 63.8 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.9 179.043 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' E' E ' 18' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -64.25 -16.87 62.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.285 178.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 19' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -113.74 0.69 14.61 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -178.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 20' ' ' CYS . . . . . 0.698 ' SG ' ' HA ' ' E' ' 17' ' ' GLU . 79.7 m -71.91 143.04 49.48 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.904 0.383 . . . . 0.0 111.185 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 21' ' ' ASN . . . . . . . . . . . . . 2.9 m120 . . . . . 0 C--O 1.246 0.919 0 CA-C-O 118.907 -0.568 . . . . 0.0 109.872 179.565 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' F' F ' 1' ' ' PHE . . . . . . . . . . . . . 5.8 p90 . . . . . 0 N--CA 1.482 1.157 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' F' F ' 2' ' ' VAL . . . . . . . . . . . . . 17.5 m -118.48 175.93 3.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 C-N-CA 120.342 -0.543 . . . . 0.0 110.838 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 3' ' ' ASN . . . . . 0.506 ' H ' ' CD1' ' A' ' 10' ' ' ILE . 61.5 t30 -106.92 -179.22 3.87 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.165 -178.543 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 4' ' ' GLN . . . . . 0.668 ' HA ' ' HB3' ' F' ' 7' ' ' CYS . 0.3 OUTLIER -50.02 -29.68 9.16 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 123.755 0.822 . . . . 0.0 111.712 179.427 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' F' F ' 5' ' ' HIS . . . . . 0.606 ' NE2' ' HG ' ' H' ' 17' ' ' LEU . 44.6 t60 -57.5 -20.8 33.61 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.867 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 6' ' ' LEU . . . . . . . . . . . . . 30.4 mt -119.85 -21.3 7.24 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.276 0.56 . . . . 0.0 110.311 178.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 7' ' ' CYS . . . . . 0.668 ' HB3' ' HA ' ' F' ' 4' ' ' GLN . 32.5 t -73.6 -36.57 65.53 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.108 -179.68 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 8' ' ' GLY . . . . . 0.435 ' HA3' ' OH ' ' F' ' 26' ' ' TYR . . . -51.99 -50.56 44.41 Favored Glycine 0 N--CA 1.452 -0.265 0 CA-C-N 115.92 -0.582 . . . . 0.0 114.413 -179.152 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 9' ' ' SER . . . . . 0.577 ' OG ' ' HB3' ' H' ' 13' ' ' GLU . 29.5 t -49.99 -44.45 50.99 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.416 0.524 . . . . 0.0 112.416 -179.052 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 10' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -70.54 -17.46 62.94 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.266 -178.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 11' ' ' LEU . . . . . 0.816 HD11 ' HB2' ' E' ' 7' ' ' CYS . 11.4 mt -88.11 -34.09 18.03 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 176.283 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 12' ' ' VAL . . . . . 1.088 HG11 HG11 ' H' ' 12' ' ' VAL . 50.7 t -66.61 -47.56 83.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 114.421 -1.263 . . . . 0.0 112.319 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 13' ' ' GLU . . . . . 0.587 ' HB3' ' OG ' ' H' ' 9' ' ' SER . 13.9 pt-20 -54.57 -40.65 68.97 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.607 0.242 . . . . 0.0 111.384 -178.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.27 -30.91 43.26 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.954 0.407 . . . . 0.0 110.226 178.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 15' ' ' LEU . . . . . 0.71 HD11 HD11 ' E' ' 2' ' ' ILE . 0.9 OUTLIER -58.37 -60.09 4.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.143 179.638 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' F' F ' 16' ' ' TYR . . . . . 0.814 ' HB2' ' HG3' ' H' ' 28' ' ' PRO . 5.9 p90 -69.73 -18.59 63.53 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.766 -179.448 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 17' ' ' LEU . . . . . 0.614 ' HG ' ' NE2' ' H' ' 5' ' ' HIS . 4.8 tt -69.2 -38.62 78.69 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 178.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 72.8 t -70.86 -42.38 77.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.55 178.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 19' ' ' CYS . . . . . 0.434 ' HB3' ' HB2' ' F' ' 22' ' ' ARG . 79.1 m -62.43 -33.6 75.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.076 179.108 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.98 -102.93 1.05 Allowed Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.923 -0.58 . . . . 0.0 112.685 179.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 21' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -86.2 -4.64 59.21 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.203 0.525 . . . . 0.0 110.408 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 22' ' ' ARG . . . . . 0.434 ' HB2' ' HB3' ' F' ' 19' ' ' CYS . 67.7 mtt85 -97.63 157.12 16.21 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.539 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 23' ' ' GLY . . . . . 0.858 ' HA2' ' HD2' ' H' ' 28' ' ' PRO . . . -102.94 -160.08 25.53 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.78 -0.724 . . . . 0.0 111.834 179.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 24' ' ' PHE . . . . . 0.855 ' HZ ' HG13 ' F' ' 12' ' ' VAL . 6.1 p90 -171.75 -176.08 1.68 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 25' ' ' PHE . . . . . . . . . . . . . 9.3 p90 -125.28 151.31 46.13 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 178.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 26' ' ' TYR . . . . . 0.435 ' OH ' ' HA3' ' F' ' 8' ' ' GLY . 72.7 t80 -146.06 119.1 8.79 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.623 -0.431 . . . . 0.0 111.37 -179.28 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 27' ' ' THR . . . . . 0.733 HG22 ' HA3' ' H' ' 23' ' ' GLY . 7.6 p -123.28 99.38 40.27 Favored Pre-proline 0 C--N 1.319 -0.727 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.816 178.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 28' ' ' PRO . . . . . 0.889 ' HD2' ' HA2' ' H' ' 23' ' ' GLY . 74.2 Cg_endo -74.59 56.13 3.92 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 123.081 2.521 . . . . 0.0 113.948 -178.529 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 29' ' ' LYS . . . . . . . . . . . . . 4.9 ttpm? -125.31 -108.7 0.32 Allowed 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 178.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 30' ' ' THR . . . . . . . . . . . . . 59.8 m . . . . . 0 C--O 1.252 1.217 0 CA-C-O 117.465 -1.255 . . . . 0.0 107.668 178.812 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' G' G ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.921 0 N-CA-C 111.728 -0.549 . . . . 0.0 111.728 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' G' G ' 2' ' ' ILE . . . . . 0.741 HD11 HD11 ' H' ' 15' ' ' LEU . 6.0 tt -149.09 -40.05 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 120.895 0.379 . . . . 0.0 111.061 -179.709 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' G' G ' 3' ' ' VAL . . . . . 0.458 HG11 ' HG3' ' H' ' 4' ' ' GLN . 53.3 t -62.24 -71.97 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.579 -179.303 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' G' G ' 4' ' ' GLU . . . . . . . . . . . . . 72.2 tt0 -61.2 -33.93 74.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.716 0.293 . . . . 0.0 110.839 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 5' ' ' GLN . . . . . 0.604 ' HG2' ' SG ' ' G' ' 11' ' ' CYS . 35.0 tt0 -53.01 -42.28 65.48 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.105 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' G' G ' 6' ' ' CYS . . . . . . . . . . . . . 74.1 m -99.56 -28.97 12.97 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 -179.275 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 7' ' ' CYS . . . . . 0.797 ' HB2' HD11 ' H' ' 11' ' ' LEU . 47.3 t -81.54 45.3 0.86 Allowed 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 121.501 0.667 . . . . 0.0 111.197 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' G' G ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -134.07 -63.03 0.74 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.473 178.383 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' G' G ' 9' ' ' SER . . . . . 0.47 ' O ' ' HB ' ' G' ' 10' ' ' ILE . 8.3 t -143.66 24.76 1.69 Allowed 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.046 179.388 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' G' G ' 10' ' ' ILE . . . . . 0.539 HG21 ' CD2' ' D' ' 5' ' ' HIS . 1.9 mp 71.89 145.05 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.23 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' G' G ' 11' ' ' CYS . . . . . 0.604 ' SG ' ' HG2' ' G' ' 5' ' ' GLN . 74.1 m -100.28 166.97 10.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.767 0.317 . . . . 0.0 110.33 179.548 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' G' G ' 12' ' ' SER . . . . . . . . . . . . . 13.3 t -74.09 156.65 37.2 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 179.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 13' ' ' LEU . . . . . . . . . . . . . 10.1 tt -58.95 -56.79 17.77 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.735 -178.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -66.06 -14.7 62.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.591 0.234 . . . . 0.0 111.514 -179.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 15' ' ' GLN . . . . . 0.547 HE21 ' NE2' ' G' ' 5' ' ' GLN . 35.9 tt0 -79.36 -23.97 43.01 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 179.477 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' G' G ' 16' ' ' LEU . . . . . 0.493 HD22 ' HG ' ' H' ' 15' ' ' LEU . 97.6 mt -80.3 -27.24 38.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.075 0.465 . . . . 0.0 109.908 178.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' G' G ' 17' ' ' GLU . . . . . 0.703 ' HA ' ' SG ' ' G' ' 20' ' ' CYS . 0.8 OUTLIER -62.45 -19.46 63.53 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.044 179.155 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' G' G ' 18' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -62.77 -19.64 64.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.251 178.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 19' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -111.45 1.46 16.98 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 -177.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 20' ' ' CYS . . . . . 0.703 ' SG ' ' HA ' ' G' ' 17' ' ' GLU . 84.2 m -73.7 140.5 46.08 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.934 0.397 . . . . 0.0 111.315 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' G' G ' 21' ' ' ASN . . . . . . . . . . . . . 3.0 m120 . . . . . 0 C--O 1.249 1.031 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.893 179.721 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' H' H ' 1' ' ' PHE . . . . . . . . . . . . . 6.1 p90 . . . . . 0 N--CA 1.483 1.182 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' H' H ' 2' ' ' VAL . . . . . 0.414 ' HB ' HD11 ' K' ' 10' ' ' ILE . 16.7 m -117.78 175.9 3.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 C-N-CA 120.2 -0.6 . . . . 0.0 110.947 179.549 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' H' H ' 3' ' ' ASN . . . . . 0.518 ' H ' ' CD1' ' K' ' 10' ' ' ILE . 59.6 t30 -106.79 -179.53 3.97 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.985 -178.633 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' H' H ' 4' ' ' GLN . . . . . 0.658 ' HA ' ' HB3' ' H' ' 7' ' ' CYS . 0.2 OUTLIER -49.55 -29.83 7.58 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 123.818 0.847 . . . . 0.0 111.733 179.348 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' H' H ' 5' ' ' HIS . . . . . 0.614 ' NE2' ' HG ' ' F' ' 17' ' ' LEU . 43.8 t60 -57.4 -20.37 29.39 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.89 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' H' H ' 6' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' H' ' 6' ' ' LEU . 29.6 mt -120.78 -21.01 6.79 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.268 0.556 . . . . 0.0 110.17 178.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' H' H ' 7' ' ' CYS . . . . . 0.658 ' HB3' ' HA ' ' H' ' 4' ' ' GLN . 29.7 t -73.88 -36.53 64.81 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.101 -179.697 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' H' H ' 8' ' ' GLY . . . . . 0.429 ' HA3' ' OH ' ' H' ' 26' ' ' TYR . . . -52.15 -50.16 47.04 Favored Glycine 0 C--O 1.228 -0.245 0 N-CA-C 114.59 0.596 . . . . 0.0 114.59 -179.114 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' H' H ' 9' ' ' SER . . . . . 0.587 ' OG ' ' HB3' ' F' ' 13' ' ' GLU . 29.2 t -50.2 -44.34 53.01 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -178.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' H' H ' 10' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -70.67 -17.59 62.84 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.964 -0.562 . . . . 0.0 112.209 -178.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 11' ' ' LEU . . . . . 0.797 HD11 ' HB2' ' G' ' 7' ' ' CYS . 11.9 mt -87.8 -34.76 18.16 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 107.237 -1.394 . . . . 0.0 107.237 176.305 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' H' H ' 12' ' ' VAL . . . . . 1.088 HG11 HG11 ' F' ' 12' ' ' VAL . 50.7 t -66.34 -47.43 84.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 114.359 -1.292 . . . . 0.0 112.24 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' H' H ' 13' ' ' GLU . . . . . 0.577 ' HB3' ' OG ' ' F' ' 9' ' ' SER . 13.7 pt-20 -54.53 -40.57 68.78 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.585 0.231 . . . . 0.0 111.349 -178.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' H' H ' 14' ' ' ALA . . . . . 0.403 ' O ' HG23 ' H' ' 18' ' ' VAL . . . -79.31 -31.07 43.11 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.908 0.385 . . . . 0.0 110.055 178.591 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' H' H ' 15' ' ' LEU . . . . . 0.741 HD11 HD11 ' G' ' 2' ' ' ILE . 0.9 OUTLIER -58.17 -60.19 4.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.186 179.882 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' H' H ' 16' ' ' TYR . . . . . 0.761 ' HB2' ' HG3' ' F' ' 28' ' ' PRO . 5.7 p90 -69.77 -18.3 63.48 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 120.353 -0.539 . . . . 0.0 110.91 -179.443 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' H' H ' 17' ' ' LEU . . . . . 0.606 ' HG ' ' NE2' ' F' ' 5' ' ' HIS . 4.7 tt -69.41 -38.82 78.1 Favored 'General case' 0 C--O 1.23 0.069 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 178.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . 0.403 HG23 ' O ' ' H' ' 14' ' ' ALA . 69.3 t -70.37 -42.65 78.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.539 178.182 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' H' H ' 19' ' ' CYS . . . . . 0.427 ' HB3' ' HB2' ' H' ' 22' ' ' ARG . 85.7 m -62.38 -32.76 73.62 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.209 179.199 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' H' H ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.37 -101.26 0.81 Allowed Glycine 0 N--CA 1.449 -0.438 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.948 178.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 21' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -88.88 -0.71 57.62 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.114 0.483 . . . . 0.0 110.372 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 22' ' ' ARG . . . . . 0.427 ' HB2' ' HB3' ' H' ' 19' ' ' CYS . 69.5 mtt85 -102.19 156.07 17.8 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.091 179.735 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' H' H ' 23' ' ' GLY . . . . . 0.889 ' HA2' ' HD2' ' F' ' 28' ' ' PRO . . . -101.26 -159.6 27.2 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.091 179.537 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' H' H ' 24' ' ' PHE . . . . . 0.862 ' HZ ' HG13 ' H' ' 12' ' ' VAL . 5.8 p90 -172.25 -176.18 1.56 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' H' H ' 25' ' ' PHE . . . . . . . . . . . . . 9.0 p90 -125.08 151.43 45.67 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 178.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 26' ' ' TYR . . . . . 0.429 ' OH ' ' HA3' ' H' ' 8' ' ' GLY . 71.6 t80 -146.29 118.96 8.57 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.445 -179.261 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' H' H ' 27' ' ' THR . . . . . 0.721 HG22 ' HA3' ' F' ' 23' ' ' GLY . 6.8 p -123.63 99.42 39.09 Favored Pre-proline 0 C--N 1.318 -0.78 0 CA-C-N 116.187 -0.461 . . . . 0.0 109.856 178.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' H' H ' 28' ' ' PRO . . . . . 0.858 ' HD2' ' HA2' ' F' ' 23' ' ' GLY . 65.5 Cg_endo -74.26 55.29 3.5 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 123.185 2.59 . . . . 0.0 113.731 -178.322 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' H' H ' 29' ' ' LYS . . . . . . . . . . . . . 4.6 ttpm? -124.78 -109.87 0.32 Allowed 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 178.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 30' ' ' THR . . . . . . . . . . . . . 60.6 m . . . . . 0 C--O 1.251 1.165 0 CA-C-O 117.631 -1.176 . . . . 0.0 108.009 179.176 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' I' I ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.89 0 N-CA-C 112.227 -0.349 . . . . 0.0 112.227 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' I' I ' 2' ' ' ILE . . . . . 0.722 HD11 HD11 ' J' ' 15' ' ' LEU . 5.5 tt -151.13 -39.53 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-O 120.947 0.403 . . . . 0.0 110.978 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' I' I ' 3' ' ' VAL . . . . . 0.471 HG11 ' HG3' ' J' ' 4' ' ' GLN . 51.9 t -63.04 -71.83 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.449 -179.448 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' I' I ' 4' ' ' GLU . . . . . . . . . . . . . 72.1 tt0 -60.65 -34.8 74.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.718 0.294 . . . . 0.0 110.72 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 5' ' ' GLN . . . . . 0.601 ' HG2' ' SG ' ' I' ' 11' ' ' CYS . 34.9 tt0 -52.86 -41.79 64.62 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.255 179.586 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' I' I ' 6' ' ' CYS . . . . . . . . . . . . . 73.7 m -100.03 -29.17 12.69 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 -179.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 7' ' ' CYS . . . . . 0.812 ' HB2' HD11 ' J' ' 11' ' ' LEU . 49.0 t -81.48 45.43 0.87 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.725 0.774 . . . . 0.0 111.168 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' I' I ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -134.08 -61.49 0.79 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.879 178.428 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' I' I ' 9' ' ' SER . . . . . 0.464 ' O ' ' HB ' ' I' ' 10' ' ' ILE . 8.6 t -146.01 25.03 1.3 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.843 179.471 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' I' I ' 10' ' ' ILE . . . . . 0.517 ' CD1' ' H ' ' B' ' 3' ' ' ASN . 2.0 mp 71.28 143.88 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.551 179.716 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' I' I ' 11' ' ' CYS . . . . . 0.601 ' SG ' ' HG2' ' I' ' 5' ' ' GLN . 71.7 m -96.8 171.61 8.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.867 0.365 . . . . 0.0 110.717 179.473 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' I' I ' 12' ' ' SER . . . . . . . . . . . . . 23.2 t -78.66 158.16 28.46 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 178.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 13' ' ' LEU . . . . . . . . . . . . . 10.1 tt -59.91 -56.76 17.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.43 -179.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -65.54 -16.17 63.42 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.653 0.242 . . . . 0.0 111.653 -179.159 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 15' ' ' GLN . . . . . 0.571 HE21 ' NE2' ' I' ' 5' ' ' GLN . 36.5 tt0 -77.67 -24.27 49.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.904 0.383 . . . . 0.0 110.01 179.341 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' I' I ' 16' ' ' LEU . . . . . 0.476 HD22 ' HG ' ' J' ' 15' ' ' LEU . 97.8 mt -80.35 -26.65 38.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.226 0.536 . . . . 0.0 110.02 178.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' I' I ' 17' ' ' GLU . . . . . 0.678 ' HA ' ' SG ' ' I' ' 20' ' ' CYS . 0.8 OUTLIER -63.11 -18.98 64.0 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.024 179.23 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' I' I ' 18' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -64.63 -15.1 60.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.411 179.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 19' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -115.69 1.12 13.43 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 -178.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 20' ' ' CYS . . . . . 0.678 ' SG ' ' HA ' ' I' ' 17' ' ' GLU . 81.1 m -73.42 140.08 46.29 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.865 0.364 . . . . 0.0 111.163 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' I' I ' 21' ' ' ASN . . . . . . . . . . . . . 2.8 m120 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.747 -0.644 . . . . 0.0 109.85 179.803 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' J' J ' 1' ' ' PHE . . . . . . . . . . . . . 6.2 p90 . . . . . 0 N--CA 1.483 1.186 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' J' J ' 2' ' ' VAL . . . . . . . . . . . . . 16.4 m -116.9 176.57 2.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 C-N-CA 120.174 -0.611 . . . . 0.0 111.08 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' J' J ' 3' ' ' ASN . . . . . 0.489 ' H ' ' CD1' ' E' ' 10' ' ' ILE . 61.8 t30 -107.5 -179.67 3.98 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.964 -178.628 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' J' J ' 4' ' ' GLN . . . . . 0.674 ' HA ' ' HB3' ' J' ' 7' ' ' CYS . 0.2 OUTLIER -49.65 -29.04 6.62 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.874 0.869 . . . . 0.0 111.695 179.259 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' J' J ' 5' ' ' HIS . . . . . 0.621 ' NE2' ' HG ' ' L' ' 17' ' ' LEU . 46.7 t60 -58.31 -20.45 43.09 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.797 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' J' J ' 6' ' ' LEU . . . . . . . . . . . . . 29.9 mt -120.1 -21.35 7.07 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.31 0.576 . . . . 0.0 110.29 178.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' J' J ' 7' ' ' CYS . . . . . 0.674 ' HB3' ' HA ' ' J' ' 4' ' ' GLN . 31.8 t -73.51 -36.45 65.74 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.252 -179.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' J' J ' 8' ' ' GLY . . . . . 0.433 ' HA3' ' OH ' ' J' ' 26' ' ' TYR . . . -52.24 -50.45 46.39 Favored Glycine 0 N--CA 1.451 -0.329 0 CA-C-N 115.94 -0.573 . . . . 0.0 114.478 -179.084 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' J' J ' 9' ' ' SER . . . . . 0.574 ' CB ' ' HB3' ' L' ' 13' ' ' GLU . 30.0 t -49.77 -44.48 48.83 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -179.12 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' J' J ' 10' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -70.76 -17.5 62.79 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.055 -0.521 . . . . 0.0 112.266 -178.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' J' J ' 11' ' ' LEU . . . . . 0.812 HD11 ' HB2' ' I' ' 7' ' ' CYS . 11.8 mt -87.71 -34.75 18.28 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 107.222 -1.399 . . . . 0.0 107.222 176.393 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' J' J ' 12' ' ' VAL . . . . . 1.04 HG11 HG11 ' L' ' 12' ' ' VAL . 51.1 t -66.43 -47.24 84.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 CA-C-N 114.404 -1.271 . . . . 0.0 112.181 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' J' J ' 13' ' ' GLU . . . . . 0.601 ' HB3' ' OG ' ' L' ' 9' ' ' SER . 16.0 pt-20 -54.83 -40.03 69.15 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.587 0.232 . . . . 0.0 111.417 -178.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' J' J ' 14' ' ' ALA . . . . . . . . . . . . . . . -80.0 -30.96 39.73 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.922 0.392 . . . . 0.0 110.143 178.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' J' J ' 15' ' ' LEU . . . . . 0.722 HD11 HD11 ' I' ' 2' ' ' ILE . 0.9 OUTLIER -57.94 -60.19 4.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.296 179.673 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' J' J ' 16' ' ' TYR . . . . . 0.786 ' HB2' ' HG3' ' L' ' 28' ' ' PRO . 6.2 p90 -69.67 -18.61 63.58 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.836 -179.471 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' J' J ' 17' ' ' LEU . . . . . 0.621 ' HG ' ' NE2' ' L' ' 5' ' ' HIS . 4.6 tt -69.15 -39.31 78.9 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 178.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 69.4 t -69.68 -43.11 80.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.603 178.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' J' J ' 19' ' ' CYS . . . . . 0.455 ' HB3' ' HB2' ' J' ' 22' ' ' ARG . 85.9 m -61.72 -34.56 76.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.026 179.172 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' J' J ' 20' ' ' GLY . . . . . . . . . . . . . . . 70.82 -101.32 0.92 Allowed Glycine 0 C--N 1.332 0.324 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.885 179.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' J' J ' 21' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -88.44 -2.49 58.63 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.222 0.534 . . . . 0.0 110.254 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' J' J ' 22' ' ' ARG . . . . . 0.455 ' HB2' ' HB3' ' J' ' 19' ' ' CYS . 66.5 mtt85 -99.73 157.15 16.69 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.15 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' J' J ' 23' ' ' GLY . . . . . 0.876 ' HA2' ' HD2' ' L' ' 28' ' ' PRO . . . -102.94 -159.34 25.47 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.557 -0.83 . . . . 0.0 111.889 179.504 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' J' J ' 24' ' ' PHE . . . . . 0.878 ' HZ ' HG13 ' J' ' 12' ' ' VAL . 5.9 p90 -172.2 -175.62 1.46 Allowed 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' J' J ' 25' ' ' PHE . . . . . . . . . . . . . 9.3 p90 -125.75 151.2 47.01 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 178.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' J' J ' 26' ' ' TYR . . . . . 0.433 ' OH ' ' HA3' ' J' ' 8' ' ' GLY . 72.1 t80 -146.12 119.06 8.72 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.669 -0.413 . . . . 0.0 111.375 -179.309 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' J' J ' 27' ' ' THR . . . . . 0.727 HG22 ' HA3' ' L' ' 23' ' ' GLY . 7.3 p -123.6 99.45 39.16 Favored Pre-proline 0 C--N 1.32 -0.695 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 178.715 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' J' J ' 28' ' ' PRO . . . . . 0.869 ' HD2' ' HA2' ' L' ' 23' ' ' GLY . 64.9 Cg_endo -74.11 54.56 3.23 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 123.179 2.586 . . . . 0.0 113.768 -178.327 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' J' J ' 29' ' ' LYS . . . . . . . . . . . . . 4.7 ttpm? -123.68 -110.23 0.32 Allowed 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 178.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' J' J ' 30' ' ' THR . . . . . . . . . . . . . 91.0 m . . . . . 0 C--O 1.254 1.315 0 CA-C-O 117.654 -1.165 . . . . 0.0 107.957 178.972 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.668 0 N-CA-C 111.767 -0.533 . . . . 0.0 111.767 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' K' K ' 2' ' ' ILE . . . . . 0.695 HD11 HD11 ' L' ' 15' ' ' LEU . 5.3 tt -152.72 -39.29 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.842 0.353 . . . . 0.0 110.987 179.64 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' K' K ' 3' ' ' VAL . . . . . 0.464 HG11 ' HG3' ' L' ' 4' ' ' GLN . 53.5 t -62.96 -71.81 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.356 -179.373 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' K' K ' 4' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -60.85 -35.05 75.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.704 0.288 . . . . 0.0 110.783 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' K' K ' 5' ' ' GLN . . . . . 0.601 ' HG2' ' SG ' ' K' ' 11' ' ' CYS . 35.2 tt0 -51.63 -42.78 62.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.143 179.452 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' K' K ' 6' ' ' CYS . . . . . . . . . . . . . 73.6 m -99.4 -28.59 13.2 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -179.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' K' K ' 7' ' ' CYS . . . . . 0.805 ' HB2' HD11 ' L' ' 11' ' ' LEU . 49.8 t -82.06 45.38 0.92 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.537 0.684 . . . . 0.0 111.133 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' K' K ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -134.12 -62.65 0.75 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.605 178.314 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' K' K ' 9' ' ' SER . . . . . 0.463 ' O ' ' HB ' ' K' ' 10' ' ' ILE . 10.7 t -144.08 24.5 1.63 Allowed 'General case' 0 C--O 1.238 0.485 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 179.437 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' K' K ' 10' ' ' ILE . . . . . 0.542 HG21 ' CD2' ' H' ' 5' ' ' HIS . 2.0 mp 71.63 143.99 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.489 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' K' K ' 11' ' ' CYS . . . . . 0.601 ' SG ' ' HG2' ' K' ' 5' ' ' GLN . 75.5 m -98.41 167.2 10.98 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 120.901 0.382 . . . . 0.0 110.82 179.499 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' K' K ' 12' ' ' SER . . . . . . . . . . . . . 17.2 t -74.0 156.97 36.99 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 178.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' K' K ' 13' ' ' LEU . . . . . . . . . . . . . 10.0 tt -59.52 -56.69 18.83 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.682 -178.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -65.56 -16.01 63.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.563 0.22 . . . . 0.0 111.357 -179.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' K' K ' 15' ' ' GLN . . . . . 0.568 HE21 ' NE2' ' K' ' 5' ' ' GLN . 35.5 tt0 -78.18 -23.71 47.5 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-O 120.977 0.418 . . . . 0.0 110.25 179.466 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' K' K ' 16' ' ' LEU . . . . . 0.467 HD22 ' HG ' ' L' ' 15' ' ' LEU . 97.0 mt -80.28 -26.82 38.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.991 178.673 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' K' K ' 17' ' ' GLU . . . . . 0.69 ' HA ' ' SG ' ' K' ' 20' ' ' CYS . 0.7 OUTLIER -63.33 -18.67 63.88 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.007 179.264 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' K' K ' 18' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -64.08 -18.07 64.03 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.164 179.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' K' K ' 19' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -112.6 1.17 15.68 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -178.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' K' K ' 20' ' ' CYS . . . . . 0.69 ' SG ' ' HA ' ' K' ' 17' ' ' GLU . 81.6 m -73.13 140.07 46.84 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.949 0.404 . . . . 0.0 111.37 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' K' K ' 21' ' ' ASN . . . . . . . . . . . . . 2.8 m120 . . . . . 0 C--O 1.246 0.884 0 CA-C-O 118.517 -0.754 . . . . 0.0 110.226 179.659 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' L' L ' 1' ' ' PHE . . . . . . . . . . . . . 6.2 p90 . . . . . 0 N--CA 1.482 1.153 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' L' L ' 2' ' ' VAL . . . . . 0.4 ' HB ' HD11 ' C' ' 10' ' ' ILE . 16.4 m -118.21 175.41 3.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 C-N-CA 120.38 -0.528 . . . . 0.0 110.889 179.627 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' L' L ' 3' ' ' ASN . . . . . 0.503 ' H ' ' CD1' ' C' ' 10' ' ' ILE . 60.8 t30 -106.56 -179.72 4.02 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.094 -178.514 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' L' L ' 4' ' ' GLN . . . . . 0.68 ' HA ' ' HB3' ' L' ' 7' ' ' CYS . 0.2 OUTLIER -49.63 -29.32 7.03 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 123.717 0.807 . . . . 0.0 111.827 179.344 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' L' L ' 5' ' ' HIS . . . . . 0.621 ' NE2' ' HG ' ' J' ' 17' ' ' LEU . 47.0 t60 -57.81 -20.62 37.11 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.793 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' L' L ' 6' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' L' ' 6' ' ' LEU . 30.4 mt -120.23 -21.67 6.87 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.28 0.562 . . . . 0.0 110.203 178.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' L' L ' 7' ' ' CYS . . . . . 0.68 ' HB3' ' HA ' ' L' ' 4' ' ' GLN . 28.2 t -73.26 -36.3 66.35 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.103 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' L' L ' 8' ' ' GLY . . . . . 0.422 ' HA3' ' OH ' ' L' ' 26' ' ' TYR . . . -52.31 -50.34 47.28 Favored Glycine 0 C--O 1.227 -0.292 0 CA-C-N 116.018 -0.537 . . . . 0.0 114.424 -179.116 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' L' L ' 9' ' ' SER . . . . . 0.601 ' OG ' ' HB3' ' J' ' 13' ' ' GLU . 31.6 t -49.85 -44.56 49.72 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.175 0.512 . . . . 0.0 112.309 -179.113 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' L' L ' 10' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -70.73 -17.14 62.81 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.293 -178.243 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' L' L ' 11' ' ' LEU . . . . . 0.805 HD11 ' HB2' ' K' ' 7' ' ' CYS . 12.4 mt -87.91 -35.16 17.86 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 107.156 -1.424 . . . . 0.0 107.156 176.258 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' L' L ' 12' ' ' VAL . . . . . 1.04 HG11 HG11 ' J' ' 12' ' ' VAL . 52.2 t -66.03 -47.44 85.05 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-N 114.49 -1.232 . . . . 0.0 112.19 -179.705 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' L' L ' 13' ' ' GLU . . . . . 0.574 ' HB3' ' CB ' ' J' ' 9' ' ' SER . 14.3 pt-20 -54.42 -40.9 68.73 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.621 0.248 . . . . 0.0 111.369 -178.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' L' L ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.07 -31.04 44.27 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.854 0.359 . . . . 0.0 110.213 178.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' L' L ' 15' ' ' LEU . . . . . 0.695 HD11 HD11 ' K' ' 2' ' ' ILE . 0.9 OUTLIER -58.07 -60.16 4.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.241 179.534 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' L' L ' 16' ' ' TYR . . . . . 0.783 ' HB2' ' HG3' ' J' ' 28' ' ' PRO . 6.1 p90 -69.92 -18.23 63.37 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.416 -0.514 . . . . 0.0 110.888 -179.308 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' L' L ' 17' ' ' LEU . . . . . 0.621 ' HG ' ' NE2' ' J' ' 5' ' ' HIS . 4.8 tt -69.43 -38.54 77.89 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 178.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 72.2 t -70.69 -43.26 77.56 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 CA-C-N 115.734 -0.667 . . . . 0.0 109.395 178.192 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' L' L ' 19' ' ' CYS . . . . . 0.417 ' HB3' ' HB2' ' L' ' 22' ' ' ARG . 84.1 m -61.98 -31.53 71.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.314 179.062 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' L' L ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.86 -101.67 0.75 Allowed Glycine 0 N--CA 1.451 -0.36 0 CA-C-N 115.987 -0.551 . . . . 0.0 113.27 179.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' L' L ' 21' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -87.07 -5.08 59.17 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.172 0.511 . . . . 0.0 110.324 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' L' L ' 22' ' ' ARG . . . . . 0.417 ' HB2' ' HB3' ' L' ' 19' ' ' CYS . 67.3 mtt85 -97.7 158.17 15.65 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.449 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' L' L ' 23' ' ' GLY . . . . . 0.869 ' HA2' ' HD2' ' J' ' 28' ' ' PRO . . . -103.92 -159.86 24.57 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.833 -0.699 . . . . 0.0 111.931 179.631 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' L' L ' 24' ' ' PHE . . . . . 0.877 ' HZ ' HG13 ' L' ' 12' ' ' VAL . 6.0 p90 -171.74 -175.55 1.57 Allowed 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' L' L ' 25' ' ' PHE . . . . . . . . . . . . . 9.4 p90 -125.75 150.51 47.68 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 178.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' L' L ' 26' ' ' TYR . . . . . 0.422 ' OH ' ' HA3' ' L' ' 8' ' ' GLY . 72.2 t80 -145.21 119.69 9.68 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.7 -0.4 . . . . 0.0 111.248 -179.336 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' L' L ' 27' ' ' THR . . . . . 0.741 HG22 ' HA3' ' J' ' 23' ' ' GLY . 6.6 p -124.11 99.28 37.74 Favored Pre-proline 0 C--N 1.321 -0.674 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.847 178.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' L' L ' 28' ' ' PRO . . . . . 0.876 ' HD2' ' HA2' ' J' ' 23' ' ' GLY . 65.2 Cg_endo -74.42 55.63 3.68 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 123.215 2.61 . . . . 0.0 113.794 -178.525 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' L' L ' 29' ' ' LYS . . . . . . . . . . . . . 4.7 ttpm? . . . . . 0 C--N 1.322 -0.601 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 178.56 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.352 0 N-CA-C 112.191 -0.364 . . . . 0.0 112.191 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.7 tt -164.6 -38.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 120.999 0.428 . . . . 0.0 110.615 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.417 ' CG1' ' HG3' ' B' ' 4' ' ' GLN . 97.7 t -65.7 -48.22 83.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.404 0.621 . . . . 0.0 110.609 179.563 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.521 ' H ' ' CD ' ' A' ' 4' ' ' GLU . 0.4 OUTLIER -68.22 -18.77 64.66 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.453 -179.713 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.491 ' HG2' ' SG ' ' A' ' 11' ' ' CYS . 36.4 tt0 -98.69 -39.98 8.4 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 -177.574 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 84.2 m -104.21 -35.53 7.98 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 114.226 1.195 . . . . 0.0 114.226 -177.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.637 ' HB2' HD11 ' B' ' 11' ' ' LEU . 52.1 t -73.3 -13.15 61.07 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 121.827 -0.546 . . . . 0.0 111.094 -178.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.15 -61.08 1.92 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.123 179.472 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.465 ' O ' ' HB ' ' A' ' 10' ' ' ILE . 70.7 m -151.1 31.57 0.61 Allowed 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.477 HG12 ' HB3' ' F' ' 5' ' ' HIS . 1.7 mp 72.63 145.23 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 178.709 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.491 ' SG ' ' HG2' ' A' ' 5' ' ' GLN . 95.8 m -104.85 171.97 7.04 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.596 179.3 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.7 m -81.06 168.01 19.12 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.698 0.285 . . . . 0.0 110.447 178.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.441 ' HG ' ' CG1' ' B' ' 18' ' ' VAL . 10.1 tt -57.39 -54.08 50.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.941 -178.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -69.49 -17.62 63.62 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -178.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -70.7 -36.91 73.51 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 178.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.438 ' HB3' HD23 ' B' ' 15' ' ' LEU . 89.8 mt -71.98 -31.45 66.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.545 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -62.36 -22.03 65.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.295 -179.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -70.54 -10.33 58.96 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.535 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -104.41 3.6 32.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.655 0.264 . . . . 0.0 110.852 -179.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 68.4 m -67.99 161.06 27.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.248 0.547 . . . . 0.0 112.1 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.9 m120 . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.096 -0.954 . . . . 0.0 109.771 179.2 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 54.9 t80 . . . . . 0 N--CA 1.483 1.193 0 N-CA-C 111.207 0.077 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 28.2 m 46.54 -147.28 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 124.072 0.949 . . . . 0.0 112.613 -179.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -159.85 -172.46 3.66 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -178.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . 0.818 ' HA ' ' HB3' ' B' ' 7' ' ' CYS . 0.1 OUTLIER -56.55 -25.38 51.93 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 122.671 0.389 . . . . 0.0 110.199 179.285 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . 0.506 ' NE2' ' HG ' ' D' ' 17' ' ' LEU . 35.0 t60 -58.63 -18.31 29.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.263 179.372 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 35.8 mt -127.13 -8.0 5.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.278 0.561 . . . . 0.0 110.288 178.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . 0.818 ' HB3' ' HA ' ' B' ' 4' ' ' GLN . 5.4 t -89.76 -43.97 10.31 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.854 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . 0.549 ' HA2' HD12 ' B' ' 11' ' ' LEU . . . -62.67 -27.7 70.3 Favored Glycine 0 N--CA 1.45 -0.389 0 CA-C-N 116.149 -0.478 . . . . 0.0 113.302 -179.472 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . 0.864 ' HB2' ' HG2' ' D' ' 13' ' ' GLU . 38.8 p -62.03 -24.7 67.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.935 0.398 . . . . 0.0 111.313 -179.353 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . 0.469 ' HA ' ' HG3' ' B' ' 13' ' ' GLU . 98.4 m-70 -99.23 -17.51 18.08 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.879 0.371 . . . . 0.0 111.193 -179.122 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.637 HD11 ' HB2' ' A' ' 7' ' ' CYS . 52.9 mt -71.09 -40.32 71.61 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 177.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.581 ' HA ' HD12 ' B' ' 15' ' ' LEU . 3.1 m -68.59 -27.26 35.62 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-N 115.039 -0.982 . . . . 0.0 111.904 179.578 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.868 ' HG2' ' HB2' ' D' ' 9' ' ' SER . 39.8 mt-10 -59.98 -46.88 88.01 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-O 121.458 0.647 . . . . 0.0 109.774 179.425 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.35 -26.59 52.15 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.375 179.071 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.581 HD12 ' HA ' ' B' ' 12' ' ' VAL . 12.8 mt -55.28 -57.43 11.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.977 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . 1.032 ' HB3' ' HE2' ' B' ' 24' ' ' PHE . 18.5 p90 -74.34 -27.21 60.58 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 119.89 -0.724 . . . . 0.0 111.393 -179.091 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.512 ' HG ' ' NE2' ' D' ' 5' ' ' HIS . 7.2 tt -67.1 -51.4 54.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.169 179.745 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.441 ' CG1' ' HG ' ' A' ' 13' ' ' LEU . 77.7 t -70.7 -35.95 62.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.141 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 37.9 t -66.25 -23.21 66.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.82 0.343 . . . . 0.0 111.24 -179.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.53 25.8 27.0 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.346 -0.931 . . . . 0.0 111.957 179.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 64.43 24.39 13.16 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.983 0.734 . . . . 0.0 112.983 179.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 65.0 mtt180 -70.45 -39.2 74.46 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.825 0.822 . . . . 0.0 108.896 178.3 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . 0.724 ' HA3' HG22 ' D' ' 27' ' ' THR . . . 127.7 162.29 11.05 Favored Glycine 0 N--CA 1.441 -1.003 0 CA-C-N 114.393 -1.276 . . . . 0.0 110.319 -178.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . 1.032 ' HE2' ' HB3' ' B' ' 16' ' ' TYR . 37.5 p90 -165.02 173.77 11.18 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 117.298 0.549 . . . . 0.0 110.512 -179.646 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 5.2 p90 -126.36 139.54 53.2 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.373 178.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -131.18 104.37 7.03 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . 0.748 HG22 ' HA3' ' D' ' 23' ' ' GLY . 7.5 p -122.82 95.45 46.37 Favored Pre-proline 0 C--N 1.318 -0.762 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.808 -179.179 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -80.81 40.05 0.94 Allowed 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.946 2.431 . . . . 0.0 111.3 179.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -128.13 90.74 3.14 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.816 -1.084 . . . . 0.0 109.504 -179.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 13.1 t . . . . . 0 C--O 1.246 0.883 0 CA-C-O 118.84 -0.6 . . . . 0.0 109.568 -179.054 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.462 0 N-CA-C 112.092 -0.403 . . . . 0.0 112.092 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 9.4 tt -167.41 -37.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-O 120.763 0.316 . . . . 0.0 110.762 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 3' ' ' VAL . . . . . 0.438 ' CG1' ' HG3' ' D' ' 4' ' ' GLN . 90.6 t -66.97 -46.88 83.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.382 0.61 . . . . 0.0 110.936 179.369 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 4' ' ' GLU . . . . . 0.534 ' H ' ' CD ' ' C' ' 4' ' ' GLU . 0.4 OUTLIER -68.94 -20.88 64.21 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.001 -179.782 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 5' ' ' GLN . . . . . 0.473 ' HG2' ' SG ' ' C' ' 11' ' ' CYS . 36.0 tt0 -96.71 -40.18 9.1 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -177.459 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 84.4 m -103.89 -35.49 8.14 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 114.28 1.215 . . . . 0.0 114.28 -176.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 7' ' ' CYS . . . . . 0.65 ' HB2' HD11 ' D' ' 11' ' ' LEU . 52.6 t -73.23 -13.46 61.15 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.471 -0.492 . . . . 0.0 111.103 -179.045 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.97 -59.87 2.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.257 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 9' ' ' SER . . . . . 0.477 ' O ' ' HB ' ' C' ' 10' ' ' ILE . 73.7 m -152.29 31.21 0.54 Allowed 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 111.735 0.272 . . . . 0.0 111.735 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . 0.477 ' HB ' ' O ' ' C' ' 9' ' ' SER . 1.7 mp 72.96 145.15 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 178.601 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 11' ' ' CYS . . . . . 0.473 ' SG ' ' HG2' ' C' ' 5' ' ' GLN . 99.1 m -104.51 172.47 6.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.426 -0.807 . . . . 0.0 110.296 179.33 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 34.0 m -81.5 169.07 17.57 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.365 178.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 13' ' ' LEU . . . . . 0.442 ' HG ' ' CG1' ' D' ' 18' ' ' VAL . 10.2 tt -58.53 -53.81 54.17 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 123.001 0.521 . . . . 0.0 111.849 -179.104 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -69.79 -16.55 63.31 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -179.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -71.97 -37.09 69.98 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.852 0.358 . . . . 0.0 110.124 178.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 16' ' ' LEU . . . . . 0.466 ' HB3' HD23 ' D' ' 15' ' ' LEU . 87.5 mt -71.92 -30.41 65.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.796 179.627 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -63.14 -21.1 65.97 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.273 -179.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -71.57 -9.05 57.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.323 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -105.96 4.37 29.41 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.78 0.324 . . . . 0.0 110.777 -179.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 67.1 m -68.99 159.97 31.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.391 0.615 . . . . 0.0 111.788 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 2.7 m120 . . . . . 0 C--O 1.252 1.206 0 CA-C-O 118.416 -0.802 . . . . 0.0 110.015 179.232 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 57.9 t80 . . . . . 0 N--CA 1.483 1.196 0 N-CA-C 111.264 0.098 . . . . 0.0 111.264 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' D' D ' 2' ' ' VAL . . . . . 0.412 ' HB ' HD11 ' G' ' 10' ' ' ILE . 28.6 m 45.69 -146.54 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 124.059 0.944 . . . . 0.0 112.544 -179.055 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 3' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -160.45 -173.27 3.91 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 -178.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 4' ' ' GLN . . . . . 0.796 ' HA ' ' HB3' ' D' ' 7' ' ' CYS . 0.0 OUTLIER -56.4 -24.72 46.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.842 0.353 . . . . 0.0 110.204 179.572 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D ' 5' ' ' HIS . . . . . 0.512 ' NE2' ' HG ' ' B' ' 17' ' ' LEU . 34.9 t60 -58.78 -18.49 32.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.85 -0.613 . . . . 0.0 111.301 179.376 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 6' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' D' ' 6' ' ' LEU . 35.3 mt -126.66 -9.26 6.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.262 0.554 . . . . 0.0 110.333 178.492 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 7' ' ' CYS . . . . . 0.796 ' HB3' ' HA ' ' D' ' 4' ' ' GLN . 5.9 t -88.3 -43.67 11.38 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.149 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 8' ' ' GLY . . . . . 0.538 ' HA2' HD12 ' D' ' 11' ' ' LEU . . . -62.42 -28.63 71.42 Favored Glycine 0 N--CA 1.45 -0.413 0 CA-C-N 116.059 -0.519 . . . . 0.0 113.379 -179.397 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 9' ' ' SER . . . . . 0.868 ' HB2' ' HG2' ' B' ' 13' ' ' GLU . 38.3 p -61.56 -24.83 66.91 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.947 0.403 . . . . 0.0 111.488 -179.283 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 10' ' ' HIS . . . . . 0.466 ' HA ' ' HG3' ' D' ' 13' ' ' GLU . 98.4 m-70 -99.04 -17.14 18.41 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.04 -179.229 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 11' ' ' LEU . . . . . 0.65 HD11 ' HB2' ' C' ' 7' ' ' CYS . 52.5 mt -71.61 -40.34 69.9 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 177.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 12' ' ' VAL . . . . . 0.593 ' HA ' HD12 ' D' ' 15' ' ' LEU . 3.2 m -68.87 -27.12 34.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.097 -0.956 . . . . 0.0 111.802 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 13' ' ' GLU . . . . . 0.864 ' HG2' ' HB2' ' B' ' 9' ' ' SER . 41.1 mt-10 -59.84 -46.69 88.48 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.327 0.584 . . . . 0.0 109.771 179.379 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.39 -26.54 51.91 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.464 179.3 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 15' ' ' LEU . . . . . 0.593 HD12 ' HA ' ' D' ' 12' ' ' VAL . 12.9 mt -55.66 -57.29 12.6 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.899 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 16' ' ' TYR . . . . . 1.064 ' HB3' ' HE2' ' D' ' 24' ' ' PHE . 18.7 p90 -74.18 -27.57 60.88 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 119.665 -0.814 . . . . 0.0 111.262 -179.058 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . 0.506 ' HG ' ' NE2' ' B' ' 5' ' ' HIS . 7.0 tt -67.03 -50.94 60.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.91 0.386 . . . . 0.0 110.34 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . 0.442 ' CG1' ' HG ' ' C' ' 13' ' ' LEU . 76.7 t -70.83 -37.15 67.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.123 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 19' ' ' CYS . . . . . . . . . . . . . 37.7 t -64.71 -24.62 67.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.32 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.33 27.45 20.43 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.37 -0.919 . . . . 0.0 111.911 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 63.07 23.3 13.89 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 179.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 22' ' ' ARG . . . . . . . . . . . . . 66.2 mtt180 -69.49 -41.42 76.16 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 121.995 0.902 . . . . 0.0 108.661 178.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 23' ' ' GLY . . . . . 0.748 ' HA3' HG22 ' B' ' 27' ' ' THR . . . 129.72 162.77 10.94 Favored Glycine 0 N--CA 1.44 -1.068 0 CA-C-N 114.325 -1.307 . . . . 0.0 110.201 -178.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 24' ' ' PHE . . . . . 1.064 ' HE2' ' HB3' ' D' ' 16' ' ' TYR . 37.8 p90 -164.91 174.49 10.5 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 117.134 0.467 . . . . 0.0 110.603 -179.733 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 25' ' ' PHE . . . . . . . . . . . . . 5.0 p90 -126.88 139.44 53.07 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.367 178.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 26' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -131.29 103.52 6.51 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.174 0.511 . . . . 0.0 109.74 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 27' ' ' THR . . . . . 0.724 HG22 ' HA3' ' B' ' 23' ' ' GLY . 8.4 p -121.8 95.39 47.83 Favored Pre-proline 0 C--N 1.318 -0.798 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.894 -179.334 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 28' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -81.36 43.37 1.52 Allowed 'Trans proline' 0 N--CA 1.463 -0.286 0 C-N-CA 122.727 2.285 . . . . 0.0 110.954 179.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -131.36 90.23 2.83 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.68 -1.146 . . . . 0.0 109.31 -178.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 14.5 t . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.756 -0.64 . . . . 0.0 109.979 -178.807 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.667 0 N-CA-C 112.215 -0.354 . . . . 0.0 112.215 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' E' E ' 2' ' ' ILE . . . . . . . . . . . . . 9.4 tt -167.45 -36.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 120.743 0.306 . . . . 0.0 110.787 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 3' ' ' VAL . . . . . 0.442 ' O ' ' HB3' ' E' ' 7' ' ' CYS . 97.4 t -67.77 -47.13 80.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.253 0.549 . . . . 0.0 110.309 179.414 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 4' ' ' GLU . . . . . 0.526 ' H ' ' CD ' ' E' ' 4' ' ' GLU . 0.4 OUTLIER -68.69 -20.23 64.41 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.38 -179.778 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' E' E ' 5' ' ' GLN . . . . . 0.521 ' HG2' ' SG ' ' E' ' 11' ' ' CYS . 37.4 tt0 -97.74 -39.89 8.83 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 -177.486 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 6' ' ' CYS . . . . . . . . . . . . . 85.9 m -103.92 -35.94 7.96 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 -176.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 7' ' ' CYS . . . . . 0.666 ' HB2' HD11 ' F' ' 11' ' ' LEU . 52.8 t -73.39 -12.47 60.83 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.546 -0.462 . . . . 0.0 111.048 -178.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.51 -59.22 2.83 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.26 179.556 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 9' ' ' SER . . . . . 0.477 ' O ' ' HB ' ' E' ' 10' ' ' ILE . 66.7 m -153.27 31.52 0.48 Allowed 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 111.844 0.313 . . . . 0.0 111.844 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 10' ' ' ILE . . . . . 0.477 ' HB ' ' O ' ' E' ' 9' ' ' SER . 1.7 mp 72.66 144.94 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 CA-C-O 121.456 0.646 . . . . 0.0 112.729 178.677 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 11' ' ' CYS . . . . . 0.521 ' SG ' ' HG2' ' E' ' 5' ' ' GLN . 98.3 m -104.1 173.01 6.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.254 -0.884 . . . . 0.0 110.194 179.422 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 12' ' ' SER . . . . . . . . . . . . . 45.7 m -83.01 168.44 16.97 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.685 0.278 . . . . 0.0 110.476 178.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 13' ' ' LEU . . . . . 0.437 ' HG ' ' CG1' ' F' ' 18' ' ' VAL . 10.1 tt -57.24 -54.18 49.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.862 -178.697 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -69.58 -17.23 63.53 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -179.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -70.55 -37.59 74.06 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 178.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 16' ' ' LEU . . . . . 0.448 ' HB3' HD23 ' F' ' 15' ' ' LEU . 86.1 mt -71.77 -30.54 65.67 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.892 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 17' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -63.29 -20.19 65.25 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.477 -179.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 18' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -71.97 -11.88 60.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.886 0.375 . . . . 0.0 111.116 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 19' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -103.29 5.09 37.23 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.83 0.348 . . . . 0.0 111.289 -179.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 20' ' ' CYS . . . . . . . . . . . . . 67.0 m -69.33 160.02 32.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.3 0.572 . . . . 0.0 111.85 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 21' ' ' ASN . . . . . . . . . . . . . 2.7 m120 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.321 -0.847 . . . . 0.0 110.563 179.594 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' F' F ' 1' ' ' PHE . . . . . . . . . . . . . 55.6 t80 . . . . . 0 N--CA 1.484 1.254 0 N-CA-C 111.3 0.111 . . . . 0.0 111.3 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' F' F ' 2' ' ' VAL . . . . . 0.404 ' HB ' HD11 ' A' ' 10' ' ' ILE . 27.5 m 46.53 -147.36 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 124.194 0.997 . . . . 0.0 112.418 -179.247 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 3' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -159.47 -171.95 3.52 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 -178.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 4' ' ' GLN . . . . . 0.832 ' HA ' ' HB3' ' F' ' 7' ' ' CYS . 0.0 OUTLIER -57.42 -24.06 53.27 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 122.635 0.374 . . . . 0.0 110.162 179.477 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' F' F ' 5' ' ' HIS . . . . . 0.503 ' NE2' ' HG ' ' H' ' 17' ' ' LEU . 35.8 t60 -59.42 -18.05 35.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.337 179.375 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 6' ' ' LEU . . . . . 0.404 HD12 HG11 ' F' ' 2' ' ' VAL . 32.4 mt -127.26 -8.98 5.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.237 0.541 . . . . 0.0 110.132 178.629 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 7' ' ' CYS . . . . . 0.832 ' HB3' ' HA ' ' F' ' 4' ' ' GLN . 6.4 t -88.63 -43.68 11.17 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.053 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 8' ' ' GLY . . . . . 0.507 ' HA2' HD12 ' F' ' 11' ' ' LEU . . . -62.74 -28.27 71.34 Favored Glycine 0 N--CA 1.451 -0.313 0 CA-C-N 116.038 -0.528 . . . . 0.0 113.323 -179.423 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 9' ' ' SER . . . . . 0.853 ' HB2' ' HG2' ' H' ' 13' ' ' GLU . 28.8 p -61.77 -24.75 67.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.903 0.382 . . . . 0.0 111.415 -179.284 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 10' ' ' HIS . . . . . 0.48 ' HA ' ' HG3' ' F' ' 13' ' ' GLU . 98.4 m-70 -99.09 -17.2 18.34 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.854 0.359 . . . . 0.0 111.174 -179.192 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 11' ' ' LEU . . . . . 0.666 HD11 ' HB2' ' E' ' 7' ' ' CYS . 53.7 mt -71.47 -40.51 70.23 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 177.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 12' ' ' VAL . . . . . 0.596 ' HA ' HD12 ' F' ' 15' ' ' LEU . 2.9 m -68.37 -27.66 37.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 CA-C-N 114.975 -1.011 . . . . 0.0 111.767 179.495 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 13' ' ' GLU . . . . . 0.852 ' HG2' ' HB2' ' H' ' 9' ' ' SER . 39.8 mt-10 -59.32 -46.97 87.13 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.376 0.608 . . . . 0.0 109.849 179.274 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.47 -26.65 51.59 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.45 179.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 15' ' ' LEU . . . . . 0.596 HD12 ' HA ' ' F' ' 12' ' ' VAL . 12.7 mt -55.53 -57.2 12.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.974 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 16' ' ' TYR . . . . . 1.095 ' HB3' ' HE2' ' F' ' 24' ' ' PHE . 19.0 p90 -74.37 -27.58 60.72 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 119.7 -0.8 . . . . 0.0 111.254 -179.087 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 17' ' ' LEU . . . . . 0.509 ' HG ' ' NE2' ' H' ' 5' ' ' HIS . 7.2 tt -67.0 -50.41 62.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.332 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . 0.437 ' CG1' ' HG ' ' E' ' 13' ' ' LEU . 79.7 t -71.36 -37.42 65.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.977 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 19' ' ' CYS . . . . . . . . . . . . . 35.8 t -64.32 -25.23 67.95 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.291 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.4 25.98 22.11 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.092 -1.051 . . . . 0.0 111.72 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 64.05 24.11 13.44 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 179.077 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 22' ' ' ARG . . . . . . . . . . . . . 64.3 mtt180 -69.76 -40.6 76.0 Favored 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 178.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 23' ' ' GLY . . . . . 0.75 ' HA3' HG22 ' H' ' 27' ' ' THR . . . 128.86 162.81 11.08 Favored Glycine 0 N--CA 1.44 -1.073 0 CA-C-N 114.151 -1.386 . . . . 0.0 110.332 -178.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 24' ' ' PHE . . . . . 1.095 ' HE2' ' HB3' ' F' ' 16' ' ' TYR . 37.9 p90 -164.84 174.48 10.56 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 117.28 0.54 . . . . 0.0 110.518 -179.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 25' ' ' PHE . . . . . . . . . . . . . 5.2 p90 -127.06 139.59 52.89 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 178.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 26' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -131.46 103.82 6.64 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.183 0.516 . . . . 0.0 109.76 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 27' ' ' THR . . . . . 0.731 HG22 ' HA3' ' H' ' 23' ' ' GLY . 11.4 p -121.98 96.0 47.12 Favored Pre-proline 0 C--N 1.319 -0.743 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.808 -179.476 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 28' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -80.59 39.44 0.85 Allowed 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.692 2.261 . . . . 0.0 111.162 179.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 29' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -127.69 91.85 3.37 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.072 -0.967 . . . . 0.0 109.361 -179.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 30' ' ' THR . . . . . . . . . . . . . 14.7 t . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.764 -0.636 . . . . 0.0 109.564 -179.153 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' G' G ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.893 0 N-CA-C 112.72 -0.152 . . . . 0.0 112.72 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' G' G ' 2' ' ' ILE . . . . . . . . . . . . . 9.8 tt -165.76 -37.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 120.887 0.375 . . . . 0.0 110.542 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 3' ' ' VAL . . . . . 0.412 ' CG1' ' HG3' ' H' ' 4' ' ' GLN . 93.4 t -66.19 -47.92 83.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.316 0.579 . . . . 0.0 110.498 179.259 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' G' G ' 4' ' ' GLU . . . . . 0.53 ' H ' ' CD ' ' G' ' 4' ' ' GLU . 0.3 OUTLIER -68.62 -18.01 64.22 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.32 -0.855 . . . . 0.0 111.593 -179.698 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' G' G ' 5' ' ' GLN . . . . . 0.497 ' HG2' ' SG ' ' G' ' 11' ' ' CYS . 36.4 tt0 -99.38 -40.67 7.77 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 -177.48 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' G' G ' 6' ' ' CYS . . . . . . . . . . . . . 85.8 m -103.29 -36.19 8.15 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 114.274 1.213 . . . . 0.0 114.274 -176.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 7' ' ' CYS . . . . . 0.65 ' HB2' HD11 ' H' ' 11' ' ' LEU . 52.8 t -73.36 -12.37 60.8 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 118.279 0.491 . . . . 0.0 111.306 -178.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' G' G ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.77 -60.54 2.18 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.002 179.503 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' G' G ' 9' ' ' SER . . . . . 0.45 ' O ' ' HB ' ' G' ' 10' ' ' ILE . 71.3 m -151.81 33.06 0.55 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.665 0.246 . . . . 0.0 111.665 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' G' G ' 10' ' ' ILE . . . . . 0.484 HG12 ' HB3' ' D' ' 5' ' ' HIS . 1.8 mp 71.4 145.79 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 N-CA-C 112.855 0.687 . . . . 0.0 112.855 178.617 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' G' G ' 11' ' ' CYS . . . . . 0.497 ' SG ' ' HG2' ' G' ' 5' ' ' GLN . 98.8 m -105.13 172.36 6.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.35 179.261 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' G' G ' 12' ' ' SER . . . . . . . . . . . . . 48.4 m -81.88 168.54 17.83 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.731 0.301 . . . . 0.0 110.507 178.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 13' ' ' LEU . . . . . 0.418 ' HG ' ' CG1' ' H' ' 18' ' ' VAL . 10.2 tt -57.55 -54.25 48.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.925 -178.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -69.34 -17.54 63.72 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -179.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -70.58 -37.54 73.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.792 0.329 . . . . 0.0 110.135 178.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 16' ' ' LEU . . . . . 0.43 ' HB3' HD23 ' H' ' 15' ' ' LEU . 90.3 mt -71.56 -31.13 66.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.727 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' G' G ' 17' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -62.62 -20.61 64.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.603 -179.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 18' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -71.28 -11.99 61.21 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.907 0.384 . . . . 0.0 111.15 179.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 19' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -102.95 4.65 37.71 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.795 0.331 . . . . 0.0 111.044 -179.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 20' ' ' CYS . . . . . . . . . . . . . 67.6 m -69.4 158.39 35.2 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.369 0.604 . . . . 0.0 112.057 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 21' ' ' ASN . . . . . . . . . . . . . 2.8 m120 . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.379 -0.82 . . . . 0.0 109.887 179.029 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' H' H ' 1' ' ' PHE . . . . . . . . . . . . . 54.9 t80 . . . . . 0 N--CA 1.483 1.213 0 CA-C-O 120.437 0.16 . . . . 0.0 111.303 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' H' H ' 2' ' ' VAL . . . . . 0.407 ' HB ' HD11 ' K' ' 10' ' ' ILE . 27.7 m 45.94 -147.49 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 C-N-CA 124.125 0.97 . . . . 0.0 112.437 -179.252 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' H' H ' 3' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -159.17 -171.92 3.56 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 122.094 -0.379 . . . . 0.0 110.024 -178.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 4' ' ' GLN . . . . . 0.822 ' HA ' ' HB3' ' H' ' 7' ' ' CYS . 0.0 OUTLIER -56.49 -25.99 52.99 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 123.413 0.446 . . . . 0.0 110.204 179.369 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' H' H ' 5' ' ' HIS . . . . . 0.509 ' NE2' ' HG ' ' F' ' 17' ' ' LEU . 34.5 t60 -57.68 -18.81 22.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.493 179.453 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' H' H ' 6' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' H' ' 6' ' ' LEU . 35.3 mt -126.58 -9.38 6.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.41 0.624 . . . . 0.0 110.358 178.42 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' H' H ' 7' ' ' CYS . . . . . 0.822 ' HB3' ' HA ' ' H' ' 4' ' ' GLN . 6.0 t -88.15 -43.76 11.41 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.061 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' H' H ' 8' ' ' GLY . . . . . 0.542 ' HA2' HD12 ' H' ' 11' ' ' LEU . . . -62.62 -28.16 70.99 Favored Glycine 0 N--CA 1.45 -0.367 0 CA-C-N 116.08 -0.509 . . . . 0.0 113.422 -179.271 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' H' H ' 9' ' ' SER . . . . . 0.852 ' HB2' ' HG2' ' F' ' 13' ' ' GLU . 36.9 p -61.98 -24.56 67.1 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.946 0.403 . . . . 0.0 111.42 -179.269 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' H' H ' 10' ' ' HIS . . . . . 0.456 ' HA ' ' HG3' ' H' ' 13' ' ' GLU . 98.3 m-70 -98.92 -17.4 18.38 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.868 0.366 . . . . 0.0 111.11 -179.37 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' H' H ' 11' ' ' LEU . . . . . 0.65 HD11 ' HB2' ' G' ' 7' ' ' CYS . 48.9 mt -71.28 -40.51 70.85 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 177.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' H' H ' 12' ' ' VAL . . . . . 0.599 ' HA ' HD12 ' H' ' 15' ' ' LEU . 3.0 m -68.52 -27.45 36.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.074 -0.966 . . . . 0.0 111.898 179.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' H' H ' 13' ' ' GLU . . . . . 0.853 ' HG2' ' HB2' ' F' ' 9' ' ' SER . 40.4 mt-10 -59.57 -46.58 88.51 Favored 'General case' 0 CA--C 1.521 -0.138 0 CA-C-O 121.364 0.602 . . . . 0.0 109.844 179.277 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' H' H ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.79 -26.54 49.75 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.517 179.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 15' ' ' LEU . . . . . 0.599 HD12 ' HA ' ' H' ' 12' ' ' VAL . 12.9 mt -55.48 -57.62 11.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.246 -0.433 . . . . 0.0 112.042 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' H' H ' 16' ' ' TYR . . . . . 1.06 ' HB3' ' HE2' ' H' ' 24' ' ' PHE . 18.3 p90 -74.14 -27.48 60.87 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 119.781 -0.767 . . . . 0.0 111.25 -179.071 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' H' H ' 17' ' ' LEU . . . . . 0.503 ' HG ' ' NE2' ' F' ' 5' ' ' HIS . 7.1 tt -66.85 -51.38 56.15 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.194 179.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . 0.418 ' CG1' ' HG ' ' G' ' 13' ' ' LEU . 79.7 t -70.49 -37.25 69.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.175 179.703 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' H' H ' 19' ' ' CYS . . . . . . . . . . . . . 36.5 t -64.61 -24.11 67.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.388 -179.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.88 26.96 23.0 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.325 -0.94 . . . . 0.0 111.881 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 21' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 63.26 24.44 14.3 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 179.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 22' ' ' ARG . . . . . . . . . . . . . 69.0 mtt180 -70.12 -39.51 75.4 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.756 0.789 . . . . 0.0 108.945 177.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 23' ' ' GLY . . . . . 0.731 ' HA3' HG22 ' F' ' 27' ' ' THR . . . 127.8 162.78 11.2 Favored Glycine 0 N--CA 1.441 -1.0 0 CA-C-N 114.191 -1.368 . . . . 0.0 110.316 -178.391 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' H' H ' 24' ' ' PHE . . . . . 1.06 ' HE2' ' HB3' ' H' ' 16' ' ' TYR . 36.5 p90 -165.19 174.39 10.32 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 117.205 0.503 . . . . 0.0 110.461 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' H' H ' 25' ' ' PHE . . . . . . . . . . . . . 4.9 p90 -126.91 139.63 52.93 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 178.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 26' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -131.23 103.42 6.46 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.09 0.471 . . . . 0.0 109.734 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 27' ' ' THR . . . . . 0.75 HG22 ' HA3' ' F' ' 23' ' ' GLY . 6.1 p -121.84 95.8 47.49 Favored Pre-proline 0 C--N 1.317 -0.813 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.853 -179.271 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' H' H ' 28' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -81.27 41.24 1.11 Allowed 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.817 2.345 . . . . 0.0 111.232 179.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 29' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -129.07 89.29 2.84 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.918 -1.037 . . . . 0.0 109.499 -178.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 30' ' ' THR . . . . . . . . . . . . . 14.9 t . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.824 -0.607 . . . . 0.0 109.547 -179.224 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' I' I ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.409 0 N-CA-C 112.355 -0.298 . . . . 0.0 112.355 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' I' I ' 2' ' ' ILE . . . . . . . . . . . . . 8.6 tt -167.36 -36.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.083 0.468 . . . . 0.0 110.753 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 3' ' ' VAL . . . . . 0.423 ' CG1' ' HG3' ' J' ' 4' ' ' GLN . 96.5 t -67.43 -48.68 76.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.329 0.585 . . . . 0.0 110.26 179.265 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' I' I ' 4' ' ' GLU . . . . . 0.533 ' CD ' ' H ' ' I' ' 4' ' ' GLU . 0.4 OUTLIER -67.15 -20.5 65.76 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.499 -179.863 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' I' I ' 5' ' ' GLN . . . . . 0.504 ' HG2' ' SG ' ' I' ' 11' ' ' CYS . 36.9 tt0 -97.11 -39.73 9.17 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 113.018 0.747 . . . . 0.0 113.018 -177.536 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' I' I ' 6' ' ' CYS . . . . . . . . . . . . . 86.2 m -104.44 -35.59 7.85 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 -176.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 7' ' ' CYS . . . . . 0.626 ' HB2' HD11 ' J' ' 11' ' ' LEU . 52.7 t -73.58 -12.88 60.91 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.411 -0.516 . . . . 0.0 111.079 -179.086 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' I' I ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.24 -60.84 2.03 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.143 179.596 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' I' I ' 9' ' ' SER . . . . . 0.455 ' O ' ' HB ' ' I' ' 10' ' ' ILE . 73.4 m -151.29 32.14 0.59 Allowed 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 111.753 0.279 . . . . 0.0 111.753 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' I' I ' 10' ' ' ILE . . . . . 0.455 ' HB ' ' O ' ' I' ' 9' ' ' SER . 1.7 mp 72.44 147.56 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 CA-C-O 121.415 0.626 . . . . 0.0 112.626 178.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' I' I ' 11' ' ' CYS . . . . . 0.504 ' SG ' ' HG2' ' I' ' 5' ' ' GLN . 96.0 m -106.94 172.35 6.87 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 123.441 0.696 . . . . 0.0 110.267 179.577 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' I' I ' 12' ' ' SER . . . . . . . . . . . . . 44.2 m -82.07 168.19 18.04 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.795 0.331 . . . . 0.0 110.445 178.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 13' ' ' LEU . . . . . 0.421 ' HG ' ' CG1' ' J' ' 18' ' ' VAL . 10.1 tt -57.0 -54.11 50.42 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.808 -179.029 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -69.97 -16.1 63.14 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -179.018 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -71.75 -37.72 70.5 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 178.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 16' ' ' LEU . . . . . 0.43 ' HB3' HD23 ' J' ' 15' ' ' LEU . 88.2 mt -71.38 -30.35 66.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.126 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' I' I ' 17' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -63.66 -20.76 65.96 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.332 -179.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 18' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -71.94 -8.17 52.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.844 0.354 . . . . 0.0 111.357 179.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 19' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -106.65 4.28 27.72 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.952 0.406 . . . . 0.0 110.842 -179.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 20' ' ' CYS . . . . . . . . . . . . . 65.8 m -69.57 158.66 34.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.914 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 21' ' ' ASN . . . . . . . . . . . . . 2.8 m120 . . . . . 0 C--O 1.249 1.057 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.057 179.229 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' J' J ' 1' ' ' PHE . . . . . . . . . . . . . 56.0 t80 . . . . . 0 N--CA 1.484 1.257 0 CA-C-O 120.371 0.129 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' J' J ' 2' ' ' VAL . . . . . 0.414 ' HB ' HD11 ' E' ' 10' ' ' ILE . 28.6 m 45.89 -146.55 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 C-N-CA 124.183 0.993 . . . . 0.0 112.58 -179.237 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' J' J ' 3' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -160.24 -173.16 3.89 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 -178.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' J' J ' 4' ' ' GLN . . . . . 0.796 ' HA ' ' HB3' ' J' ' 7' ' ' CYS . 0.0 OUTLIER -56.12 -25.5 46.19 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.843 0.354 . . . . 0.0 110.147 179.375 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' J' J ' 5' ' ' HIS . . . . . 0.525 ' NE2' ' HG ' ' L' ' 17' ' ' LEU . 34.7 t60 -58.08 -18.22 23.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.564 179.445 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' J' J ' 6' ' ' LEU . . . . . . . . . . . . . 36.5 mt -127.33 -8.79 5.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.241 0.543 . . . . 0.0 110.143 178.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' J' J ' 7' ' ' CYS . . . . . 0.796 ' HB3' ' HA ' ' J' ' 4' ' ' GLN . 6.6 t -88.96 -42.86 11.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.186 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' J' J ' 8' ' ' GLY . . . . . 0.551 ' HA2' HD12 ' J' ' 11' ' ' LEU . . . -63.26 -28.82 72.86 Favored Glycine 0 N--CA 1.452 -0.238 0 CA-C-N 116.001 -0.545 . . . . 0.0 113.155 -179.429 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' J' J ' 9' ' ' SER . . . . . 0.864 ' HB2' ' HG2' ' L' ' 13' ' ' GLU . 35.4 p -61.29 -24.89 66.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.855 0.359 . . . . 0.0 111.528 -179.372 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' J' J ' 10' ' ' HIS . . . . . 0.483 ' HA ' ' HG3' ' J' ' 13' ' ' GLU . 98.5 m-70 -98.97 -17.29 18.39 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.888 0.375 . . . . 0.0 111.1 -179.14 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' J' J ' 11' ' ' LEU . . . . . 0.626 HD11 ' HB2' ' I' ' 7' ' ' CYS . 49.5 mt -71.37 -40.46 70.61 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 177.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' J' J ' 12' ' ' VAL . . . . . 0.611 ' HA ' HD12 ' J' ' 15' ' ' LEU . 3.2 m -68.67 -27.22 35.28 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 CA-C-N 114.98 -1.009 . . . . 0.0 111.843 179.593 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' J' J ' 13' ' ' GLU . . . . . 0.864 ' HG2' ' HB2' ' L' ' 9' ' ' SER . 39.7 mt-10 -60.07 -46.11 90.66 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.342 0.592 . . . . 0.0 109.829 179.355 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' J' J ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.94 -26.47 48.94 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.357 179.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' J' J ' 15' ' ' LEU . . . . . 0.611 HD12 ' HA ' ' J' ' 12' ' ' VAL . 12.8 mt -55.77 -57.38 12.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.901 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' J' J ' 16' ' ' TYR . . . . . 1.046 ' HB3' ' HE2' ' J' ' 24' ' ' PHE . 18.4 p90 -74.07 -27.52 60.95 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 119.735 -0.786 . . . . 0.0 111.397 -179.139 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' J' J ' 17' ' ' LEU . . . . . 0.528 ' HG ' ' NE2' ' L' ' 5' ' ' HIS . 7.0 tt -66.86 -51.41 55.84 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.326 179.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' J' J ' 18' ' ' VAL . . . . . 0.421 ' CG1' ' HG ' ' I' ' 13' ' ' LEU . 74.6 t -70.52 -36.95 68.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 179.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' J' J ' 19' ' ' CYS . . . . . . . . . . . . . 37.5 t -65.54 -20.33 66.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.332 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' J' J ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.71 27.27 32.6 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.299 -0.953 . . . . 0.0 112.375 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' J' J ' 21' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 62.55 26.38 15.67 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 113.183 0.809 . . . . 0.0 113.183 179.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' J' J ' 22' ' ' ARG . . . . . . . . . . . . . 63.5 mtt180 -71.94 -40.59 68.63 Favored 'General case' 0 CA--C 1.519 -0.215 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 178.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' J' J ' 23' ' ' GLY . . . . . 0.706 ' HA3' HG22 ' L' ' 27' ' ' THR . . . 129.42 162.95 11.05 Favored Glycine 0 N--CA 1.443 -0.89 0 CA-C-N 114.167 -1.378 . . . . 0.0 110.18 -178.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' J' J ' 24' ' ' PHE . . . . . 1.046 ' HE2' ' HB3' ' J' ' 16' ' ' TYR . 36.4 p90 -165.3 173.6 11.04 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 117.261 0.53 . . . . 0.0 110.472 -179.615 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' J' J ' 25' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -126.09 139.81 53.09 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.251 178.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' J' J ' 26' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -131.31 103.71 6.61 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.042 0.449 . . . . 0.0 109.823 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' J' J ' 27' ' ' THR . . . . . 0.745 HG22 ' HA3' ' L' ' 23' ' ' GLY . 8.1 p -122.14 95.44 47.33 Favored Pre-proline 0 C--N 1.318 -0.79 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.063 -179.288 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' J' J ' 28' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_endo -80.6 40.2 0.95 Allowed 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.765 2.31 . . . . 0.0 111.235 179.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' J' J ' 29' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -128.6 89.33 2.88 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.771 -1.104 . . . . 0.0 109.501 -179.099 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' J' J ' 30' ' ' THR . . . . . . . . . . . . . 15.3 t . . . . . 0 C--O 1.248 0.99 0 CA-C-O 118.849 -0.596 . . . . 0.0 109.584 -179.361 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.166 0 N-CA-C 111.719 -0.552 . . . . 0.0 111.719 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' K' K ' 2' ' ' ILE . . . . . . . . . . . . . 9.4 tt -167.01 -37.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 120.783 0.325 . . . . 0.0 110.772 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' K' K ' 3' ' ' VAL . . . . . 0.416 ' O ' ' HB3' ' K' ' 7' ' ' CYS . 93.8 t -66.31 -48.43 81.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 121.278 0.561 . . . . 0.0 110.455 179.472 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' K' K ' 4' ' ' GLU . . . . . 0.54 ' CD ' ' H ' ' K' ' 4' ' ' GLU . 0.4 OUTLIER -67.61 -20.17 65.32 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.294 -179.831 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' K' K ' 5' ' ' GLN . . . . . 0.487 ' HG2' ' SG ' ' K' ' 11' ' ' CYS . 36.0 tt0 -97.32 -39.73 9.08 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -177.378 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' K' K ' 6' ' ' CYS . . . . . . . . . . . . . 83.4 m -104.22 -35.98 7.82 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 114.256 1.206 . . . . 0.0 114.256 -176.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' K' K ' 7' ' ' CYS . . . . . 0.659 ' HB2' HD11 ' L' ' 11' ' ' LEU . 52.6 t -73.25 -12.91 61.03 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 121.839 -0.538 . . . . 0.0 111.148 -178.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' K' K ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.47 -60.79 2.06 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.157 179.385 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' K' K ' 9' ' ' SER . . . . . 0.457 ' O ' ' HB ' ' K' ' 10' ' ' ILE . 73.0 m -151.34 31.79 0.59 Allowed 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' K' K ' 10' ' ' ILE . . . . . 0.459 HG12 ' HB3' ' H' ' 5' ' ' HIS . 1.7 mp 72.5 144.62 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.625 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 178.556 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' K' K ' 11' ' ' CYS . . . . . 0.487 ' SG ' ' HG2' ' K' ' 5' ' ' GLN . 97.0 m -104.03 172.67 6.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.316 179.382 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' K' K ' 12' ' ' SER . . . . . . . . . . . . . 42.3 m -81.91 167.88 18.5 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.747 0.308 . . . . 0.0 110.382 179.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' K' K ' 13' ' ' LEU . . . . . 0.441 ' HG ' ' CG1' ' L' ' 18' ' ' VAL . 10.2 tt -57.36 -54.07 50.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.609 -179.076 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -69.57 -17.07 63.52 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -178.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -70.5 -39.72 73.98 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 178.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' K' K ' 16' ' ' LEU . . . . . 0.442 ' HB3' HD23 ' L' ' 15' ' ' LEU . 88.3 mt -69.17 -31.29 69.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.154 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' K' K ' 17' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -62.62 -20.66 64.98 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.521 -179.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' K' K ' 18' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -71.66 -10.45 59.79 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.899 0.38 . . . . 0.0 111.215 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' K' K ' 19' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -104.49 3.96 32.59 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.963 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' K' K ' 20' ' ' CYS . . . . . . . . . . . . . 68.1 m -68.88 159.63 32.21 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.16 0.505 . . . . 0.0 112.078 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' K' K ' 21' ' ' ASN . . . . . . . . . . . . . 2.8 m120 . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.475 -0.774 . . . . 0.0 109.975 178.948 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' L' L ' 1' ' ' PHE . . . . . . . . . . . . . 55.0 t80 . . . . . 0 N--CA 1.484 1.236 0 N-CA-C 111.365 0.135 . . . . 0.0 111.365 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' L' L ' 2' ' ' VAL . . . . . . . . . . . . . 28.5 m 46.14 -146.71 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 C-N-CA 124.281 1.032 . . . . 0.0 112.579 -179.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' L' L ' 3' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -160.05 -172.22 3.53 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 -178.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' L' L ' 4' ' ' GLN . . . . . 0.822 ' HA ' ' HB3' ' L' ' 7' ' ' CYS . 0.0 OUTLIER -56.92 -25.13 56.72 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.155 179.414 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' L' L ' 5' ' ' HIS . . . . . 0.528 ' NE2' ' HG ' ' J' ' 17' ' ' LEU . 34.9 t60 -58.7 -18.05 27.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.427 179.463 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' L' L ' 6' ' ' LEU . . . . . . . . . . . . . 35.8 mt -127.03 -9.11 5.96 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.28 0.562 . . . . 0.0 109.967 178.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' L' L ' 7' ' ' CYS . . . . . 0.822 ' HB3' ' HA ' ' L' ' 4' ' ' GLN . 5.6 t -88.46 -43.7 11.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.121 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' L' L ' 8' ' ' GLY . . . . . 0.529 ' HA2' HD12 ' L' ' 11' ' ' LEU . . . -62.38 -28.6 71.33 Favored Glycine 0 N--CA 1.452 -0.249 0 CA-C-N 116.1 -0.5 . . . . 0.0 113.321 -179.438 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' L' L ' 9' ' ' SER . . . . . 0.864 ' HB2' ' HG2' ' J' ' 13' ' ' GLU . 28.2 p -61.38 -24.83 66.76 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.926 0.393 . . . . 0.0 111.526 -179.263 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' L' L ' 10' ' ' HIS . . . . . 0.478 ' HA ' ' HG3' ' L' ' 13' ' ' GLU . 98.4 m-70 -99.36 -17.18 18.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.964 0.411 . . . . 0.0 110.968 -179.237 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' L' L ' 11' ' ' LEU . . . . . 0.659 HD11 ' HB2' ' K' ' 7' ' ' CYS . 55.9 mt -71.31 -40.39 70.82 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 177.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' L' L ' 12' ' ' VAL . . . . . 0.585 ' HA ' HD12 ' L' ' 15' ' ' LEU . 3.0 m -68.64 -27.5 36.44 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-N 114.989 -1.005 . . . . 0.0 112.003 179.529 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' L' L ' 13' ' ' GLU . . . . . 0.864 ' HG2' ' HB2' ' J' ' 9' ' ' SER . 40.6 mt-10 -59.72 -46.89 87.73 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 121.347 0.594 . . . . 0.0 109.717 179.49 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' L' L ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.12 -26.97 53.82 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.495 179.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' L' L ' 15' ' ' LEU . . . . . 0.585 HD12 ' HA ' ' L' ' 12' ' ' VAL . 12.5 mt -55.29 -57.5 11.55 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.915 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' L' L ' 16' ' ' TYR . . . . . 1.056 ' HB3' ' HE2' ' L' ' 24' ' ' PHE . 19.0 p90 -74.27 -27.55 60.8 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 119.787 -0.765 . . . . 0.0 111.235 -179.062 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' L' L ' 17' ' ' LEU . . . . . 0.525 ' HG ' ' NE2' ' J' ' 5' ' ' HIS . 7.1 tt -66.54 -51.98 50.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.144 179.697 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' L' L ' 18' ' ' VAL . . . . . 0.441 ' CG1' ' HG ' ' K' ' 13' ' ' LEU . 78.0 t -69.7 -38.36 76.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.172 179.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' L' L ' 19' ' ' CYS . . . . . . . . . . . . . 36.3 t -63.95 -23.33 67.3 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.497 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' L' L ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.98 26.38 26.64 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.127 -1.035 . . . . 0.0 111.97 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' L' L ' 21' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 63.25 25.74 14.87 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 179.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' L' L ' 22' ' ' ARG . . . . . . . . . . . . . 66.5 mtt180 -70.66 -41.27 72.31 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 177.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' L' L ' 23' ' ' GLY . . . . . 0.745 ' HA3' HG22 ' J' ' 27' ' ' THR . . . 129.47 162.87 11.01 Favored Glycine 0 N--CA 1.441 -1.027 0 CA-C-N 114.152 -1.385 . . . . 0.0 109.984 -178.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' L' L ' 24' ' ' PHE . . . . . 1.056 ' HE2' ' HB3' ' L' ' 16' ' ' TYR . 37.4 p90 -164.62 174.57 10.67 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 117.192 0.496 . . . . 0.0 110.498 -179.652 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' L' L ' 25' ' ' PHE . . . . . . . . . . . . . 5.1 p90 -126.95 139.38 53.09 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 178.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' L' L ' 26' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -131.37 103.19 6.3 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.156 0.503 . . . . 0.0 109.741 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' L' L ' 27' ' ' THR . . . . . 0.706 HG22 ' HA3' ' J' ' 23' ' ' GLY . 11.1 p -121.49 95.91 47.96 Favored Pre-proline 0 C--N 1.318 -0.785 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.946 -179.322 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' L' L ' 28' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -81.14 41.51 1.16 Allowed 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.779 2.319 . . . . 0.0 111.194 179.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' L' L ' 29' ' ' LYS . . . . . . . . . . . . . 87.6 tttt . . . . . 0 C--N 1.318 -0.767 0 CA-C-N 114.816 -1.084 . . . . 0.0 109.188 -179.121 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.933 0 N-CA-C 112.118 -0.393 . . . . 0.0 112.118 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 11.4 tt -56.29 -40.24 64.87 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -179.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.474 HG11 ' HG3' ' B' ' 4' ' ' GLN . 44.9 t -64.63 -47.6 88.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.061 0.458 . . . . 0.0 110.862 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -67.11 -11.37 57.01 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.538 -179.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.548 ' HG2' ' SG ' ' A' ' 11' ' ' CYS . 34.4 tt0 -107.92 -37.91 5.97 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -178.613 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 84.6 m -97.95 -32.2 11.79 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 -177.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.45 ' HB2' HD11 ' B' ' 11' ' ' LEU . 41.5 t -78.06 -17.61 56.8 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.664 -0.415 . . . . 0.0 110.605 -179.679 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.91 -59.54 2.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.807 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.453 ' O ' ' HB ' ' A' ' 10' ' ' ILE . 45.4 m -149.01 30.39 0.79 Allowed 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.022 0.378 . . . . 0.0 112.022 -179.228 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.825 HD13 ' HB3' ' F' ' 3' ' ' ASN . 1.8 mp 71.41 142.52 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 CA-C-O 121.545 0.688 . . . . 0.0 112.688 178.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.548 ' SG ' ' HG2' ' A' ' 5' ' ' GLN . 97.7 m -104.69 160.6 14.84 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.529 -0.759 . . . . 0.0 109.889 179.114 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.6 m -69.01 158.96 33.73 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.316 179.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.8 tt -58.95 -57.34 13.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.751 0.31 . . . . 0.0 110.765 -179.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 11.3 p90 -63.32 -20.37 65.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.907 0.384 . . . . 0.0 111.2 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -70.95 -37.2 72.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.054 0.454 . . . . 0.0 109.993 179.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.535 ' HB3' HD23 ' B' ' 15' ' ' LEU . 92.1 mt -69.76 -28.67 65.97 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.22 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 77.3 tt0 -66.22 -17.68 64.88 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.991 -179.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -74.22 -6.24 46.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.112 0.482 . . . . 0.0 110.611 179.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -109.47 -102.41 0.38 Allowed 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 178.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.413 ' HB3' ' H ' ' A' ' 21' ' ' ASN . 35.5 m 51.63 -126.78 2.4 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 112.516 0.562 . . . . 0.0 112.516 178.44 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.413 ' H ' ' HB3' ' A' ' 20' ' ' CYS . 0.7 OUTLIER . . . . . 0 C--O 1.247 0.954 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 -179.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 51.4 t80 . . . . . 0 N--CA 1.482 1.156 0 CA-C-O 120.236 0.065 . . . . 0.0 111.068 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 20.5 m 40.39 -125.84 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 123.929 0.891 . . . . 0.0 112.793 -179.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . 0.824 ' HB3' HD13 ' I' ' 10' ' ' ILE . 20.2 t-20 -164.79 164.08 21.17 Favored 'General case' 0 C--O 1.237 0.409 0 O-C-N 122.372 -0.205 . . . . 0.0 110.467 -178.585 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . 0.474 ' HG3' HG11 ' A' ' 3' ' ' VAL . 19.0 tt0 -51.36 -29.52 15.7 Favored 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 123.262 0.625 . . . . 0.0 110.848 179.013 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -53.77 -20.82 6.16 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.303 179.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' B' ' 6' ' ' LEU . 21.7 mt -114.45 -39.73 3.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.814 0.34 . . . . 0.0 110.719 179.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 46.8 t -66.76 -44.31 81.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.477 -179.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.33 -35.66 91.96 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.848 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . 0.515 ' O ' HG22 ' B' ' 12' ' ' VAL . 1.7 m -61.14 -33.29 73.16 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -179.437 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -88.82 -6.99 56.98 Favored 'General case' 0 CA--C 1.509 -0.596 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 -178.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.45 HD11 ' HB2' ' A' ' 7' ' ' CYS . 45.7 mt -73.02 -17.96 61.39 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 177.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.898 HG21 HG21 ' D' ' 12' ' ' VAL . 5.0 m -71.26 -34.97 56.12 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.475 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.661 179.31 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -56.1 -42.33 76.64 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-O 121.843 0.83 . . . . 0.0 108.844 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.15 -50.25 42.36 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 114.483 -1.235 . . . . 0.0 110.823 178.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.535 HD23 ' HB3' ' A' ' 16' ' ' LEU . 91.4 mt -58.18 -56.49 21.36 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.239 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . 0.466 ' HB2' ' O ' ' B' ' 12' ' ' VAL . 1.0 OUTLIER -47.16 -44.41 21.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.479 -179.527 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -62.81 -45.83 90.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.139 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 57.8 t -70.75 -37.7 69.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.124 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . 0.46 ' HB3' ' HB2' ' B' ' 22' ' ' ARG . 77.6 m -65.19 -28.01 69.09 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.212 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.74 -110.45 3.03 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.707 -0.758 . . . . 0.0 111.881 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -94.11 -3.61 50.77 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.79 0.328 . . . . 0.0 110.998 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . 0.46 ' HB2' ' HB3' ' B' ' 19' ' ' CYS . 78.4 mtt180 -82.27 167.55 18.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.052 0.453 . . . . 0.0 110.105 178.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . 0.477 ' HA3' ' HD2' ' D' ' 28' ' ' PRO . . . -103.91 -152.73 22.91 Favored Glycine 0 N--CA 1.44 -1.049 0 N-CA-C 109.66 -1.376 . . . . 0.0 109.66 177.104 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . 0.784 ' CZ ' ' HB ' ' B' ' 12' ' ' VAL . 3.0 p90 -166.52 141.19 4.27 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.688 0.756 . . . . 0.0 111.589 178.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . 0.672 ' HA ' ' HA ' ' D' ' 25' ' ' PHE . 3.0 p90 -99.24 90.85 4.71 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 178.066 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.427 ' OH ' HD12 ' B' ' 11' ' ' LEU . 8.1 t80 -83.01 91.74 7.23 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.533 -178.089 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 16.0 p -110.04 94.66 18.41 Favored Pre-proline 0 C--N 1.319 -0.745 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.432 179.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . 0.472 ' HD2' ' HA3' ' D' ' 23' ' ' GLY . 74.6 Cg_endo -78.27 52.57 4.15 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.775 2.317 . . . . 0.0 112.218 -179.272 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 44.4 tttm -153.55 142.6 21.28 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.481 -0.782 . . . . 0.0 109.431 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 7.4 m . . . . . 0 C--O 1.255 1.367 0 CA-C-O 117.882 -1.056 . . . . 0.0 108.545 178.795 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.192 0 N-CA-C 111.737 -0.545 . . . . 0.0 111.737 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 10.8 tt -59.43 -38.78 76.88 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 C-N-CA 122.749 0.42 . . . . 0.0 111.999 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 3' ' ' VAL . . . . . 0.51 HG11 ' HG3' ' D' ' 4' ' ' GLN . 47.5 t -66.12 -46.7 87.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.221 0.534 . . . . 0.0 110.807 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -67.41 -10.95 56.2 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.663 -0.699 . . . . 0.0 112.153 -179.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 5' ' ' GLN . . . . . 0.542 ' HG2' ' SG ' ' C' ' 11' ' ' CYS . 34.3 tt0 -108.69 -37.27 5.95 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -178.457 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 86.2 m -98.79 -32.07 11.55 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 113.53 0.937 . . . . 0.0 113.53 -177.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 7' ' ' CYS . . . . . 0.451 ' HB2' HD11 ' D' ' 11' ' ' LEU . 41.7 t -78.19 -17.1 57.22 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 122.059 -0.4 . . . . 0.0 110.725 -179.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.4 -59.87 2.6 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.558 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 9' ' ' SER . . . . . 0.409 ' O ' ' HB ' ' C' ' 10' ' ' ILE . 46.6 m -149.39 31.79 0.74 Allowed 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.068 0.395 . . . . 0.0 112.068 -179.251 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . 0.801 HD13 ' HB3' ' L' ' 3' ' ' ASN . 1.8 mp 70.22 142.28 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 178.726 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 11' ' ' CYS . . . . . 0.542 ' SG ' ' HG2' ' C' ' 5' ' ' GLN . 95.7 m -104.12 160.73 14.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.276 178.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 4.9 m -68.47 159.13 32.29 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.463 179.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 6.9 tt -59.86 -56.02 26.9 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.645 0.26 . . . . 0.0 110.842 -179.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 11.3 p90 -64.76 -19.74 65.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.804 0.335 . . . . 0.0 111.303 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -71.21 -37.23 72.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.053 -0.522 . . . . 0.0 109.804 179.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 16' ' ' LEU . . . . . 0.544 ' HB3' HD23 ' D' ' 15' ' ' LEU . 90.3 mt -69.54 -29.0 66.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.282 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 79.0 tt0 -65.25 -20.3 66.36 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.08 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -71.89 -6.42 41.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.042 0.449 . . . . 0.0 110.82 179.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -109.38 -103.36 0.37 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 178.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 40.1 m 52.35 -126.44 2.42 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 178.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.247 0.953 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 48.9 t80 . . . . . 0 N--CA 1.477 0.92 0 CA-C-O 120.241 0.067 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' D' D ' 2' ' ' VAL . . . . . 0.417 HG23 ' H ' ' D' ' 3' ' ' ASN . 21.6 m 40.83 -125.41 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 123.975 0.91 . . . . 0.0 112.73 -179.297 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 3' ' ' ASN . . . . . 0.772 ' HB3' HD13 ' G' ' 10' ' ' ILE . 21.9 t-20 -164.99 164.34 20.6 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 120.45 0.167 . . . . 0.0 110.573 -178.682 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 4' ' ' GLN . . . . . 0.51 ' HG3' HG11 ' C' ' 3' ' ' VAL . 20.6 tt0 -51.21 -29.89 15.52 Favored 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 123.246 0.618 . . . . 0.0 110.8 178.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 5' ' ' HIS . . . . . . . . . . . . . 70.4 t60 -53.66 -20.73 5.7 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.444 179.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 6' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' D' ' 6' ' ' LEU . 23.0 mt -114.68 -39.93 3.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.765 178.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 7' ' ' CYS . . . . . . . . . . . . . 43.2 t -66.7 -43.82 83.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.408 -179.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.83 -35.76 92.43 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 121.073 -0.584 . . . . 0.0 112.941 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 9' ' ' SER . . . . . 0.514 ' O ' HG22 ' D' ' 12' ' ' VAL . 1.7 m -60.78 -33.69 73.36 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.782 0.325 . . . . 0.0 111.833 -179.594 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 10' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -88.33 -7.28 56.95 Favored 'General case' 0 CA--C 1.511 -0.526 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 -178.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 11' ' ' LEU . . . . . 0.451 HD11 ' HB2' ' C' ' 7' ' ' CYS . 48.5 mt -73.16 -18.03 61.31 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 178.009 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 12' ' ' VAL . . . . . 0.898 HG21 HG21 ' B' ' 12' ' ' VAL . 4.8 m -71.06 -34.81 56.53 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.402 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.539 179.216 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -56.2 -42.59 77.41 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-O 121.879 0.847 . . . . 0.0 108.852 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.66 -50.75 40.99 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.356 -1.293 . . . . 0.0 110.748 178.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 15' ' ' LEU . . . . . 0.544 HD23 ' HB3' ' C' ' 16' ' ' LEU . 91.7 mt -57.45 -57.04 14.41 Favored 'General case' 0 C--O 1.225 -0.21 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.352 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 16' ' ' TYR . . . . . 0.459 ' HB2' ' O ' ' D' ' 12' ' ' VAL . 1.0 OUTLIER -46.78 -44.4 19.08 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 123.807 0.843 . . . . 0.0 111.656 -179.507 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -62.59 -46.25 89.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.231 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 58.8 t -70.26 -39.7 77.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 19' ' ' CYS . . . . . 0.457 ' HB3' ' HB2' ' D' ' 22' ' ' ARG . 70.1 m -63.04 -27.82 69.67 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.223 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.93 -110.38 3.03 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.72 -0.752 . . . . 0.0 111.86 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -93.38 -5.01 50.43 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.586 0.231 . . . . 0.0 111.117 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 22' ' ' ARG . . . . . 0.457 ' HB2' ' HB3' ' D' ' 19' ' ' CYS . 78.9 mtt180 -81.15 167.01 20.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.029 0.442 . . . . 0.0 110.351 179.021 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 23' ' ' GLY . . . . . 0.472 ' HA3' ' HD2' ' B' ' 28' ' ' PRO . . . -103.04 -152.54 23.76 Favored Glycine 0 N--CA 1.44 -1.08 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 176.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 24' ' ' PHE . . . . . 0.792 ' CZ ' ' HB ' ' D' ' 12' ' ' VAL . 2.8 p90 -166.5 141.26 4.31 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.602 0.715 . . . . 0.0 111.656 178.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 25' ' ' PHE . . . . . 0.672 ' HA ' ' HA ' ' B' ' 25' ' ' PHE . 3.0 p90 -99.13 90.55 4.63 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 107.818 -1.178 . . . . 0.0 107.818 177.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 26' ' ' TYR . . . . . 0.444 ' OH ' HD12 ' D' ' 11' ' ' LEU . 8.0 t80 -82.51 92.32 7.06 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.608 -178.097 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 27' ' ' THR . . . . . . . . . . . . . 17.3 p -110.71 94.47 19.84 Favored Pre-proline 0 C--N 1.319 -0.749 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.796 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 28' ' ' PRO . . . . . 0.477 ' HD2' ' HA3' ' B' ' 23' ' ' GLY . 82.7 Cg_endo -78.16 53.71 4.61 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.843 2.362 . . . . 0.0 112.154 -179.305 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 43.7 tttm -155.35 141.04 18.01 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.573 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 8.1 m . . . . . 0 C--O 1.254 1.307 0 CA-C-O 118.227 -0.892 . . . . 0.0 109.258 179.12 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.594 0 N-CA-C 111.642 -0.583 . . . . 0.0 111.642 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' E' E ' 2' ' ' ILE . . . . . . . . . . . . . 10.9 tt -59.17 -38.18 72.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -178.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 3' ' ' VAL . . . . . 0.52 HG11 ' HG3' ' F' ' 4' ' ' GLN . 48.1 t -66.41 -46.9 85.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.067 0.46 . . . . 0.0 110.821 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 4' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -66.17 -13.66 60.57 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.652 -0.703 . . . . 0.0 112.116 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 5' ' ' GLN . . . . . 0.552 ' HG2' ' SG ' ' E' ' 11' ' ' CYS . 35.5 tt0 -106.84 -36.98 6.51 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -178.164 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 6' ' ' CYS . . . . . . . . . . . . . 84.8 m -98.88 -31.48 11.82 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 113.47 0.915 . . . . 0.0 113.47 -177.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 7' ' ' CYS . . . . . 0.454 ' HB2' HD11 ' F' ' 11' ' ' LEU . 42.0 t -79.23 -16.13 56.98 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.114 0.483 . . . . 0.0 110.523 -179.598 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.31 -59.17 2.91 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.582 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 9' ' ' SER . . . . . 0.423 ' O ' ' HB ' ' E' ' 10' ' ' ILE . 58.1 m -149.43 30.87 0.75 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -179.51 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 10' ' ' ILE . . . . . 0.784 HD13 ' HB3' ' J' ' 3' ' ' ASN . 1.7 mp 70.82 141.7 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 CA-C-O 121.478 0.656 . . . . 0.0 112.725 178.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 11' ' ' CYS . . . . . 0.552 ' SG ' ' HG2' ' E' ' 5' ' ' GLN . 98.0 m -103.49 161.61 13.73 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.225 178.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 12' ' ' SER . . . . . . . . . . . . . 8.0 m -69.3 159.82 32.39 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.225 179.022 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 7.0 tt -60.72 -55.82 28.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.611 0.243 . . . . 0.0 110.768 -179.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 12.6 p90 -65.02 -19.55 66.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.858 0.361 . . . . 0.0 111.04 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -71.0 -38.4 72.68 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.905 179.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 16' ' ' LEU . . . . . 0.533 ' HB3' HD23 ' F' ' 15' ' ' LEU . 92.6 mt -68.51 -28.54 67.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.249 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 17' ' ' GLU . . . . . . . . . . . . . 75.1 tt0 -65.99 -18.26 65.22 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.049 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 18' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -74.25 -4.19 34.57 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.229 0.538 . . . . 0.0 110.627 179.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 19' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -111.43 -103.57 0.39 Allowed 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 178.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 20' ' ' CYS . . . . . 0.458 ' HB3' ' H ' ' E' ' 21' ' ' ASN . 37.1 m 52.4 -126.29 2.41 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 178.65 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 21' ' ' ASN . . . . . 0.458 ' H ' ' HB3' ' E' ' 20' ' ' CYS . 0.7 OUTLIER . . . . . 0 C--O 1.247 0.948 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 -179.643 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 1' ' ' PHE . . . . . . . . . . . . . 50.0 t80 . . . . . 0 N--CA 1.482 1.149 0 CA-C-O 120.547 0.213 . . . . 0.0 110.591 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' F' F ' 2' ' ' VAL . . . . . 0.409 HG23 ' H ' ' F' ' 3' ' ' ASN . 21.7 m 39.8 -125.63 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 C-N-CA 123.919 0.888 . . . . 0.0 112.9 -179.496 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 3' ' ' ASN . . . . . 0.825 ' HB3' HD13 ' A' ' 10' ' ' ILE . 20.2 t-20 -164.52 164.13 21.85 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 120.5 0.19 . . . . 0.0 110.636 -178.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 4' ' ' GLN . . . . . 0.52 ' HG3' HG11 ' E' ' 3' ' ' VAL . 18.0 tt0 -51.42 -29.12 14.88 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 123.286 0.634 . . . . 0.0 110.883 178.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 5' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -54.88 -19.96 7.75 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.3 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 6' ' ' LEU . . . . . 0.412 ' HA ' HD23 ' F' ' 6' ' ' LEU . 22.4 mt -114.79 -39.9 3.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.877 0.37 . . . . 0.0 110.799 178.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 7' ' ' CYS . . . . . . . . . . . . . 42.4 t -67.16 -43.51 82.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.369 -179.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.74 -35.85 92.5 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.921 -0.657 . . . . 0.0 113.036 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 9' ' ' SER . . . . . 0.53 ' O ' HG22 ' F' ' 12' ' ' VAL . 1.5 m -60.79 -33.63 73.27 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.898 0.38 . . . . 0.0 111.734 -179.548 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 10' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -88.28 -7.12 57.26 Favored 'General case' 0 CA--C 1.512 -0.517 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 -178.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 11' ' ' LEU . . . . . 0.454 HD11 ' HB2' ' E' ' 7' ' ' CYS . 45.0 mt -73.59 -17.57 61.16 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 177.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 12' ' ' VAL . . . . . 0.877 HG21 HG21 ' H' ' 12' ' ' VAL . 5.0 m -71.48 -34.89 54.71 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.438 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.631 179.222 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 13' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -56.05 -42.59 76.83 Favored 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.78 -50.4 43.55 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.505 -1.225 . . . . 0.0 110.864 178.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 15' ' ' LEU . . . . . 0.533 HD23 ' HB3' ' E' ' 16' ' ' LEU . 90.9 mt -57.98 -57.05 14.53 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.194 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 16' ' ' TYR . . . . . 0.465 ' HB2' ' O ' ' F' ' 12' ' ' VAL . 1.0 OUTLIER -46.59 -44.52 18.18 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 123.789 0.835 . . . . 0.0 111.633 -179.562 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -62.78 -45.86 90.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.255 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 62.4 t -70.71 -38.13 71.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.019 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 19' ' ' CYS . . . . . 0.447 ' HB3' ' HB2' ' F' ' 22' ' ' ARG . 79.6 m -64.8 -27.81 69.14 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.149 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.94 -110.17 2.96 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.002 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 21' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -94.82 -2.73 50.26 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.788 0.328 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 22' ' ' ARG . . . . . 0.447 ' HB2' ' HB3' ' F' ' 19' ' ' CYS . 76.9 mtt180 -83.08 167.58 17.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.228 -0.442 . . . . 0.0 109.931 179.027 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 23' ' ' GLY . . . . . 0.463 ' HA3' ' HD2' ' H' ' 28' ' ' PRO . . . -104.13 -152.94 22.79 Favored Glycine 0 N--CA 1.442 -0.902 0 N-CA-C 109.602 -1.399 . . . . 0.0 109.602 177.062 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 24' ' ' PHE . . . . . 0.781 ' CZ ' ' HB ' ' F' ' 12' ' ' VAL . 2.8 p90 -166.07 141.13 4.65 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.625 0.726 . . . . 0.0 111.713 178.761 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 25' ' ' PHE . . . . . 0.671 ' HA ' ' HA ' ' H' ' 25' ' ' PHE . 2.8 p90 -99.2 90.41 4.57 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 107.702 -1.221 . . . . 0.0 107.702 177.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 26' ' ' TYR . . . . . 0.418 ' HD1' ' HD3' ' F' ' 28' ' ' PRO . 7.9 t80 -82.51 92.75 7.13 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.454 -178.217 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 27' ' ' THR . . . . . . . . . . . . . 18.0 p -111.41 94.46 22.57 Favored Pre-proline 0 C--N 1.319 -0.733 0 CA-C-N 115.177 -0.92 . . . . 0.0 109.56 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 28' ' ' PRO . . . . . 0.486 ' HD2' ' HA3' ' H' ' 23' ' ' GLY . 75.5 Cg_endo -77.83 50.8 3.38 Favored 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 122.928 2.418 . . . . 0.0 112.398 -179.018 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 29' ' ' LYS . . . . . . . . . . . . . 42.8 tttm -153.25 139.0 17.93 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.066 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 30' ' ' THR . . . . . . . . . . . . . 10.2 m . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.199 -0.905 . . . . 0.0 109.432 179.234 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' G' G ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.733 0 N-CA-C 111.737 -0.545 . . . . 0.0 111.737 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' G' G ' 2' ' ' ILE . . . . . . . . . . . . . 10.8 tt -61.36 -37.86 78.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 111.865 0.321 . . . . 0.0 111.865 -178.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 3' ' ' VAL . . . . . 0.489 HG11 ' HG3' ' H' ' 4' ' ' GLN . 47.1 t -66.67 -47.52 82.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.983 0.421 . . . . 0.0 110.535 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' G' G ' 4' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -65.68 -13.43 59.21 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.707 -0.678 . . . . 0.0 112.043 -179.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 5' ' ' GLN . . . . . 0.553 ' HG2' ' SG ' ' G' ' 11' ' ' CYS . 35.3 tt0 -106.51 -37.65 6.41 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -178.275 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' G' G ' 6' ' ' CYS . . . . . . . . . . . . . 86.1 m -98.64 -31.4 11.95 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 113.512 0.931 . . . . 0.0 113.512 -177.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 7' ' ' CYS . . . . . 0.459 ' HB2' HD11 ' H' ' 11' ' ' LEU . 41.5 t -78.82 -16.47 57.07 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.512 -179.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' G' G ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.55 -60.23 2.38 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.631 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' G' G ' 9' ' ' SER . . . . . 0.445 ' O ' ' HB ' ' G' ' 10' ' ' ILE . 66.9 m -148.55 30.43 0.83 Allowed 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -179.51 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' G' G ' 10' ' ' ILE . . . . . 0.772 HD13 ' HB3' ' D' ' 3' ' ' ASN . 1.7 mp 71.51 141.9 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 CA-C-O 121.644 0.735 . . . . 0.0 112.908 178.706 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' G' G ' 11' ' ' CYS . . . . . 0.553 ' SG ' ' HG2' ' G' ' 5' ' ' GLN . 98.8 m -103.69 161.97 13.47 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.137 179.151 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' G' G ' 12' ' ' SER . . . . . . . . . . . . . 8.4 m -69.3 160.5 31.12 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.071 179.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 13' ' ' LEU . . . . . . . . . . . . . 7.0 tt -61.12 -56.26 22.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.729 0.3 . . . . 0.0 110.571 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 11.0 p90 -64.42 -19.48 65.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.89 0.376 . . . . 0.0 111.181 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -71.72 -36.64 70.57 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.106 0.479 . . . . 0.0 110.026 179.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 16' ' ' LEU . . . . . 0.535 ' HB3' HD23 ' H' ' 15' ' ' LEU . 91.3 mt -70.08 -28.38 65.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.075 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' G' G ' 17' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -66.12 -18.43 65.34 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 120.994 0.426 . . . . 0.0 111.136 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 18' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -73.58 -5.05 37.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.123 0.487 . . . . 0.0 110.672 179.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 19' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -110.62 -103.53 0.39 Allowed 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 178.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 20' ' ' CYS . . . . . 0.425 ' HB3' ' H ' ' G' ' 21' ' ' ASN . 36.3 m 52.33 -126.67 2.43 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 178.466 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' G' G ' 21' ' ' ASN . . . . . 0.425 ' H ' ' HB3' ' G' ' 20' ' ' CYS . 0.6 OUTLIER . . . . . 0 C--O 1.242 0.685 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 -179.481 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' H' H ' 1' ' ' PHE . . . . . . . . . . . . . 50.3 t80 . . . . . 0 N--CA 1.481 1.12 0 CA-C-O 120.179 0.037 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' H' H ' 2' ' ' VAL . . . . . . . . . . . . . 21.8 m 40.43 -125.62 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 123.978 0.911 . . . . 0.0 112.904 -179.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 3' ' ' ASN . . . . . 0.788 ' HB3' HD13 ' K' ' 10' ' ' ILE . 19.6 t-20 -164.77 164.21 21.18 Favored 'General case' 0 C--O 1.236 0.35 0 O-C-N 122.414 -0.178 . . . . 0.0 110.651 -178.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' H' H ' 4' ' ' GLN . . . . . 0.489 ' HG3' HG11 ' G' ' 3' ' ' VAL . 20.9 tt0 -51.29 -29.69 15.64 Favored 'General case' 0 N--CA 1.462 0.139 0 C-N-CA 123.283 0.633 . . . . 0.0 110.89 178.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' H' H ' 5' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -54.05 -20.31 6.23 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.575 179.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 6' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' H' ' 6' ' ' LEU . 22.7 mt -114.63 -40.4 3.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.556 178.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' H' H ' 7' ' ' CYS . . . . . . . . . . . . . 46.6 t -66.15 -44.35 84.39 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.741 0.305 . . . . 0.0 111.417 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.27 -35.84 92.18 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 121.048 -0.596 . . . . 0.0 113.046 -179.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 9' ' ' SER . . . . . 0.512 ' O ' HG22 ' H' ' 12' ' ' VAL . 1.6 m -60.97 -33.48 73.28 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.797 0.332 . . . . 0.0 111.774 -179.619 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' H' H ' 10' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -88.76 -7.02 57.0 Favored 'General case' 0 CA--C 1.511 -0.549 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -178.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 11' ' ' LEU . . . . . 0.459 HD11 ' HB2' ' G' ' 7' ' ' CYS . 46.5 mt -73.06 -17.97 61.37 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 177.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' H' H ' 12' ' ' VAL . . . . . 0.877 HG21 HG21 ' F' ' 12' ' ' VAL . 5.0 m -71.25 -34.82 55.64 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.398 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.7 179.299 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' H' H ' 13' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -56.2 -42.3 76.95 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-O 121.943 0.878 . . . . 0.0 108.868 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.13 -50.59 39.06 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 114.408 -1.269 . . . . 0.0 110.896 178.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 15' ' ' LEU . . . . . 0.535 HD23 ' HB3' ' G' ' 16' ' ' LEU . 89.4 mt -57.47 -56.81 17.02 Favored 'General case' 0 C--O 1.225 -0.186 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.24 179.766 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' H' H ' 16' ' ' TYR . . . . . 0.475 ' HB2' ' O ' ' H' ' 12' ' ' VAL . 1.0 OUTLIER -47.24 -43.77 22.17 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 123.768 0.827 . . . . 0.0 111.745 -179.372 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -63.4 -45.65 90.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.228 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 58.2 t -70.57 -38.68 74.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.136 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 19' ' ' CYS . . . . . 0.464 ' HB3' ' HB2' ' H' ' 22' ' ' ARG . 69.0 m -64.7 -26.01 68.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.241 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' H' H ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.0 -108.45 2.53 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.521 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 21' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -95.78 -4.57 43.68 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.728 0.299 . . . . 0.0 110.869 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 22' ' ' ARG . . . . . 0.464 ' HB2' ' HB3' ' H' ' 19' ' ' CYS . 78.5 mtt180 -81.5 167.57 19.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.163 179.16 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' H' H ' 23' ' ' GLY . . . . . 0.486 ' HA3' ' HD2' ' F' ' 28' ' ' PRO . . . -104.44 -153.28 22.59 Favored Glycine 0 N--CA 1.442 -0.963 0 N-CA-C 109.649 -1.381 . . . . 0.0 109.649 177.315 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' H' H ' 24' ' ' PHE . . . . . 0.78 ' CZ ' ' HB ' ' H' ' 12' ' ' VAL . 2.9 p90 -165.78 141.34 4.98 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 121.692 0.758 . . . . 0.0 111.624 178.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' H' H ' 25' ' ' PHE . . . . . 0.671 ' HA ' ' HA ' ' F' ' 25' ' ' PHE . 2.3 p90 -99.36 90.46 4.55 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 178.063 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' H' H ' 26' ' ' TYR . . . . . 0.437 ' OH ' HD12 ' H' ' 11' ' ' LEU . 8.1 t80 -82.38 92.54 7.02 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.517 -178.05 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' H' H ' 27' ' ' THR . . . . . . . . . . . . . 19.0 p -110.9 95.1 22.48 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.615 179.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 28' ' ' PRO . . . . . 0.463 ' HD2' ' HA3' ' F' ' 23' ' ' GLY . 76.6 Cg_endo -78.41 52.18 4.03 Favored 'Trans proline' 0 N--CA 1.464 -0.216 0 C-N-CA 122.795 2.33 . . . . 0.0 112.285 -179.351 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' H' H ' 29' ' ' LYS . . . . . . . . . . . . . 44.5 tttm -153.47 143.52 22.15 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.282 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 30' ' ' THR . . . . . . . . . . . . . 6.4 m . . . . . 0 C--O 1.253 1.247 0 CA-C-O 118.114 -0.946 . . . . 0.0 108.891 178.93 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' I' I ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.998 0 N-CA-C 111.803 -0.519 . . . . 0.0 111.803 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' I' I ' 2' ' ' ILE . . . . . . . . . . . . . 10.9 tt -61.49 -38.24 79.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.886 0.374 . . . . 0.0 111.935 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 3' ' ' VAL . . . . . 0.488 HG11 ' HG3' ' J' ' 4' ' ' GLN . 46.3 t -66.42 -48.1 81.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.05 0.452 . . . . 0.0 110.468 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' I' I ' 4' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -65.62 -12.76 56.13 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.916 -0.583 . . . . 0.0 112.237 -179.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 5' ' ' GLN . . . . . 0.544 ' HG2' ' SG ' ' I' ' 11' ' ' CYS . 35.0 tt0 -107.03 -37.35 6.34 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -178.273 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' I' I ' 6' ' ' CYS . . . . . . . . . . . . . 81.5 m -98.36 -32.63 11.42 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 -177.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 7' ' ' CYS . . . . . 0.431 ' HB2' HD11 ' J' ' 11' ' ' LEU . 43.2 t -77.9 -17.32 57.43 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.944 0.402 . . . . 0.0 110.618 -179.624 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' I' I ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.48 -58.67 3.46 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.782 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' I' I ' 9' ' ' SER . . . . . 0.433 ' O ' ' HB ' ' I' ' 10' ' ' ILE . 49.5 m -149.98 30.55 0.71 Allowed 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -179.378 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' I' I ' 10' ' ' ILE . . . . . 0.824 HD13 ' HB3' ' B' ' 3' ' ' ASN . 1.7 mp 70.75 141.16 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 CA-C-O 121.631 0.729 . . . . 0.0 112.888 178.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' I' I ' 11' ' ' CYS . . . . . 0.544 ' SG ' ' HG2' ' I' ' 5' ' ' GLN . 98.2 m -102.89 161.2 13.94 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.466 179.064 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' I' I ' 12' ' ' SER . . . . . . . . . . . . . 6.5 m -68.55 159.46 31.83 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.252 178.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 13' ' ' LEU . . . . . . . . . . . . . 7.1 tt -60.45 -55.97 27.08 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.841 0.353 . . . . 0.0 110.699 -179.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 12.2 p90 -64.89 -19.95 66.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.912 0.387 . . . . 0.0 110.935 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -70.87 -37.38 73.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.998 179.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 16' ' ' LEU . . . . . 0.53 ' HB3' HD23 ' J' ' 15' ' ' LEU . 91.9 mt -69.78 -28.01 65.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.183 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' I' I ' 17' ' ' GLU . . . . . . . . . . . . . 75.0 tt0 -66.59 -17.58 64.9 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.027 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 18' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -74.5 -5.01 40.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.129 0.49 . . . . 0.0 110.501 179.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 19' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -111.03 -103.62 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 178.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 20' ' ' CYS . . . . . . . . . . . . . 40.1 m 52.75 -126.35 2.43 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 178.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.246 0.917 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 -179.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' J' J ' 1' ' ' PHE . . . . . . . . . . . . . 50.0 t80 . . . . . 0 N--CA 1.48 1.044 0 CA-C-O 120.27 0.081 . . . . 0.0 111.071 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' J' J ' 2' ' ' VAL . . . . . 0.403 HG23 ' H ' ' J' ' 3' ' ' ASN . 19.7 m 40.21 -125.72 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 123.969 0.908 . . . . 0.0 112.552 -179.399 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' J' J ' 3' ' ' ASN . . . . . 0.784 ' HB3' HD13 ' E' ' 10' ' ' ILE . 19.5 t-20 -164.53 164.1 21.83 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 110.53 -0.174 . . . . 0.0 110.53 -178.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' J' J ' 4' ' ' GLN . . . . . 0.488 ' HG3' HG11 ' I' ' 3' ' ' VAL . 20.5 tt0 -50.47 -30.35 12.49 Favored 'General case' 0 N--CA 1.463 0.201 0 C-N-CA 123.464 0.706 . . . . 0.0 110.824 178.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' J' J ' 5' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -53.75 -20.55 5.73 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.424 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' J' J ' 6' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' J' ' 6' ' ' LEU . 22.9 mt -114.44 -40.52 3.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.684 178.725 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' J' J ' 7' ' ' CYS . . . . . . . . . . . . . 42.5 t -66.15 -43.77 86.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.614 -0.267 . . . . 0.0 111.571 -179.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' J' J ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.92 -35.53 92.16 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.978 -0.63 . . . . 0.0 112.946 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' J' J ' 9' ' ' SER . . . . . 0.515 ' O ' HG22 ' J' ' 12' ' ' VAL . 1.7 m -61.03 -33.93 74.05 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.768 0.318 . . . . 0.0 111.676 -179.462 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' J' J ' 10' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -88.14 -7.06 57.48 Favored 'General case' 0 CA--C 1.511 -0.556 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -178.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' J' J ' 11' ' ' LEU . . . . . 0.442 HD12 ' OH ' ' J' ' 26' ' ' TYR . 46.2 mt -72.93 -18.16 61.42 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 177.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' J' J ' 12' ' ' VAL . . . . . 0.876 HG21 HG21 ' L' ' 12' ' ' VAL . 4.9 m -70.99 -35.34 58.94 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.492 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.794 179.145 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' J' J ' 13' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -55.68 -42.47 75.18 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' J' J ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.96 -50.73 38.91 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.403 -1.271 . . . . 0.0 110.958 178.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' J' J ' 15' ' ' LEU . . . . . 0.53 HD23 ' HB3' ' I' ' 16' ' ' LEU . 91.1 mt -57.55 -56.54 20.6 Favored 'General case' 0 C--O 1.224 -0.27 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.267 179.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' J' J ' 16' ' ' TYR . . . . . 0.458 ' HB2' ' O ' ' J' ' 12' ' ' VAL . 1.1 t80 -47.1 -44.22 21.1 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 123.738 0.815 . . . . 0.0 111.729 -179.444 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -63.52 -44.89 92.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.249 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 57.8 t -71.68 -37.19 62.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.873 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' J' J ' 19' ' ' CYS . . . . . 0.452 ' HB3' ' HB2' ' J' ' 22' ' ' ARG . 76.4 m -66.09 -25.86 67.21 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.281 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' J' J ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.87 -108.99 2.66 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 121.002 -0.618 . . . . 0.0 112.374 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' J' J ' 21' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -95.42 -3.61 46.68 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.849 0.357 . . . . 0.0 110.894 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' J' J ' 22' ' ' ARG . . . . . 0.452 ' HB2' ' HB3' ' J' ' 19' ' ' CYS . 77.8 mtt180 -82.16 167.78 18.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.129 0.49 . . . . 0.0 109.976 179.06 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' J' J ' 23' ' ' GLY . . . . . 0.46 ' HA3' ' HD2' ' L' ' 28' ' ' PRO . . . -104.07 -153.05 22.92 Favored Glycine 0 N--CA 1.44 -1.056 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 177.015 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' J' J ' 24' ' ' PHE . . . . . 0.771 ' CZ ' ' HB ' ' J' ' 12' ' ' VAL . 2.9 p90 -166.15 141.04 4.56 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.593 0.711 . . . . 0.0 111.503 178.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' J' J ' 25' ' ' PHE . . . . . 0.658 ' HA ' ' HA ' ' L' ' 25' ' ' PHE . 2.8 p90 -99.14 90.21 4.51 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 178.128 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' J' J ' 26' ' ' TYR . . . . . 0.442 ' OH ' HD12 ' J' ' 11' ' ' LEU . 8.0 t80 -82.34 92.6 7.01 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.564 -178.107 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' J' J ' 27' ' ' THR . . . . . . . . . . . . . 16.7 p -110.9 93.99 18.95 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.744 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' J' J ' 28' ' ' PRO . . . . . 0.498 ' HD2' ' HA3' ' L' ' 23' ' ' GLY . 82.4 Cg_endo -77.76 52.71 4.08 Favored 'Trans proline' 0 C--O 1.235 0.365 0 C-N-CA 122.758 2.306 . . . . 0.0 112.296 -179.37 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' J' J ' 29' ' ' LYS . . . . . . . . . . . . . 43.9 tttm -154.09 142.58 20.7 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.509 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' J' J ' 30' ' ' THR . . . . . . . . . . . . . 14.2 m . . . . . 0 C--O 1.253 1.27 0 CA-C-O 118.126 -0.94 . . . . 0.0 109.358 179.33 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.582 0 N-CA-C 112.615 -0.194 . . . . 0.0 112.615 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' K' K ' 2' ' ' ILE . . . . . . . . . . . . . 11.0 tt -60.69 -38.54 78.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.729 0.299 . . . . 0.0 111.607 -178.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' K' K ' 3' ' ' VAL . . . . . 0.502 HG11 ' HG3' ' L' ' 4' ' ' GLN . 46.3 t -66.06 -47.71 84.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.02 0.438 . . . . 0.0 110.836 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' K' K ' 4' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -65.93 -13.35 59.58 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.758 -0.655 . . . . 0.0 112.1 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' K' K ' 5' ' ' GLN . . . . . 0.548 ' HG2' ' SG ' ' K' ' 11' ' ' CYS . 34.3 tt0 -106.33 -37.95 6.38 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -178.412 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' K' K ' 6' ' ' CYS . . . . . . . . . . . . . 83.5 m -97.71 -33.24 11.37 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 113.42 0.896 . . . . 0.0 113.42 -177.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' K' K ' 7' ' ' CYS . . . . . 0.433 ' HB2' HD11 ' L' ' 11' ' ' LEU . 43.2 t -77.09 -18.01 58.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 121.984 -0.447 . . . . 0.0 110.614 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' K' K ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -69.32 -58.89 3.43 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' K' K ' 9' ' ' SER . . . . . 0.419 ' O ' ' HB ' ' K' ' 10' ' ' ILE . 50.1 m -150.32 31.74 0.66 Allowed 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -179.364 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' K' K ' 10' ' ' ILE . . . . . 0.788 HD13 ' HB3' ' H' ' 3' ' ' ASN . 1.7 mp 70.51 143.17 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 CA-C-O 121.582 0.706 . . . . 0.0 112.821 178.579 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' K' K ' 11' ' ' CYS . . . . . 0.548 ' SG ' ' HG2' ' K' ' 5' ' ' GLN . 95.9 m -104.82 162.41 13.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.917 179.269 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' K' K ' 12' ' ' SER . . . . . . . . . . . . . 6.5 m -70.35 159.26 34.46 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.234 179.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' K' K ' 13' ' ' LEU . . . . . . . . . . . . . 7.0 tt -60.01 -55.13 37.74 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.676 0.274 . . . . 0.0 110.867 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 11.3 p90 -65.88 -19.02 65.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.97 0.415 . . . . 0.0 111.153 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -71.74 -36.55 70.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.164 0.506 . . . . 0.0 109.91 179.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' K' K ' 16' ' ' LEU . . . . . 0.51 ' HB3' HD23 ' L' ' 15' ' ' LEU . 92.7 mt -70.18 -28.36 65.26 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.119 179.753 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' K' K ' 17' ' ' GLU . . . . . . . . . . . . . 76.4 tt0 -66.15 -18.38 65.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.173 -179.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' K' K ' 18' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -73.95 -5.89 43.99 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.15 0.5 . . . . 0.0 110.71 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' K' K ' 19' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -109.72 -102.73 0.38 Allowed 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 178.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' K' K ' 20' ' ' CYS . . . . . 0.447 ' HB3' ' H ' ' K' ' 21' ' ' ASN . 36.3 m 51.9 -126.35 2.39 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 178.571 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' K' K ' 21' ' ' ASN . . . . . 0.447 ' H ' ' HB3' ' K' ' 20' ' ' CYS . 0.7 OUTLIER . . . . . 0 C--O 1.246 0.893 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 -179.391 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' L' L ' 1' ' ' PHE . . . . . . . . . . . . . 50.3 t80 . . . . . 0 N--CA 1.481 1.083 0 N-CA-C 111.254 0.094 . . . . 0.0 111.254 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' L' L ' 2' ' ' VAL . . . . . . . . . . . . . 20.2 m 40.97 -126.29 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 124.089 0.956 . . . . 0.0 112.595 -179.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' L' L ' 3' ' ' ASN . . . . . 0.801 ' HB3' HD13 ' C' ' 10' ' ' ILE . 20.4 t-20 -163.98 164.64 23.09 Favored 'General case' 0 C--O 1.237 0.396 0 O-C-N 122.269 -0.269 . . . . 0.0 110.671 -178.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' L' L ' 4' ' ' GLN . . . . . 0.502 ' HG3' HG11 ' K' ' 3' ' ' VAL . 20.8 tt0 -51.33 -29.71 16.08 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 123.312 0.645 . . . . 0.0 110.955 178.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' L' L ' 5' ' ' HIS . . . . . . . . . . . . . 70.9 t60 -54.3 -20.18 6.68 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.448 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' L' L ' 6' ' ' LEU . . . . . . . . . . . . . 22.9 mt -114.63 -40.39 3.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.618 178.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' L' L ' 7' ' ' CYS . . . . . . . . . . . . . 43.5 t -66.42 -44.14 83.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.594 -179.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' L' L ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.47 -35.67 92.06 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 121.026 -0.607 . . . . 0.0 113.02 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' L' L ' 9' ' ' SER . . . . . 0.516 ' O ' HG22 ' L' ' 12' ' ' VAL . 1.6 m -61.01 -33.24 72.95 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.887 0.375 . . . . 0.0 111.834 -179.577 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' L' L ' 10' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -88.57 -7.59 56.18 Favored 'General case' 0 CA--C 1.51 -0.566 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -178.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' L' L ' 11' ' ' LEU . . . . . 0.433 HD11 ' HB2' ' K' ' 7' ' ' CYS . 45.4 mt -72.85 -17.84 61.5 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 177.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' L' L ' 12' ' ' VAL . . . . . 0.876 HG21 HG21 ' J' ' 12' ' ' VAL . 5.0 m -71.34 -34.94 55.58 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.585 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.637 179.135 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' L' L ' 13' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -55.98 -42.77 76.81 Favored 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' L' L ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.48 -50.72 42.71 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.444 -1.253 . . . . 0.0 110.849 178.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' L' L ' 15' ' ' LEU . . . . . 0.51 HD23 ' HB3' ' K' ' 16' ' ' LEU . 90.4 mt -57.72 -56.65 19.22 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.294 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' L' L ' 16' ' ' TYR . . . . . 0.459 ' HB2' ' O ' ' L' ' 12' ' ' VAL . 1.0 OUTLIER -47.32 -43.16 22.44 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.667 -179.476 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -63.93 -45.65 88.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.249 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 57.6 t -70.7 -38.03 71.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.187 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' L' L ' 19' ' ' CYS . . . . . 0.454 ' HB3' ' HB2' ' L' ' 22' ' ' ARG . 81.3 m -64.83 -27.32 68.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.227 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' L' L ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.37 -108.82 2.64 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.301 179.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' L' L ' 21' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -96.2 -3.22 44.71 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.987 0.422 . . . . 0.0 110.839 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' L' L ' 22' ' ' ARG . . . . . 0.454 ' HB2' ' HB3' ' L' ' 19' ' ' CYS . 78.3 mtt180 -82.32 167.14 18.87 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.088 178.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' L' L ' 23' ' ' GLY . . . . . 0.498 ' HA3' ' HD2' ' J' ' 28' ' ' PRO . . . -103.79 -153.43 23.38 Favored Glycine 0 N--CA 1.441 -0.969 0 N-CA-C 109.718 -1.353 . . . . 0.0 109.718 177.053 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' L' L ' 24' ' ' PHE . . . . . 0.791 ' CZ ' ' HB ' ' L' ' 12' ' ' VAL . 2.9 p90 -165.78 141.52 5.04 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.696 0.76 . . . . 0.0 111.683 178.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' L' L ' 25' ' ' PHE . . . . . 0.658 ' HA ' ' HA ' ' J' ' 25' ' ' PHE . 2.6 p90 -99.36 90.42 4.53 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 177.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' L' L ' 26' ' ' TYR . . . . . 0.431 ' OH ' HD12 ' L' ' 11' ' ' LEU . 8.4 t80 -82.43 92.45 7.03 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.584 -178.124 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' L' L ' 27' ' ' THR . . . . . . . . . . . . . 18.1 p -110.73 94.98 21.41 Favored Pre-proline 0 C--N 1.32 -0.679 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.435 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' L' L ' 28' ' ' PRO . . . . . 0.46 ' HD2' ' HA3' ' J' ' 23' ' ' GLY . 71.7 Cg_endo -77.99 50.14 3.2 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.831 2.354 . . . . 0.0 112.389 -179.167 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' L' L ' 29' ' ' LYS . . . . . . . . . . . . . 45.5 tttm . . . . . 0 C--N 1.322 -0.622 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.64 -179.939 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.521 0 N-CA-C 111.674 -0.57 . . . . 0.0 111.674 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.74 HD11 HD11 ' B' ' 15' ' ' LEU . 7.1 tt -160.66 -45.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 O-C-N 122.609 -0.347 . . . . 0.0 111.105 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.636 HG21 ' HA ' ' B' ' 28' ' ' PRO . 21.1 t -51.91 -49.22 38.28 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.482 -179.103 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.722 ' HB2' HE21 ' B' ' 4' ' ' GLN . 31.3 tt0 -99.06 -45.76 5.82 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 120.549 -0.46 . . . . 0.0 109.97 179.298 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -44.85 -52.18 8.81 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.948 0.721 . . . . 0.0 112.948 -179.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.538 ' O ' ' HA ' ' A' ' 10' ' ' ILE . 81.6 m -81.26 -14.85 56.99 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -178.101 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.0 t -98.03 -22.7 16.12 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 120.253 -0.579 . . . . 0.0 111.326 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.523 HG23 ' H ' ' A' ' 9' ' ' SER . 11.1 t -80.27 -66.84 0.83 Allowed 'General case' 0 CA--C 1.535 0.379 0 O-C-N 121.725 -0.609 . . . . 0.0 111.343 -179.151 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.576 ' O ' ' HB ' ' A' ' 10' ' ' ILE . 29.6 m -105.53 -4.98 20.61 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 117.713 0.233 . . . . 0.0 111.145 -179.545 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.713 HD13 ' HB3' ' F' ' 5' ' ' HIS . 34.6 mt 77.03 138.09 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 CA-C-O 121.505 0.669 . . . . 0.0 112.334 179.153 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 77.5 m -101.08 141.29 34.18 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.038 179.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.1 m -71.55 165.82 23.09 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 178.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.403 HD11 HD11 ' G' ' 13' ' ' LEU . 7.5 tt -54.38 -46.38 73.05 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.685 0.278 . . . . 0.0 110.762 -179.581 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 13.6 m-30 -63.43 -31.95 73.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.776 0.322 . . . . 0.0 111.222 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -71.37 -39.15 71.41 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.141 179.22 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.535 ' HB3' HD23 ' B' ' 15' ' ' LEU . 96.1 mt -64.42 -32.06 73.52 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.265 179.691 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -62.35 -19.44 63.35 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.817 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -74.9 -12.9 60.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.787 0.327 . . . . 0.0 110.941 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -120.05 30.15 7.15 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.468 0.652 . . . . 0.0 110.124 -179.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.7 t -102.91 177.21 4.91 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.321 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.251 1.18 0 CA-C-O 118.437 -0.792 . . . . 0.0 110.18 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . 0.442 ' N ' ' HA ' ' I' ' 8' ' ' THR . 17.3 p90 . . . . . 0 N--CA 1.481 1.107 0 N-CA-C 111.562 0.208 . . . . 0.0 111.562 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 21.6 t -78.23 74.63 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.095 0 CA-C-O 121.657 0.742 . . . . 0.0 109.566 179.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . 0.806 ' HB3' ' HB3' ' B' ' 7' ' ' CYS . 77.1 m-20 -76.46 0.26 20.43 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.683 -178.69 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . 0.722 HE21 ' HB2' ' A' ' 4' ' ' GLU . 81.9 mt-30 -66.52 -36.01 81.66 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.16 0.505 . . . . 0.0 110.415 179.403 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . 0.745 ' HB3' HD13 ' I' ' 10' ' ' ILE . 72.9 t60 -97.87 -7.82 29.52 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.754 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.568 ' HB2' ' HA ' ' B' ' 3' ' ' ASN . 77.0 mt -101.34 -76.42 0.57 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.887 179.405 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . 0.806 ' HB3' ' HB3' ' B' ' 3' ' ' ASN . 0.0 OUTLIER -64.42 -33.58 76.2 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.292 178.764 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . 0.716 ' HA2' ' HG ' ' B' ' 11' ' ' LEU . . . -55.78 -30.99 57.64 Favored Glycine 0 C--N 1.336 0.55 0 C-N-CA 121.167 -0.54 . . . . 0.0 112.269 178.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . 0.534 ' HB3' ' HG3' ' D' ' 13' ' ' GLU . 13.4 m -69.34 -7.18 34.97 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.002 0.43 . . . . 0.0 111.102 179.241 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 -114.22 -8.07 12.96 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.784 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.716 ' HG ' ' HA2' ' B' ' 8' ' ' GLY . 70.2 mt -66.42 -33.86 76.66 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 177.352 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.55 ' O ' ' HB2' ' B' ' 16' ' ' TYR . 2.9 m -67.61 -31.68 53.57 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.413 0 CA-C-N 114.602 -1.181 . . . . 0.0 110.791 178.176 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.546 ' HG3' ' HB3' ' D' ' 9' ' ' SER . 41.2 tt0 -62.49 -39.24 92.84 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 179.556 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.66 -46.61 62.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.937 178.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.74 HD11 HD11 ' A' ' 2' ' ' ILE . 60.0 mt -58.03 -42.01 84.44 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.627 0.727 . . . . 0.0 109.895 178.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . 0.55 ' HB2' ' O ' ' B' ' 12' ' ' VAL . 1.5 t80 -53.73 -45.46 70.51 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.37 -1.286 . . . . 0.0 110.916 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.415 HD13 ' NE2' ' D' ' 5' ' ' HIS . 3.9 mm? -68.43 -45.27 72.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.139 179.635 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 65.6 t -64.0 -45.2 97.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.36 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 81.0 m -73.61 -19.35 60.89 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.115 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.09 -107.92 2.25 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.819 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -112.15 13.08 20.54 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.993 0.425 . . . . 0.0 111.116 -179.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 65.9 mtp180 -77.08 -73.43 0.29 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.321 0.581 . . . . 0.0 109.848 178.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . 0.489 ' CA ' ' HD2' ' D' ' 28' ' ' PRO . . . 138.56 -176.77 20.62 Favored Glycine 0 N--CA 1.446 -0.655 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.583 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . 0.454 ' CZ ' ' HB ' ' B' ' 12' ' ' VAL . 2.3 p90 -160.68 171.14 19.42 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.014 0.435 . . . . 0.0 110.647 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -129.43 135.83 49.16 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 178.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.456 ' OH ' ' HA ' ' A' ' 3' ' ' VAL . 3.2 t80 -140.15 107.36 5.49 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.186 -0.606 . . . . 0.0 111.458 -178.078 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . 0.617 ' HB ' ' HG2' ' B' ' 29' ' ' LYS . 15.5 p -127.53 101.42 24.31 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.307 179.406 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . 0.636 ' HA ' HG21 ' A' ' 3' ' ' VAL . 47.0 Cg_endo -70.46 -2.73 11.15 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.836 2.357 . . . . 0.0 112.529 -179.553 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.617 ' HG2' ' HB ' ' B' ' 27' ' ' THR . 0.0 OUTLIER -67.29 167.86 11.59 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 121.297 0.57 . . . . 0.0 111.078 179.535 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 14.4 m . . . . . 0 C--O 1.245 0.821 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 178.668 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.485 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 2' ' ' ILE . . . . . 0.739 HD11 HD11 ' D' ' 15' ' ' LEU . 7.4 tt -163.12 -46.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 117.024 0.412 . . . . 0.0 110.989 -179.722 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 3' ' ' VAL . . . . . 0.664 HG21 ' HA ' ' D' ' 28' ' ' PRO . 18.0 t -50.6 -49.43 25.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.777 -179.664 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 4' ' ' GLU . . . . . 0.718 ' HB2' HE21 ' D' ' 4' ' ' GLN . 33.7 tt0 -99.67 -45.05 5.9 Favored 'General case' 0 N--CA 1.443 -0.784 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.066 179.296 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -45.71 -50.58 13.54 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.098 0.777 . . . . 0.0 113.098 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 6' ' ' CYS . . . . . 0.558 ' O ' ' HA ' ' C' ' 10' ' ' ILE . 83.9 m -82.62 -15.22 52.95 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 -178.043 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 7' ' ' CYS . . . . . . . . . . . . . 46.6 t -97.21 -23.8 16.01 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.27 -0.572 . . . . 0.0 111.421 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 8' ' ' THR . . . . . 0.544 HG23 ' H ' ' C' ' 9' ' ' SER . 11.6 t -79.61 -66.78 0.83 Allowed 'General case' 0 CA--C 1.536 0.418 0 O-C-N 121.79 -0.569 . . . . 0.0 111.651 -179.032 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 9' ' ' SER . . . . . 0.546 ' O ' ' HB ' ' C' ' 10' ' ' ILE . 20.1 m -106.03 -3.42 21.63 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 117.817 0.28 . . . . 0.0 111.137 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . 0.71 HD13 ' HB3' ' L' ' 5' ' ' HIS . 35.2 mt 76.27 140.24 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 CA-C-N 115.691 -0.686 . . . . 0.0 112.179 179.018 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 84.2 m -102.96 141.86 35.05 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.594 179.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 17.2 m -71.69 167.3 20.15 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 178.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 7.6 tt -55.56 -47.43 76.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.615 0.245 . . . . 0.0 110.638 -179.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 13.8 m-30 -62.31 -31.88 72.54 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.432 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -70.85 -40.09 72.56 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.285 178.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 16' ' ' LEU . . . . . 0.529 ' HB3' HD23 ' D' ' 15' ' ' LEU . 95.4 mt -63.57 -32.49 73.97 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.301 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -61.94 -19.8 63.13 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.819 0.342 . . . . 0.0 111.577 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -75.18 -11.39 60.07 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.935 0.398 . . . . 0.0 110.938 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -121.21 29.25 7.39 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.594 0.711 . . . . 0.0 109.915 -179.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 47.7 t -102.13 177.69 4.82 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.305 -179.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.25 1.129 0 CA-C-O 118.315 -0.85 . . . . 0.0 110.283 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 1' ' ' PHE . . . . . 0.45 ' N ' ' HA ' ' G' ' 8' ' ' THR . 18.4 p90 . . . . . 0 N--CA 1.48 1.049 0 N-CA-C 111.493 0.183 . . . . 0.0 111.493 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 2' ' ' VAL . . . . . . . . . . . . . 21.5 t -78.8 75.52 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.138 0 CA-C-O 121.485 0.659 . . . . 0.0 109.406 179.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 3' ' ' ASN . . . . . 0.774 ' HB3' ' HB3' ' D' ' 7' ' ' CYS . 79.1 m-20 -77.59 0.41 23.21 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.633 -178.521 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 4' ' ' GLN . . . . . 0.718 HE21 ' HB2' ' C' ' 4' ' ' GLU . 82.5 mt-30 -66.62 -36.03 81.61 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.318 0.58 . . . . 0.0 110.536 179.401 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 5' ' ' HIS . . . . . 0.729 ' HB3' HD13 ' G' ' 10' ' ' ILE . 72.4 t60 -97.72 -7.5 30.67 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.847 179.727 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 6' ' ' LEU . . . . . 0.577 ' HB2' ' HA ' ' D' ' 3' ' ' ASN . 80.5 mt -101.64 -76.65 0.56 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.34 -0.846 . . . . 0.0 109.868 179.323 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 7' ' ' CYS . . . . . 0.774 ' HB3' ' HB3' ' D' ' 3' ' ' ASN . 0.0 OUTLIER -64.32 -33.34 75.6 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.226 178.729 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 8' ' ' GLY . . . . . 0.732 ' HA2' ' HG ' ' D' ' 11' ' ' LEU . . . -56.1 -30.76 58.14 Favored Glycine 0 C--N 1.335 0.492 0 C-N-CA 121.11 -0.566 . . . . 0.0 112.268 178.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 9' ' ' SER . . . . . 0.546 ' HB3' ' HG3' ' B' ' 13' ' ' GLU . 11.4 m -69.61 -7.36 38.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.949 0.404 . . . . 0.0 111.034 179.254 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 10' ' ' HIS . . . . . . . . . . . . . 85.9 m-70 -113.93 -8.17 13.12 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.717 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 11' ' ' LEU . . . . . 0.732 ' HG ' ' HA2' ' D' ' 8' ' ' GLY . 70.6 mt -66.17 -34.27 77.66 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 177.336 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 12' ' ' VAL . . . . . 0.548 ' O ' ' HB2' ' D' ' 16' ' ' TYR . 3.1 m -67.43 -31.84 54.6 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.423 0 CA-C-N 114.692 -1.14 . . . . 0.0 110.812 178.387 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 13' ' ' GLU . . . . . 0.534 ' HG3' ' HB3' ' B' ' 9' ' ' SER . 41.1 tt0 -62.42 -38.88 91.41 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.366 0.603 . . . . 0.0 109.387 179.642 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.03 -46.16 62.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.08 178.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 15' ' ' LEU . . . . . 0.739 HD11 HD11 ' C' ' 2' ' ' ILE . 66.0 mt -58.42 -41.93 86.1 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 121.497 0.665 . . . . 0.0 109.838 178.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 16' ' ' TYR . . . . . 0.548 ' HB2' ' O ' ' D' ' 12' ' ' VAL . 1.5 t80 -53.88 -45.44 71.06 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.538 -1.21 . . . . 0.0 110.896 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . 0.431 HD13 ' NE2' ' B' ' 5' ' ' HIS . 3.9 mm? -68.64 -45.29 72.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.926 179.614 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 71.6 t -63.96 -45.27 97.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.133 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 19' ' ' CYS . . . . . . . . . . . . . 85.0 m -73.44 -19.5 60.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.291 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.61 -110.04 3.24 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.998 -0.62 . . . . 0.0 112.549 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -108.93 10.9 26.27 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.816 0.341 . . . . 0.0 111.339 -179.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 22' ' ' ARG . . . . . . . . . . . . . 66.9 mtp180 -74.77 -73.11 0.25 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.233 0.539 . . . . 0.0 110.296 179.388 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 23' ' ' GLY . . . . . 0.508 ' CA ' ' HD2' ' B' ' 28' ' ' PRO . . . 138.23 -176.58 20.66 Favored Glycine 0 N--CA 1.446 -0.663 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.578 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 24' ' ' PHE . . . . . 0.46 ' CZ ' ' HB ' ' D' ' 12' ' ' VAL . 2.3 p90 -161.07 170.99 19.38 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.127 0.489 . . . . 0.0 110.817 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 25' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -129.15 136.73 50.57 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 177.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 26' ' ' TYR . . . . . 0.469 ' OH ' ' HA ' ' C' ' 3' ' ' VAL . 3.2 t80 -141.16 106.57 5.04 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.147 -0.621 . . . . 0.0 111.279 -178.132 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 27' ' ' THR . . . . . 0.624 ' HB ' ' HG2' ' D' ' 29' ' ' LYS . 12.1 p -127.34 101.56 24.75 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.024 179.324 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 28' ' ' PRO . . . . . 0.664 ' HA ' HG21 ' C' ' 3' ' ' VAL . 44.9 Cg_endo -70.22 -2.94 11.33 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 123.059 2.506 . . . . 0.0 112.596 -179.515 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 29' ' ' LYS . . . . . 0.624 ' HG2' ' HB ' ' D' ' 27' ' ' THR . 0.0 OUTLIER -67.03 168.44 10.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.093 179.73 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 15.1 m . . . . . 0 C--O 1.245 0.854 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 178.799 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.631 0 N-CA-C 111.871 -0.492 . . . . 0.0 111.871 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' E' E ' 2' ' ' ILE . . . . . 0.735 HD11 HD11 ' F' ' 15' ' ' LEU . 7.0 tt -160.8 -45.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.315 -0.919 0 O-C-N 122.431 -0.452 . . . . 0.0 110.945 179.723 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 3' ' ' VAL . . . . . 0.656 HG21 ' HA ' ' F' ' 28' ' ' PRO . 21.0 t -51.69 -48.82 36.88 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.684 -179.185 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 4' ' ' GLU . . . . . 0.718 ' HB2' HE21 ' F' ' 4' ' ' GLN . 34.0 tt0 -99.63 -45.1 5.89 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.339 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -45.85 -50.73 13.97 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 -179.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 6' ' ' CYS . . . . . 0.555 ' O ' ' HA ' ' E' ' 10' ' ' ILE . 84.6 m -82.92 -14.94 53.2 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 -177.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 7' ' ' CYS . . . . . . . . . . . . . 47.3 t -97.08 -23.6 16.17 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.262 -0.575 . . . . 0.0 111.332 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 8' ' ' THR . . . . . 0.574 HG23 ' H ' ' E' ' 9' ' ' SER . 9.3 t -79.56 -67.89 0.72 Allowed 'General case' 0 C--O 1.235 0.333 0 O-C-N 121.663 -0.648 . . . . 0.0 111.545 -179.356 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 9' ' ' SER . . . . . 0.574 ' H ' HG23 ' E' ' 8' ' ' THR . 23.9 m -104.38 -4.88 22.28 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 117.656 0.207 . . . . 0.0 111.186 -179.435 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 10' ' ' ILE . . . . . 0.727 HD13 ' HB3' ' J' ' 5' ' ' HIS . 35.8 mt 76.8 138.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.286 0 CA-C-O 121.555 0.693 . . . . 0.0 112.326 179.362 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 11' ' ' CYS . . . . . . . . . . . . . 79.8 m -101.53 141.58 34.19 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.976 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 12' ' ' SER . . . . . . . . . . . . . 12.2 m -71.06 167.37 19.39 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 178.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 7.7 tt -56.43 -46.36 80.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.577 0.227 . . . . 0.0 110.44 -179.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 13.4 m-30 -63.06 -32.12 73.41 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.88 0.371 . . . . 0.0 111.315 179.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -70.73 -40.41 72.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.96 0.409 . . . . 0.0 110.213 179.192 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 16' ' ' LEU . . . . . 0.535 ' HB3' HD23 ' F' ' 15' ' ' LEU . 95.7 mt -63.04 -33.01 74.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.362 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 17' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -61.29 -21.37 63.88 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.624 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 18' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -73.52 -12.91 60.93 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.738 0.304 . . . . 0.0 110.836 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 19' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -119.62 29.5 7.56 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.546 0.688 . . . . 0.0 110.069 -179.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 20' ' ' CYS . . . . . . . . . . . . . 43.7 t -102.5 175.55 5.47 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.068 -0.969 . . . . 0.0 110.489 -179.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 21' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.525 -0.75 . . . . 0.0 110.696 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 1' ' ' PHE . . . . . 0.453 ' N ' ' HA ' ' A' ' 8' ' ' THR . 17.5 p90 . . . . . 0 N--CA 1.483 1.195 0 N-CA-C 111.665 0.246 . . . . 0.0 111.665 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 2' ' ' VAL . . . . . . . . . . . . . 21.6 t -78.3 76.27 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.135 0 CA-C-O 121.545 0.688 . . . . 0.0 109.454 179.35 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 3' ' ' ASN . . . . . 0.771 ' HB3' ' HB3' ' F' ' 7' ' ' CYS . 77.5 m-20 -77.98 -0.65 28.57 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.503 -178.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 4' ' ' GLN . . . . . 0.718 HE21 ' HB2' ' E' ' 4' ' ' GLU . 84.3 mt-30 -65.36 -36.08 82.91 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.334 0.588 . . . . 0.0 110.637 179.442 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 5' ' ' HIS . . . . . 0.713 ' HB3' HD13 ' A' ' 10' ' ' ILE . 74.6 t60 -97.68 -8.0 29.7 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.763 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 6' ' ' LEU . . . . . 0.564 ' HB2' ' HA ' ' F' ' 3' ' ' ASN . 77.3 mt -101.35 -76.95 0.55 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.735 179.359 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 7' ' ' CYS . . . . . 0.771 ' HB3' ' HB3' ' F' ' 3' ' ' ASN . 0.0 OUTLIER -63.92 -33.55 75.96 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.388 178.694 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' F' F ' 8' ' ' GLY . . . . . 0.719 ' HA2' ' HG ' ' F' ' 11' ' ' LEU . . . -55.86 -31.04 57.93 Favored Glycine 0 C--N 1.336 0.549 0 C-N-CA 121.175 -0.536 . . . . 0.0 112.216 178.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 9' ' ' SER . . . . . 0.524 ' HB3' ' HG3' ' H' ' 13' ' ' GLU . 14.0 m -69.21 -7.73 39.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.919 0.39 . . . . 0.0 111.095 179.341 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 10' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 -113.54 -8.05 13.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.777 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 11' ' ' LEU . . . . . 0.719 ' HG ' ' HA2' ' F' ' 8' ' ' GLY . 68.1 mt -66.28 -33.92 76.82 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 107.616 -1.253 . . . . 0.0 107.616 177.506 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 12' ' ' VAL . . . . . 0.541 ' O ' ' HB2' ' F' ' 16' ' ' TYR . 3.1 m -67.59 -32.13 55.6 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.38 0 CA-C-N 114.378 -1.283 . . . . 0.0 110.849 178.213 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 13' ' ' GLU . . . . . 0.547 ' HG3' ' HB3' ' H' ' 9' ' ' SER . 41.0 tt0 -62.16 -39.07 91.42 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 179.585 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.1 -45.59 63.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.258 178.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 15' ' ' LEU . . . . . 0.735 HD11 HD11 ' E' ' 2' ' ' ILE . 61.8 mt -58.89 -41.87 88.18 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.647 178.73 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 16' ' ' TYR . . . . . 0.541 ' HB2' ' O ' ' F' ' 12' ' ' VAL . 1.5 t80 -53.58 -46.28 70.25 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.551 -1.204 . . . . 0.0 110.787 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 17' ' ' LEU . . . . . 0.415 HD13 ' NE2' ' H' ' 5' ' ' HIS . 3.9 mm? -68.14 -44.84 75.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.154 179.607 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 66.3 t -64.41 -44.38 97.08 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 CA-C-O 121.007 0.432 . . . . 0.0 111.203 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 19' ' ' CYS . . . . . . . . . . . . . 83.3 m -74.46 -19.23 60.46 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.192 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.43 -108.35 2.4 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 121.162 -0.542 . . . . 0.0 112.841 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 21' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -110.55 11.72 22.92 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.903 0.382 . . . . 0.0 111.288 -179.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 22' ' ' ARG . . . . . . . . . . . . . 66.8 mtp180 -76.05 -74.05 0.24 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.216 0.532 . . . . 0.0 110.047 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 23' ' ' GLY . . . . . 0.483 ' CA ' ' HD2' ' H' ' 28' ' ' PRO . . . 139.44 -176.53 21.02 Favored Glycine 0 N--CA 1.446 -0.693 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.626 -179.773 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 24' ' ' PHE . . . . . 0.463 ' CZ ' ' HB ' ' F' ' 12' ' ' VAL . 2.2 p90 -160.86 170.97 19.59 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.131 0.491 . . . . 0.0 110.683 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 25' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -129.56 135.19 48.28 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 178.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 26' ' ' TYR . . . . . 0.451 ' OH ' ' HA ' ' E' ' 3' ' ' VAL . 3.3 t80 -139.59 106.94 5.52 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 120.106 -0.638 . . . . 0.0 111.537 -177.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 27' ' ' THR . . . . . 0.609 ' HB ' ' HG2' ' F' ' 29' ' ' LYS . 16.8 p -127.13 101.16 25.89 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.296 179.288 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 28' ' ' PRO . . . . . 0.656 ' HA ' HG21 ' E' ' 3' ' ' VAL . 50.2 Cg_endo -70.3 -3.97 13.45 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.771 2.314 . . . . 0.0 112.517 -179.508 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 29' ' ' LYS . . . . . 0.609 ' HG2' ' HB ' ' F' ' 27' ' ' THR . 0.0 OUTLIER -65.79 168.5 7.77 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.26 179.424 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' F' F ' 30' ' ' THR . . . . . . . . . . . . . 9.6 m . . . . . 0 C--O 1.247 0.922 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 178.519 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' G' G ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.894 0 N-CA-C 111.478 -0.649 . . . . 0.0 111.478 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' G' G ' 2' ' ' ILE . . . . . 0.728 HD11 HD11 ' H' ' 15' ' ' LEU . 7.0 tt -160.37 -45.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 O-C-N 122.757 -0.261 . . . . 0.0 111.032 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' G' G ' 3' ' ' VAL . . . . . 0.641 HG21 ' HA ' ' H' ' 28' ' ' PRO . 20.6 t -52.02 -47.85 41.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 121.083 0.468 . . . . 0.0 111.931 -179.119 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' G' G ' 4' ' ' GLU . . . . . 0.716 ' HB2' HE21 ' H' ' 4' ' ' GLN . 34.6 tt0 -99.85 -46.57 5.34 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 120.591 -0.443 . . . . 0.0 109.835 179.408 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' G' G ' 5' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -44.21 -53.15 6.83 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 6' ' ' CYS . . . . . 0.54 ' O ' ' HA ' ' G' ' 10' ' ' ILE . 81.1 m -80.31 -15.05 57.81 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 -178.045 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' G' G ' 7' ' ' CYS . . . . . . . . . . . . . 49.9 t -98.18 -21.84 16.5 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.357 -0.537 . . . . 0.0 111.56 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 8' ' ' THR . . . . . 0.564 HG23 ' H ' ' G' ' 9' ' ' SER . 8.9 t -81.07 -66.52 0.88 Allowed 'General case' 0 C--N 1.329 -0.322 0 O-C-N 121.897 -0.502 . . . . 0.0 111.498 -179.259 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' G' G ' 9' ' ' SER . . . . . 0.568 ' O ' ' HB ' ' G' ' 10' ' ' ILE . 22.6 m -105.41 -6.59 19.39 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 117.66 0.209 . . . . 0.0 111.372 -179.609 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' G' G ' 10' ' ' ILE . . . . . 0.729 HD13 ' HB3' ' D' ' 5' ' ' HIS . 34.2 mt 78.65 137.3 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 O-C-N 124.187 0.929 . . . . 0.0 112.202 179.292 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' G' G ' 11' ' ' CYS . . . . . . . . . . . . . 82.8 m -100.04 141.68 32.55 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.911 179.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 12' ' ' SER . . . . . . . . . . . . . 15.6 m -72.02 166.73 21.64 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 178.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 13' ' ' LEU . . . . . 0.403 HD11 HD11 ' A' ' 13' ' ' LEU . 7.5 tt -54.95 -46.73 75.03 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.678 0.275 . . . . 0.0 110.699 -179.34 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 13.8 m-30 -62.95 -32.0 73.22 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.413 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -70.99 -39.21 72.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.792 0.33 . . . . 0.0 110.215 179.115 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 16' ' ' LEU . . . . . 0.517 ' HB3' HD23 ' H' ' 15' ' ' LEU . 95.5 mt -64.06 -32.96 74.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.272 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' G' G ' 17' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -61.68 -20.18 63.15 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 111.738 0.273 . . . . 0.0 111.738 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 18' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -74.5 -12.1 60.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.785 0.326 . . . . 0.0 110.776 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 19' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -121.11 31.14 6.5 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.642 0.734 . . . . 0.0 109.8 -179.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 20' ' ' CYS . . . . . . . . . . . . . 46.6 t -104.55 174.6 5.8 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.441 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 21' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.399 -0.81 . . . . 0.0 110.583 179.668 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' H' H ' 1' ' ' PHE . . . . . 0.427 ' N ' ' HA ' ' K' ' 8' ' ' THR . 17.7 p90 . . . . . 0 N--CA 1.48 1.057 0 N-CA-C 111.608 0.225 . . . . 0.0 111.608 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 2' ' ' VAL . . . . . . . . . . . . . 21.6 t -78.75 74.36 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.149 0 CA-C-O 121.57 0.7 . . . . 0.0 109.516 179.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 3' ' ' ASN . . . . . 0.788 ' HB3' ' HB3' ' H' ' 7' ' ' CYS . 79.8 m-20 -77.18 2.18 16.17 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.654 -178.333 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' H' H ' 4' ' ' GLN . . . . . 0.716 HE21 ' HB2' ' G' ' 4' ' ' GLU . 84.6 mt-30 -68.27 -35.76 78.36 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.14 0.495 . . . . 0.0 110.264 179.458 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' H' H ' 5' ' ' HIS . . . . . 0.733 ' HB3' HD13 ' K' ' 10' ' ' ILE . 73.2 t60 -97.27 -9.09 28.3 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.647 179.736 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' H' H ' 6' ' ' LEU . . . . . 0.561 ' HB2' ' HA ' ' H' ' 3' ' ' ASN . 73.9 mt -100.24 -76.69 0.55 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.146 179.438 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' H' H ' 7' ' ' CYS . . . . . 0.788 ' HB3' ' HB3' ' H' ' 3' ' ' ASN . 0.0 OUTLIER -64.47 -32.77 74.54 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.261 178.884 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' H' H ' 8' ' ' GLY . . . . . 0.702 ' HA2' ' HG ' ' H' ' 11' ' ' LEU . . . -56.38 -31.11 59.42 Favored Glycine 0 C--N 1.334 0.441 0 C-N-CA 121.115 -0.564 . . . . 0.0 112.11 178.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' H' H ' 9' ' ' SER . . . . . 0.547 ' HB3' ' HG3' ' F' ' 13' ' ' GLU . 14.2 m -69.3 -7.27 35.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.857 0.36 . . . . 0.0 111.155 179.441 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' H' H ' 10' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 -114.24 -7.67 12.96 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.663 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 11' ' ' LEU . . . . . 0.702 ' HG ' ' HA2' ' H' ' 8' ' ' GLY . 69.4 mt -66.79 -33.78 76.38 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 177.333 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' H' H ' 12' ' ' VAL . . . . . 0.534 ' O ' ' HB2' ' H' ' 16' ' ' TYR . 2.9 m -67.75 -31.67 53.31 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.288 0 CA-C-N 114.513 -1.221 . . . . 0.0 110.71 178.241 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' H' H ' 13' ' ' GLU . . . . . 0.524 ' HG3' ' HB3' ' F' ' 9' ' ' SER . 40.9 tt0 -62.59 -38.75 91.34 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 179.634 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' H' H ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.28 -46.42 60.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.934 178.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 15' ' ' LEU . . . . . 0.728 HD11 HD11 ' G' ' 2' ' ' ILE . 62.4 mt -58.28 -41.7 84.93 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.592 0.71 . . . . 0.0 109.823 178.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' H' H ' 16' ' ' TYR . . . . . 0.534 ' HB2' ' O ' ' H' ' 12' ' ' VAL . 1.5 t80 -53.74 -46.13 70.78 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 114.476 -1.238 . . . . 0.0 110.752 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' H' H ' 17' ' ' LEU . . . . . 0.44 HD13 ' NE2' ' F' ' 5' ' ' HIS . 3.9 mm? -67.81 -45.19 75.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.163 179.535 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 61.4 t -63.74 -46.55 94.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.144 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 19' ' ' CYS . . . . . . . . . . . . . 82.2 m -72.4 -19.13 61.66 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.388 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.18 -108.97 2.65 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.885 179.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 21' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -110.44 12.64 22.94 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.796 0.332 . . . . 0.0 111.43 -179.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 22' ' ' ARG . . . . . . . . . . . . . 67.0 mtp180 -77.24 -73.77 0.28 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.944 179.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 23' ' ' GLY . . . . . 0.499 ' CA ' ' HD2' ' F' ' 28' ' ' PRO . . . 139.24 -176.45 21.0 Favored Glycine 0 N--CA 1.445 -0.729 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.546 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' H' H ' 24' ' ' PHE . . . . . 0.451 ' CZ ' ' HB ' ' H' ' 12' ' ' VAL . 2.3 p90 -161.29 170.36 20.35 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.25 0.547 . . . . 0.0 110.601 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' H' H ' 25' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -128.78 136.98 51.27 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 177.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 26' ' ' TYR . . . . . 0.446 ' OH ' ' HA ' ' G' ' 3' ' ' VAL . 3.2 t80 -141.45 106.61 4.98 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.212 -0.595 . . . . 0.0 111.385 -177.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' H' H ' 27' ' ' THR . . . . . 0.629 ' HB ' ' HG2' ' H' ' 29' ' ' LYS . 10.1 p -127.04 100.75 26.77 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.264 179.595 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' H' H ' 28' ' ' PRO . . . . . 0.641 ' HA ' HG21 ' G' ' 3' ' ' VAL . 52.8 Cg_endo -70.09 -1.22 8.38 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.688 2.259 . . . . 0.0 112.645 -179.602 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' H' H ' 29' ' ' LYS . . . . . 0.629 ' HG2' ' HB ' ' H' ' 27' ' ' THR . 0.0 OUTLIER -69.28 164.85 21.87 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.316 179.831 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' H' H ' 30' ' ' THR . . . . . . . . . . . . . 9.0 m . . . . . 0 C--O 1.245 0.861 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 178.535 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' I' I ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.688 0 N-CA-C 111.294 -0.722 . . . . 0.0 111.294 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' I' I ' 2' ' ' ILE . . . . . 0.746 HD11 HD11 ' J' ' 15' ' ' LEU . 6.6 tt -160.05 -45.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.315 -0.916 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.051 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' I' I ' 3' ' ' VAL . . . . . 0.635 HG21 ' HA ' ' J' ' 28' ' ' PRO . 20.0 t -51.78 -50.32 32.66 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.099 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.463 -179.434 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' I' I ' 4' ' ' GLU . . . . . 0.717 ' HB2' HE21 ' J' ' 4' ' ' GLN . 32.7 tt0 -97.84 -45.93 6.13 Favored 'General case' 0 N--CA 1.443 -0.819 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.03 179.274 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' I' I ' 5' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -44.46 -52.77 7.56 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -179.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 6' ' ' CYS . . . . . 0.549 ' O ' ' HA ' ' I' ' 10' ' ' ILE . 81.5 m -80.75 -15.12 57.29 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 113.191 0.811 . . . . 0.0 113.191 -177.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' I' I ' 7' ' ' CYS . . . . . . . . . . . . . 45.8 t -97.58 -22.47 16.49 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.452 -0.499 . . . . 0.0 111.327 -179.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 8' ' ' THR . . . . . 0.536 HG23 ' H ' ' I' ' 9' ' ' SER . 10.6 t -80.48 -66.96 0.82 Allowed 'General case' 0 CA--C 1.534 0.349 0 O-C-N 121.789 -0.569 . . . . 0.0 111.472 -179.138 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' I' I ' 9' ' ' SER . . . . . 0.558 ' O ' ' HB ' ' I' ' 10' ' ' ILE . 19.9 m -105.34 -6.01 19.98 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.566 0.222 . . . . 0.0 111.242 -179.446 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' I' I ' 10' ' ' ILE . . . . . 0.745 HD13 ' HB3' ' B' ' 5' ' ' HIS . 35.0 mt 77.81 136.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-N 115.626 -0.716 . . . . 0.0 112.22 179.322 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' I' I ' 11' ' ' CYS . . . . . . . . . . . . . 80.3 m -99.53 142.34 31.13 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.432 -0.803 . . . . 0.0 109.842 179.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 12' ' ' SER . . . . . . . . . . . . . 19.9 m -72.4 167.39 20.63 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 178.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 13' ' ' LEU . . . . . . . . . . . . . 7.7 tt -56.14 -46.47 79.21 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.599 0.238 . . . . 0.0 110.563 -179.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 13.8 m-30 -63.11 -32.2 73.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.764 0.316 . . . . 0.0 111.261 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 15' ' ' GLN . . . . . 0.427 ' HA ' ' OE1' ' I' ' 15' ' ' GLN . 12.1 mm100 -70.62 -39.82 73.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.89 0.376 . . . . 0.0 110.326 179.136 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' I' I ' 16' ' ' LEU . . . . . 0.546 ' HB3' HD23 ' J' ' 15' ' ' LEU . 95.8 mt -63.59 -32.53 74.03 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.19 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' I' I ' 17' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -62.19 -18.89 62.32 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.703 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 18' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -76.18 -10.73 59.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.076 0.465 . . . . 0.0 110.774 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 19' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -122.35 31.64 6.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.5 0.666 . . . . 0.0 109.716 -179.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 20' ' ' CYS . . . . . . . . . . . . . 49.6 t -105.21 175.26 5.55 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.447 -179.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 21' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.251 1.153 0 CA-C-O 118.591 -0.718 . . . . 0.0 110.676 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' J' J ' 1' ' ' PHE . . . . . 0.45 ' N ' ' HA ' ' E' ' 8' ' ' THR . 17.2 p90 . . . . . 0 N--CA 1.479 0.988 0 N-CA-C 111.61 0.226 . . . . 0.0 111.61 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' J' J ' 2' ' ' VAL . . . . . . . . . . . . . 21.5 t -77.74 74.22 0.57 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.128 0 CA-C-O 121.558 0.694 . . . . 0.0 109.982 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' J' J ' 3' ' ' ASN . . . . . 0.77 ' HB3' ' HB3' ' J' ' 7' ' ' CYS . 78.4 m-20 -76.12 0.35 19.18 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.761 -178.75 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' J' J ' 4' ' ' GLN . . . . . 0.717 HE21 ' HB2' ' I' ' 4' ' ' GLU . 85.1 mt-30 -66.98 -35.46 80.01 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.224 0.535 . . . . 0.0 110.442 179.319 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' J' J ' 5' ' ' HIS . . . . . 0.727 ' HB3' HD13 ' E' ' 10' ' ' ILE . 73.6 t60 -98.01 -8.34 28.11 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.802 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' J' J ' 6' ' ' LEU . . . . . 0.586 ' HB2' ' HA ' ' J' ' 3' ' ' ASN . 74.8 mt -101.02 -76.76 0.55 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.916 179.608 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' J' J ' 7' ' ' CYS . . . . . 0.77 ' HB3' ' HB3' ' J' ' 3' ' ' ASN . 0.0 OUTLIER -64.29 -33.17 75.22 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.329 -0.851 . . . . 0.0 110.336 178.718 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' J' J ' 8' ' ' GLY . . . . . 0.718 ' HA2' ' HG ' ' J' ' 11' ' ' LEU . . . -56.13 -31.01 58.63 Favored Glycine 0 C--N 1.335 0.523 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.255 178.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' J' J ' 9' ' ' SER . . . . . 0.562 ' HB3' ' HG3' ' L' ' 13' ' ' GLU . 14.1 m -69.21 -7.54 37.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.005 0.431 . . . . 0.0 111.043 179.385 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' J' J ' 10' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -113.85 -7.95 13.18 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.762 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' J' J ' 11' ' ' LEU . . . . . 0.718 ' HG ' ' HA2' ' J' ' 8' ' ' GLY . 69.9 mt -66.42 -33.86 76.64 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 177.521 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' J' J ' 12' ' ' VAL . . . . . 0.536 ' O ' ' HB2' ' J' ' 16' ' ' TYR . 3.1 m -67.65 -31.85 54.25 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.433 0 CA-C-N 114.465 -1.243 . . . . 0.0 110.755 178.391 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' J' J ' 13' ' ' GLU . . . . . 0.528 ' HG3' ' HB3' ' L' ' 9' ' ' SER . 43.2 tt0 -62.56 -38.5 90.32 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 179.67 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' J' J ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.26 -46.11 61.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.034 178.134 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' J' J ' 15' ' ' LEU . . . . . 0.746 HD11 HD11 ' I' ' 2' ' ' ILE . 59.6 mt -58.87 -41.65 87.55 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 121.563 0.697 . . . . 0.0 109.706 178.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' J' J ' 16' ' ' TYR . . . . . 0.536 ' HB2' ' O ' ' J' ' 12' ' ' VAL . 1.6 t80 -54.04 -45.17 71.55 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 114.565 -1.198 . . . . 0.0 110.715 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' J' J ' 17' ' ' LEU . . . . . 0.439 HD13 ' NE2' ' L' ' 5' ' ' HIS . 3.9 mm? -68.75 -44.73 73.13 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.113 179.594 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 66.6 t -64.43 -44.34 97.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.333 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' J' J ' 19' ' ' CYS . . . . . . . . . . . . . 79.5 m -74.91 -19.27 60.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.188 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' J' J ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.9 -106.74 1.8 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 121.057 -0.592 . . . . 0.0 113.143 179.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' J' J ' 21' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -113.34 13.23 19.01 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.952 0.406 . . . . 0.0 111.102 -179.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' J' J ' 22' ' ' ARG . . . . . . . . . . . . . 67.0 mtp180 -76.98 -74.5 0.24 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.627 178.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' J' J ' 23' ' ' GLY . . . . . 0.496 ' CA ' ' HD2' ' L' ' 28' ' ' PRO . . . 139.86 -175.99 21.49 Favored Glycine 0 N--CA 1.444 -0.784 0 N-CA-C 111.39 -0.684 . . . . 0.0 111.39 179.732 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' J' J ' 24' ' ' PHE . . . . . 0.459 ' CZ ' ' HB ' ' J' ' 12' ' ' VAL . 2.3 p90 -161.16 170.72 19.8 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.153 0.501 . . . . 0.0 110.67 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' J' J ' 25' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -129.15 136.39 50.12 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 178.045 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' J' J ' 26' ' ' TYR . . . . . 0.462 ' OH ' ' HA ' ' I' ' 3' ' ' VAL . 3.2 t80 -140.77 106.41 5.11 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.095 -0.642 . . . . 0.0 111.277 -178.054 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' J' J ' 27' ' ' THR . . . . . 0.616 ' HB ' ' HG2' ' J' ' 29' ' ' LYS . 15.8 p -126.75 101.48 26.7 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.306 179.112 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' J' J ' 28' ' ' PRO . . . . . 0.635 ' HA ' HG21 ' I' ' 3' ' ' VAL . 45.5 Cg_endo -70.06 -3.63 12.6 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.809 2.339 . . . . 0.0 112.771 -179.386 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' J' J ' 29' ' ' LYS . . . . . 0.616 ' HG2' ' HB ' ' J' ' 27' ' ' THR . 0.0 OUTLIER -66.05 169.57 6.73 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.941 179.391 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' J' J ' 30' ' ' THR . . . . . . . . . . . . . 13.9 m . . . . . 0 C--O 1.248 0.985 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 178.488 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.275 0 N-CA-C 110.769 -0.932 . . . . 0.0 110.769 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' K' K ' 2' ' ' ILE . . . . . 0.75 HD11 HD11 ' L' ' 15' ' ' LEU . 7.4 tt -160.81 -45.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-N 116.613 0.207 . . . . 0.0 111.212 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' K' K ' 3' ' ' VAL . . . . . 0.657 HG21 ' HA ' ' L' ' 28' ' ' PRO . 19.6 t -51.31 -49.11 31.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.08 -0.509 . . . . 0.0 112.062 -179.118 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' K' K ' 4' ' ' GLU . . . . . 0.736 ' HB2' HE21 ' L' ' 4' ' ' GLN . 33.7 tt0 -99.56 -45.42 5.81 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 179.304 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' K' K ' 5' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -44.92 -52.47 8.66 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' K' K ' 6' ' ' CYS . . . . . 0.549 ' O ' ' HA ' ' K' ' 10' ' ' ILE . 85.1 m -81.22 -15.18 56.41 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -177.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' K' K ' 7' ' ' CYS . . . . . . . . . . . . . 46.2 t -97.05 -22.9 16.53 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.508 -0.477 . . . . 0.0 111.428 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' K' K ' 8' ' ' THR . . . . . 0.544 HG23 ' H ' ' K' ' 9' ' ' SER . 9.8 t -80.08 -67.22 0.79 Allowed 'General case' 0 C--O 1.235 0.298 0 O-C-N 121.568 -0.708 . . . . 0.0 111.621 -179.345 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' K' K ' 9' ' ' SER . . . . . 0.545 ' O ' ' HB ' ' K' ' 10' ' ' ILE . 16.9 m -105.5 -4.55 21.15 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.687 0.28 . . . . 0.0 111.295 -179.192 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' K' K ' 10' ' ' ILE . . . . . 0.733 HD13 ' HB3' ' H' ' 5' ' ' HIS . 33.4 mt 76.53 137.37 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 CA-C-N 115.416 -0.811 . . . . 0.0 112.487 179.045 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' K' K ' 11' ' ' CYS . . . . . . . . . . . . . 80.3 m -100.11 140.89 33.69 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.107 179.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' K' K ' 12' ' ' SER . . . . . . . . . . . . . 22.4 m -71.0 166.74 20.67 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 178.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' K' K ' 13' ' ' LEU . . . . . . . . . . . . . 7.6 tt -55.13 -46.74 75.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.633 0.254 . . . . 0.0 110.624 -179.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 13.7 m-30 -63.25 -30.56 71.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.864 0.364 . . . . 0.0 111.48 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -72.7 -39.34 67.09 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.1 179.122 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' K' K ' 16' ' ' LEU . . . . . 0.534 ' HB3' HD23 ' L' ' 15' ' ' LEU . 96.0 mt -63.84 -32.35 73.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.258 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' K' K ' 17' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -62.27 -18.59 61.68 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.63 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' K' K ' 18' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -76.92 -9.88 58.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.916 0.389 . . . . 0.0 110.721 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' K' K ' 19' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -122.54 30.01 6.68 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.47 0.653 . . . . 0.0 109.768 -179.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' K' K ' 20' ' ' CYS . . . . . . . . . . . . . 46.0 t -103.63 176.22 5.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.398 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' K' K ' 21' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.463 -0.78 . . . . 0.0 110.189 179.764 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' L' L ' 1' ' ' PHE . . . . . 0.435 ' N ' ' HA ' ' C' ' 8' ' ' THR . 18.7 p90 . . . . . 0 N--CA 1.48 1.066 0 N-CA-C 111.32 0.119 . . . . 0.0 111.32 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' L' L ' 2' ' ' VAL . . . . . . . . . . . . . 21.5 t -79.48 75.31 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.103 0 CA-C-O 121.683 0.754 . . . . 0.0 109.393 179.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' L' L ' 3' ' ' ASN . . . . . 0.788 ' HB3' ' HB3' ' L' ' 7' ' ' CYS . 78.8 m-20 -77.25 -0.5 25.56 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.629 -178.742 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' L' L ' 4' ' ' GLN . . . . . 0.736 HE21 ' HB2' ' K' ' 4' ' ' GLU . 83.5 mt-30 -66.23 -35.5 80.6 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.264 0.554 . . . . 0.0 110.466 179.402 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' L' L ' 5' ' ' HIS . . . . . 0.71 ' HB3' HD13 ' C' ' 10' ' ' ILE . 73.1 t60 -98.5 -7.59 28.15 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.729 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' L' L ' 6' ' ' LEU . . . . . 0.576 ' HB2' ' HA ' ' L' ' 3' ' ' ASN . 75.3 mt -101.81 -76.3 0.57 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.828 179.325 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' L' L ' 7' ' ' CYS . . . . . 0.788 ' HB3' ' HB3' ' L' ' 3' ' ' ASN . 0.0 OUTLIER -64.26 -33.37 75.67 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.388 178.717 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' L' L ' 8' ' ' GLY . . . . . 0.737 ' HA2' ' HG ' ' L' ' 11' ' ' LEU . . . -56.48 -30.47 58.82 Favored Glycine 0 C--N 1.336 0.539 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.213 178.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' L' L ' 9' ' ' SER . . . . . 0.528 ' HB3' ' HG3' ' J' ' 13' ' ' GLU . 13.3 m -69.56 -7.27 37.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.055 0.455 . . . . 0.0 111.087 179.36 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' L' L ' 10' ' ' HIS . . . . . . . . . . . . . 86.5 m-70 -114.11 -7.88 13.03 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 120.942 0.401 . . . . 0.0 110.775 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' L' L ' 11' ' ' LEU . . . . . 0.737 ' HG ' ' HA2' ' L' ' 8' ' ' GLY . 71.4 mt -66.41 -34.09 77.18 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 107.479 -1.304 . . . . 0.0 107.479 177.433 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' L' L ' 12' ' ' VAL . . . . . 0.548 ' O ' ' HB2' ' L' ' 16' ' ' TYR . 3.0 m -67.37 -31.86 54.76 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.327 0 CA-C-N 114.528 -1.214 . . . . 0.0 110.86 178.255 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' L' L ' 13' ' ' GLU . . . . . 0.562 ' HG3' ' HB3' ' J' ' 9' ' ' SER . 41.9 tt0 -62.75 -38.73 91.72 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 179.655 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' L' L ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.98 -46.19 62.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.05 178.012 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' L' L ' 15' ' ' LEU . . . . . 0.75 HD11 HD11 ' K' ' 2' ' ' ILE . 59.6 mt -58.55 -41.95 86.77 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.626 0.727 . . . . 0.0 109.854 178.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' L' L ' 16' ' ' TYR . . . . . 0.548 ' HB2' ' O ' ' L' ' 12' ' ' VAL . 1.5 t80 -53.64 -45.08 70.07 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.496 -1.229 . . . . 0.0 111.113 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' L' L ' 17' ' ' LEU . . . . . 0.424 HD13 ' NE2' ' J' ' 5' ' ' HIS . 3.9 mm? -69.44 -43.98 72.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.012 179.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 64.8 t -65.29 -44.42 94.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.113 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' L' L ' 19' ' ' CYS . . . . . . . . . . . . . 84.4 m -73.99 -19.59 60.61 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.252 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' L' L ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.9 -108.13 2.33 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.917 179.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' L' L ' 21' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -111.71 11.96 21.05 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.767 0.318 . . . . 0.0 111.283 -179.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' L' L ' 22' ' ' ARG . . . . . . . . . . . . . 66.9 mtp180 -76.09 -73.55 0.27 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.985 179.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' L' L ' 23' ' ' GLY . . . . . 0.498 ' CA ' ' HD2' ' J' ' 28' ' ' PRO . . . 138.92 -176.57 20.83 Favored Glycine 0 N--CA 1.444 -0.809 0 N-CA-C 111.552 -0.619 . . . . 0.0 111.552 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' L' L ' 24' ' ' PHE . . . . . 0.453 ' CZ ' ' HB ' ' L' ' 12' ' ' VAL . 2.4 p90 -160.76 170.92 19.78 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.901 0.381 . . . . 0.0 110.787 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' L' L ' 25' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -129.28 135.77 49.2 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 178.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' L' L ' 26' ' ' TYR . . . . . 0.456 ' OH ' ' HA ' ' K' ' 3' ' ' VAL . 3.2 t80 -140.33 106.6 5.25 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.207 -0.597 . . . . 0.0 111.48 -178.006 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' L' L ' 27' ' ' THR . . . . . 0.621 ' HB ' ' HG2' ' L' ' 29' ' ' LYS . 14.8 p -127.03 101.38 25.94 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.317 179.18 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' L' L ' 28' ' ' PRO . . . . . 0.657 ' HA ' HG21 ' K' ' 3' ' ' VAL . 49.1 Cg_endo -70.29 -2.74 11.05 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 122.828 2.352 . . . . 0.0 112.618 -179.507 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' L' L ' 29' ' ' LYS . . . . . 0.621 ' HG2' ' HB ' ' L' ' 27' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.066 179.496 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.387 0 N-CA-C 111.66 -0.576 . . . . 0.0 111.66 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.8 tt -142.18 -35.85 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.76 0.314 . . . . 0.0 111.111 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 29.5 m -63.0 -36.45 75.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 -179.23 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -83.4 -2.51 55.97 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.251 0.548 . . . . 0.0 111.516 -179.212 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.43 ' HG2' ' SG ' ' A' ' 11' ' ' CYS . 36.9 tt0 -108.28 -39.89 5.33 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.176 0.512 . . . . 0.0 110.695 179.665 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 72.9 m -90.08 -34.46 15.91 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -178.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.641 ' HB2' HD11 ' B' ' 11' ' ' LEU . 15.0 t -91.43 26.97 2.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.059 0.457 . . . . 0.0 111.34 -179.282 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.1 p -126.97 -64.2 1.02 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.0 0.428 . . . . 0.0 110.667 179.1 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.401 ' O ' ' HB ' ' A' ' 10' ' ' ILE . 45.6 m -124.93 12.19 8.39 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.291 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.401 ' HB ' ' O ' ' A' ' 9' ' ' SER . 2.3 mp 70.35 140.28 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-O 121.644 0.735 . . . . 0.0 110.908 -179.533 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.43 ' SG ' ' HG2' ' A' ' 5' ' ' GLN . 92.6 m -93.86 147.91 22.63 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.779 -178.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.4 t -76.4 162.58 27.75 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.278 178.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.8 tt -56.32 -44.04 79.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.931 0.396 . . . . 0.0 110.582 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 -67.2 -32.87 74.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.052 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.507 ' HA ' ' ND2' ' A' ' 18' ' ' ASN . 86.6 mt-30 -70.41 -39.79 74.27 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 178.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 94.0 mt -63.83 -38.56 91.55 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.71 179.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -65.39 -21.48 66.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.433 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.507 ' ND2' ' HA ' ' A' ' 15' ' ' GLN . 86.4 m-20 -66.23 -31.5 72.35 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.168 0.509 . . . . 0.0 109.761 178.726 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -93.48 -10.93 33.3 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.508 179.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.615 ' HA ' ' HB3' ' B' ' 24' ' ' PHE . 23.1 t -77.14 161.17 28.44 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.634 -179.686 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.243 0.749 0 CA-C-O 118.498 -0.763 . . . . 0.0 110.16 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 35.5 t80 . . . . . 0 N--CA 1.478 0.94 0 CA-C-O 120.745 0.307 . . . . 0.0 110.329 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . 0.771 HG22 ' H ' ' B' ' 3' ' ' ASN . 4.4 p -73.1 -175.97 0.19 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 109.849 179.674 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . 0.771 ' H ' HG22 ' B' ' 2' ' ' VAL . 25.6 t-20 73.67 -73.7 0.09 Allowed 'General case' 0 C--O 1.212 -0.904 0 C-N-CA 123.055 0.542 . . . . 0.0 109.792 -179.592 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -57.75 -44.5 86.13 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.729 0.3 . . . . 0.0 111.429 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -70.15 -9.32 55.26 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.858 -179.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 30.2 mt -112.77 -31.11 6.84 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.725 0.774 . . . . 0.0 110.025 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . 0.472 ' HB3' ' O ' ' B' ' 3' ' ' ASN . 0.0 OUTLIER -74.88 -41.68 59.33 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.631 -1.168 . . . . 0.0 110.616 -179.476 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . 0.555 ' HA2' ' HG ' ' B' ' 11' ' ' LEU . . . -60.55 -26.84 65.12 Favored Glycine 0 C--N 1.332 0.346 0 C-N-CA 121.007 -0.616 . . . . 0.0 111.773 179.284 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . 0.507 ' O ' ' HG2' ' D' ' 13' ' ' GLU . 8.6 m -64.33 -19.12 65.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.973 0.416 . . . . 0.0 111.032 179.589 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . 0.487 ' HA ' ' HG3' ' B' ' 13' ' ' GLU . 98.8 m-70 -108.38 -15.32 14.49 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.737 0.303 . . . . 0.0 111.378 -179.094 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.641 HD11 ' HB2' ' A' ' 7' ' ' CYS . 36.1 mt -68.18 -34.27 75.98 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 177.803 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.669 ' HA ' ' HB2' ' B' ' 15' ' ' LEU . 2.1 m -68.02 -28.62 41.84 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 CA-C-N 114.924 -1.034 . . . . 0.0 112.133 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.504 ' HG2' ' O ' ' D' ' 9' ' ' SER . 27.0 mt-10 -61.09 -53.52 56.03 Favored 'General case' 0 CA--C 1.519 -0.232 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 179.444 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.05 -27.61 64.79 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.21 -0.904 . . . . 0.0 110.668 179.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.669 ' HB2' ' HA ' ' B' ' 12' ' ' VAL . 1.7 mt -56.34 -60.33 3.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.63 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . 0.804 ' HB3' ' HE2' ' B' ' 24' ' ' PHE . 0.9 OUTLIER -76.34 -15.62 59.93 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 119.908 -0.717 . . . . 0.0 110.613 -179.324 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 9.0 tt -67.19 -42.08 84.77 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 178.073 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 53.9 t -68.55 -35.97 72.63 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.446 178.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . 1.068 ' HB3' ' HB2' ' B' ' 22' ' ' ARG . 74.4 m -73.81 -16.59 61.14 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.236 -0.893 . . . . 0.0 111.683 179.724 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.95 -96.1 0.85 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.994 -0.622 . . . . 0.0 111.72 -179.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -108.78 2.9 22.02 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.89 0.376 . . . . 0.0 110.231 178.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . 1.068 ' HB2' ' HB3' ' B' ' 19' ' ' CYS . 76.2 mtt180 -79.39 163.72 24.59 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.277 178.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . 0.46 ' HA3' HG22 ' D' ' 27' ' ' THR . . . -108.78 -162.19 20.28 Favored Glycine 0 N--CA 1.442 -0.923 0 N-CA-C 110.423 -1.071 . . . . 0.0 110.423 177.65 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . 0.804 ' HE2' ' HB3' ' B' ' 16' ' ' TYR . 5.1 p90 -172.48 170.51 4.9 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 117.427 0.613 . . . . 0.0 111.557 179.372 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -115.04 111.14 20.64 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 177.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 81.9 t80 -110.68 118.69 36.87 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.059 -177.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . 0.499 HG22 ' HA3' ' D' ' 23' ' ' GLY . 3.1 p -123.47 96.63 43.49 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-O 121.241 0.543 . . . . 0.0 110.584 179.654 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -84.56 45.58 1.73 Allowed 'Trans proline' 0 C--O 1.238 0.522 0 C-N-CA 123.18 2.586 . . . . 0.0 113.311 -179.151 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -91.65 135.3 33.98 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.055 0.455 . . . . 0.0 110.475 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 19.6 m . . . . . 0 C--O 1.251 1.181 0 CA-C-O 118.143 -0.932 . . . . 0.0 109.024 179.824 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.525 0 N-CA-C 111.722 -0.551 . . . . 0.0 111.722 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 7.2 tt -140.7 -36.89 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.741 0.305 . . . . 0.0 111.078 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 23.4 m -60.68 -38.98 80.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -179.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -81.48 -2.93 51.54 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.116 0.484 . . . . 0.0 111.626 -179.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 5' ' ' GLN . . . . . 0.411 ' HG2' ' SG ' ' C' ' 11' ' ' CYS . 36.9 tt0 -107.91 -39.67 5.48 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.127 0.489 . . . . 0.0 110.666 179.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 72.7 m -90.57 -34.22 15.59 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -178.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 7' ' ' CYS . . . . . 0.623 ' HB2' HD11 ' D' ' 11' ' ' LEU . 13.4 t -91.3 27.18 1.99 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.054 0.454 . . . . 0.0 111.257 -179.416 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 11.0 p -127.48 -64.33 0.99 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.999 0.428 . . . . 0.0 110.862 178.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 9' ' ' SER . . . . . 0.444 ' O ' ' HB ' ' C' ' 10' ' ' ILE . 45.5 m -124.23 10.23 8.66 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.213 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . 0.444 ' HB ' ' O ' ' C' ' 9' ' ' SER . 2.3 mp 72.66 140.97 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-O 121.352 0.596 . . . . 0.0 110.556 -179.68 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 11' ' ' CYS . . . . . 0.411 ' SG ' ' HG2' ' C' ' 5' ' ' GLN . 86.4 m -94.84 148.09 22.67 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.794 -0.639 . . . . 0.0 112.06 -178.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 29.1 t -76.34 161.48 28.68 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.566 178.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 9.6 tt -55.22 -44.68 75.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.888 0.375 . . . . 0.0 110.74 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -66.92 -32.75 74.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.23 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . 0.536 ' HA ' ' ND2' ' C' ' 18' ' ' ASN . 88.3 mt-30 -70.55 -39.94 73.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.11 0.481 . . . . 0.0 109.778 178.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 94.0 mt -63.83 -37.75 88.54 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.873 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -66.77 -19.93 65.85 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.694 -0.23 . . . . 0.0 111.316 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 18' ' ' ASN . . . . . 0.536 ' ND2' ' HA ' ' C' ' 15' ' ' GLN . 85.2 m-20 -66.92 -31.75 72.54 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 121.243 0.544 . . . . 0.0 109.719 178.552 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -93.28 -10.77 34.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.641 179.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 20' ' ' CYS . . . . . 0.607 ' HA ' ' HB3' ' D' ' 24' ' ' PHE . 24.6 t -77.52 160.6 28.52 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.115 -0.948 . . . . 0.0 110.717 -179.753 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 21' ' ' ASN . . . . . 0.412 HD22 ' HA ' ' C' ' 21' ' ' ASN . 0.8 OUTLIER . . . . . 0 C--O 1.243 0.72 0 CA-C-O 118.372 -0.823 . . . . 0.0 110.588 -179.573 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 39.6 t80 . . . . . 0 N--CA 1.48 1.033 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' D' D ' 2' ' ' VAL . . . . . 0.756 HG22 ' H ' ' D' ' 3' ' ' ASN . 4.9 p -73.19 -176.36 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 179.593 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 3' ' ' ASN . . . . . 0.756 ' H ' HG22 ' D' ' 2' ' ' VAL . 23.8 t-20 73.98 -73.59 0.1 Allowed 'General case' 0 C--O 1.211 -0.969 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 -179.695 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -57.67 -45.08 86.05 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.743 0.306 . . . . 0.0 111.576 179.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 5' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -69.86 -8.94 52.7 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 116.314 -0.403 . . . . 0.0 112.044 -179.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 29.6 mt -112.98 -31.79 6.58 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.723 0.773 . . . . 0.0 109.903 179.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 7' ' ' CYS . . . . . 0.474 ' HB3' ' O ' ' D' ' 3' ' ' ASN . 0.0 OUTLIER -74.33 -41.36 61.23 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.712 -179.534 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' D' D ' 8' ' ' GLY . . . . . 0.532 ' HA2' ' HG ' ' D' ' 11' ' ' LEU . . . -60.54 -26.82 65.08 Favored Glycine 0 C--N 1.333 0.386 0 C-N-CA 121.185 -0.531 . . . . 0.0 111.878 179.236 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 9' ' ' SER . . . . . 0.504 ' O ' ' HG2' ' B' ' 13' ' ' GLU . 9.1 m -64.72 -19.33 65.71 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.093 0.473 . . . . 0.0 111.097 179.48 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 10' ' ' HIS . . . . . 0.498 ' HA ' ' HG3' ' D' ' 13' ' ' GLU . 98.7 m-70 -108.05 -15.47 14.51 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.427 -179.174 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 11' ' ' LEU . . . . . 0.623 HD11 ' HB2' ' C' ' 7' ' ' CYS . 35.7 mt -68.14 -34.21 75.91 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 177.768 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 12' ' ' VAL . . . . . 0.666 ' HA ' ' HB2' ' D' ' 15' ' ' LEU . 2.0 m -68.0 -28.85 42.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 115.079 -0.964 . . . . 0.0 112.118 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 13' ' ' GLU . . . . . 0.507 ' HG2' ' O ' ' B' ' 9' ' ' SER . 26.2 mt-10 -60.85 -53.72 53.94 Favored 'General case' 0 CA--C 1.52 -0.204 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 179.344 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.0 -27.42 64.68 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.615 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 15' ' ' LEU . . . . . 0.666 ' HB2' ' HA ' ' D' ' 12' ' ' VAL . 1.7 mt -56.59 -60.19 3.91 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.637 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 16' ' ' TYR . . . . . 0.815 ' HB3' ' HE2' ' D' ' 24' ' ' PHE . 0.9 OUTLIER -76.43 -15.7 59.86 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 119.973 -0.691 . . . . 0.0 110.707 -179.233 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 9.0 tt -67.19 -42.82 83.56 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 178.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 54.3 t -67.38 -36.45 76.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.428 -0.805 . . . . 0.0 109.498 178.084 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 19' ' ' CYS . . . . . 1.089 ' HB3' ' HB2' ' D' ' 22' ' ' ARG . 76.3 m -73.66 -15.81 61.23 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.687 179.776 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.39 -97.41 0.86 Allowed Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.984 -0.627 . . . . 0.0 111.771 -179.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -107.52 1.33 23.32 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.93 0.395 . . . . 0.0 110.389 178.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 22' ' ' ARG . . . . . 1.089 ' HB2' ' HB3' ' D' ' 19' ' ' CYS . 74.5 mtt180 -77.11 165.1 25.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.232 178.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 23' ' ' GLY . . . . . 0.499 ' HA3' HG22 ' B' ' 27' ' ' THR . . . -110.09 -162.02 18.75 Favored Glycine 0 N--CA 1.442 -0.935 0 N-CA-C 110.35 -1.1 . . . . 0.0 110.35 177.343 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 24' ' ' PHE . . . . . 0.815 ' HE2' ' HB3' ' D' ' 16' ' ' TYR . 5.2 p90 -172.77 169.91 4.79 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 117.28 0.54 . . . . 0.0 111.567 179.34 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 25' ' ' PHE . . . . . . . . . . . . . 7.4 p90 -114.49 110.55 20.0 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 177.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 26' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -109.65 119.69 40.17 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.919 -178.059 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 27' ' ' THR . . . . . 0.46 HG22 ' HA3' ' B' ' 23' ' ' GLY . 2.9 p -124.67 96.91 39.97 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-O 121.193 0.52 . . . . 0.0 110.343 179.622 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 28' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -84.43 41.16 0.95 Allowed 'Trans proline' 0 C--O 1.237 0.451 0 C-N-CA 123.393 2.728 . . . . 0.0 113.502 -178.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -87.48 136.79 32.8 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.826 0.346 . . . . 0.0 110.449 179.471 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 28.6 m . . . . . 0 C--O 1.252 1.199 0 CA-C-O 118.199 -0.905 . . . . 0.0 109.603 179.529 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.585 0 N-CA-C 111.959 -0.456 . . . . 0.0 111.959 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' E' E ' 2' ' ' ILE . . . . . . . . . . . . . 6.2 tt -142.81 -36.06 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.912 0.387 . . . . 0.0 110.992 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 27.3 m -61.83 -37.57 78.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -179.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 4' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -82.46 -3.01 55.02 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.126 0.488 . . . . 0.0 111.552 -179.085 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 5' ' ' GLN . . . . . 0.421 ' HG2' ' SG ' ' E' ' 11' ' ' CYS . 37.9 tt0 -107.95 -39.2 5.6 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.335 0.588 . . . . 0.0 110.87 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' E' E ' 6' ' ' CYS . . . . . . . . . . . . . 75.2 m -91.22 -34.17 15.09 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 112.335 0.494 . . . . 0.0 112.335 -178.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 7' ' ' CYS . . . . . 0.618 ' HB2' HD11 ' F' ' 11' ' ' LEU . 14.1 t -91.29 26.59 2.17 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.081 0.467 . . . . 0.0 111.091 -179.409 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 7.1 p -127.13 -64.82 0.98 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.713 179.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 9' ' ' SER . . . . . . . . . . . . . 41.9 m -125.08 14.04 8.42 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.015 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 10' ' ' ILE . . . . . . . . . . . . . 2.2 mp 69.33 141.48 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 CA-C-O 121.595 0.712 . . . . 0.0 111.037 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 11' ' ' CYS . . . . . 0.421 ' SG ' ' HG2' ' E' ' 5' ' ' GLN . 93.6 m -95.03 146.98 23.89 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.896 -179.033 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' E' E ' 12' ' ' SER . . . . . 0.407 ' HB3' ' HG3' ' E' ' 15' ' ' GLN . 26.7 t -74.7 162.79 28.39 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.482 178.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 9.8 tt -57.3 -43.83 83.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.995 0.426 . . . . 0.0 110.724 179.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -67.01 -32.9 74.43 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.042 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 15' ' ' GLN . . . . . 0.565 ' HA ' ' ND2' ' E' ' 18' ' ' ASN . 86.8 mt-30 -70.24 -40.7 74.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.054 0.454 . . . . 0.0 109.932 179.045 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' E' E ' 16' ' ' LEU . . . . . . . . . . . . . 95.0 mt -62.95 -37.47 87.21 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.774 179.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 17' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -66.82 -20.48 65.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.396 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 18' ' ' ASN . . . . . 0.565 ' ND2' ' HA ' ' E' ' 15' ' ' GLN . 84.1 m-20 -66.85 -30.8 71.06 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.298 0.571 . . . . 0.0 109.779 178.472 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' E' E ' 19' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -94.44 -9.66 34.88 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.668 179.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 20' ' ' CYS . . . . . 0.614 ' HA ' ' HB3' ' F' ' 24' ' ' PHE . 24.2 t -78.4 161.06 27.42 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.675 -179.718 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' E' E ' 21' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.247 0.952 0 CA-C-O 118.503 -0.761 . . . . 0.0 110.41 -179.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 1' ' ' PHE . . . . . . . . . . . . . 38.1 t80 . . . . . 0 N--CA 1.477 0.899 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' F' F ' 2' ' ' VAL . . . . . 0.742 HG22 ' H ' ' F' ' 3' ' ' ASN . 4.3 p -73.95 -176.34 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 109.865 -0.421 . . . . 0.0 109.865 179.747 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' F' F ' 3' ' ' ASN . . . . . 0.742 ' H ' HG22 ' F' ' 2' ' ' VAL . 27.1 t-20 74.05 -73.76 0.09 Allowed 'General case' 0 C--O 1.212 -0.868 0 C-N-CA 122.882 0.473 . . . . 0.0 109.728 -179.708 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' F' F ' 4' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -57.45 -45.83 84.28 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.573 0.225 . . . . 0.0 111.259 179.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 5' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -69.11 -8.8 48.74 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -179.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 6' ' ' LEU . . . . . . . . . . . . . 30.4 mt -113.18 -31.14 6.72 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.698 0.761 . . . . 0.0 110.012 179.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 7' ' ' CYS . . . . . 0.475 ' HB3' ' O ' ' F' ' 3' ' ' ASN . 0.0 OUTLIER -75.09 -41.56 58.45 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.746 -1.116 . . . . 0.0 110.62 -179.509 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' F' F ' 8' ' ' GLY . . . . . 0.546 ' HA2' ' HG ' ' F' ' 11' ' ' LEU . . . -60.37 -26.58 64.33 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.996 -0.621 . . . . 0.0 111.957 179.041 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' F' F ' 9' ' ' SER . . . . . 0.497 ' O ' ' HG2' ' H' ' 13' ' ' GLU . 9.3 m -64.72 -19.21 65.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.059 0.457 . . . . 0.0 111.042 179.566 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' F' F ' 10' ' ' HIS . . . . . 0.505 ' HA ' ' HG3' ' F' ' 13' ' ' GLU . 99.0 m-70 -108.36 -15.55 14.44 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.443 -179.144 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' F' F ' 11' ' ' LEU . . . . . 0.618 HD11 ' HB2' ' E' ' 7' ' ' CYS . 36.1 mt -67.86 -34.42 76.67 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 177.601 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' F' F ' 12' ' ' VAL . . . . . 0.66 ' HA ' ' HB2' ' F' ' 15' ' ' LEU . 1.9 m -67.82 -28.47 41.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-N 115.046 -0.979 . . . . 0.0 112.296 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' F' F ' 13' ' ' GLU . . . . . 0.505 ' HG3' ' HA ' ' F' ' 10' ' ' HIS . 25.7 mt-10 -61.24 -53.45 56.67 Favored 'General case' 0 CA--C 1.519 -0.236 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 179.382 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' F' F ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.13 -27.38 64.52 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.635 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 15' ' ' LEU . . . . . 0.66 ' HB2' ' HA ' ' F' ' 12' ' ' VAL . 1.6 mt -57.0 -60.3 3.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.455 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' F' F ' 16' ' ' TYR . . . . . 0.829 ' HB3' ' HE2' ' F' ' 24' ' ' PHE . 0.8 OUTLIER -76.43 -15.51 59.91 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 119.845 -0.742 . . . . 0.0 110.68 -179.337 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 9.0 tt -67.19 -42.05 84.86 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 178.109 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 53.7 t -68.14 -37.19 77.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.362 178.256 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 19' ' ' CYS . . . . . 1.14 ' HB3' ' HB2' ' F' ' 22' ' ' ARG . 74.1 m -72.7 -16.58 61.67 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.395 -0.821 . . . . 0.0 111.785 179.696 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' F' F ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.6 -95.28 0.88 Allowed Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.975 -0.631 . . . . 0.0 111.802 -179.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 21' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -110.01 2.39 19.6 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.903 0.382 . . . . 0.0 110.226 178.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 22' ' ' ARG . . . . . 1.14 ' HB2' ' HB3' ' F' ' 19' ' ' CYS . 75.6 mtt180 -77.9 164.59 25.01 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.083 178.697 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' F' F ' 23' ' ' GLY . . . . . 0.469 ' HA3' HG22 ' H' ' 27' ' ' THR . . . -110.09 -162.13 18.8 Favored Glycine 0 N--CA 1.441 -0.976 0 N-CA-C 110.192 -1.163 . . . . 0.0 110.192 177.551 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' F' F ' 24' ' ' PHE . . . . . 0.829 ' HE2' ' HB3' ' F' ' 16' ' ' TYR . 5.3 p90 -172.3 170.39 5.09 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 117.517 0.659 . . . . 0.0 111.549 179.425 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' F' F ' 25' ' ' PHE . . . . . . . . . . . . . 7.6 p90 -114.98 110.28 19.38 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 177.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 26' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -109.58 119.32 39.04 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.974 -177.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 27' ' ' THR . . . . . 0.477 HG22 ' HA3' ' H' ' 23' ' ' GLY . 3.1 p -124.21 96.65 41.6 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-O 121.114 0.483 . . . . 0.0 110.527 179.574 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' F' F ' 28' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -84.36 45.16 1.66 Allowed 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 123.406 2.737 . . . . 0.0 113.13 -179.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 29' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -91.56 134.69 34.45 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.86 0.362 . . . . 0.0 110.475 179.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 30' ' ' THR . . . . . . . . . . . . . 23.2 m . . . . . 0 C--O 1.25 1.128 0 CA-C-O 117.964 -1.017 . . . . 0.0 109.275 179.684 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' G' G ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.037 0 N-CA-C 112.016 -0.434 . . . . 0.0 112.016 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' G' G ' 2' ' ' ILE . . . . . . . . . . . . . 6.7 tt -138.51 -36.62 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 O-C-N 122.77 -0.253 . . . . 0.0 111.163 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 25.4 m -60.77 -38.43 78.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -179.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' G' G ' 4' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -82.04 -1.99 50.27 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.944 0.402 . . . . 0.0 111.55 -179.218 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' G' G ' 5' ' ' GLN . . . . . 0.419 ' HG2' ' SG ' ' G' ' 11' ' ' CYS . 37.4 tt0 -108.82 -40.11 5.14 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 120.986 0.422 . . . . 0.0 110.663 179.564 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' G' G ' 6' ' ' CYS . . . . . . . . . . . . . 75.7 m -90.18 -33.98 16.0 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -178.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' G' G ' 7' ' ' CYS . . . . . 0.642 ' HB2' HD11 ' H' ' 11' ' ' LEU . 14.2 t -91.38 26.0 2.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.139 0.495 . . . . 0.0 111.472 -179.408 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' G' G ' 8' ' ' THR . . . . . . . . . . . . . 6.6 p -126.42 -63.96 1.06 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.969 0.414 . . . . 0.0 110.65 179.114 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' G' G ' 9' ' ' SER . . . . . . . . . . . . . 42.7 m -125.89 14.02 7.96 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.356 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' G' G ' 10' ' ' ILE . . . . . . . . . . . . . 2.2 mp 69.36 140.53 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 CA-C-O 121.697 0.761 . . . . 0.0 110.991 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' G' G ' 11' ' ' CYS . . . . . 0.419 ' SG ' ' HG2' ' G' ' 5' ' ' GLN . 94.6 m -94.56 146.85 23.83 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.831 -179.032 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' G' G ' 12' ' ' SER . . . . . . . . . . . . . 30.3 t -75.39 161.45 29.23 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.47 -0.787 . . . . 0.0 109.461 178.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' G' G ' 13' ' ' LEU . . . . . . . . . . . . . 10.0 tt -55.85 -43.97 77.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.949 0.404 . . . . 0.0 110.697 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -67.31 -32.19 72.99 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.074 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' G' G ' 15' ' ' GLN . . . . . 0.526 ' HA ' ' ND2' ' G' ' 18' ' ' ASN . 86.3 mt-30 -71.06 -39.5 72.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.895 0.379 . . . . 0.0 110.094 178.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' G' G ' 16' ' ' LEU . . . . . . . . . . . . . 94.3 mt -63.97 -38.08 89.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.676 179.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' G' G ' 17' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -65.83 -21.45 66.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.415 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' G' G ' 18' ' ' ASN . . . . . 0.526 ' ND2' ' HA ' ' G' ' 15' ' ' GLN . 83.9 m-20 -66.2 -31.99 73.15 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.339 0.59 . . . . 0.0 109.781 178.527 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' G' G ' 19' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -93.03 -10.6 35.62 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.782 179.346 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' G' G ' 20' ' ' CYS . . . . . 0.597 ' HA ' ' HB3' ' H' ' 24' ' ' PHE . 23.0 t -77.07 162.65 27.33 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.208 -0.906 . . . . 0.0 110.667 -179.803 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' G' G ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.245 0.834 0 CA-C-O 118.577 -0.725 . . . . 0.0 110.263 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' H' H ' 1' ' ' PHE . . . . . . . . . . . . . 42.5 t80 . . . . . 0 N--CA 1.479 1.009 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' H' H ' 2' ' ' VAL . . . . . 0.759 HG22 ' H ' ' H' ' 3' ' ' ASN . 4.6 p -72.68 -176.91 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 179.628 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' H' H ' 3' ' ' ASN . . . . . 0.759 ' H ' HG22 ' H' ' 2' ' ' VAL . 27.5 t-20 74.59 -73.57 0.09 Allowed 'General case' 0 C--O 1.213 -0.84 0 C-N-CA 123.055 0.542 . . . . 0.0 109.561 -179.553 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' H' H ' 4' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -58.14 -44.46 87.85 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.76 0.314 . . . . 0.0 111.545 179.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' H' H ' 5' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -70.13 -8.99 54.13 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -179.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' H' H ' 6' ' ' LEU . . . . . . . . . . . . . 30.0 mt -113.06 -31.7 6.58 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.67 0.747 . . . . 0.0 110.011 179.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' H' H ' 7' ' ' CYS . . . . . 0.485 ' HB3' ' O ' ' H' ' 3' ' ' ASN . 0.0 OUTLIER -74.16 -41.9 60.76 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 114.889 -1.051 . . . . 0.0 110.621 -179.528 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' H' H ' 8' ' ' GLY . . . . . 0.562 ' HA2' ' HG ' ' H' ' 11' ' ' LEU . . . -60.22 -27.17 64.83 Favored Glycine 0 C--N 1.333 0.372 0 C-N-CA 121.06 -0.591 . . . . 0.0 111.939 179.329 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' H' H ' 9' ' ' SER . . . . . 0.493 ' O ' ' HG2' ' F' ' 13' ' ' GLU . 8.9 m -64.19 -19.0 65.03 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.113 0.482 . . . . 0.0 110.897 179.592 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' H' H ' 10' ' ' HIS . . . . . 0.506 ' HA ' ' HG3' ' H' ' 13' ' ' GLU . 98.7 m-70 -108.51 -15.08 14.52 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.49 -179.232 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' H' H ' 11' ' ' LEU . . . . . 0.642 HD11 ' HB2' ' G' ' 7' ' ' CYS . 36.3 mt -68.45 -34.31 75.73 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 177.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' H' H ' 12' ' ' VAL . . . . . 0.65 ' HA ' ' HB2' ' H' ' 15' ' ' LEU . 2.2 m -67.51 -29.18 44.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 114.92 -1.037 . . . . 0.0 112.169 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' H' H ' 13' ' ' GLU . . . . . 0.506 ' HG3' ' HA ' ' H' ' 10' ' ' HIS . 25.8 mt-10 -60.62 -53.98 50.92 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-O 121.392 0.615 . . . . 0.0 109.486 179.33 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' H' H ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.83 -27.64 65.03 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.21 -0.904 . . . . 0.0 110.662 179.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' H' H ' 15' ' ' LEU . . . . . 0.65 ' HB2' ' HA ' ' H' ' 12' ' ' VAL . 1.7 mt -56.62 -60.11 4.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.753 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' H' H ' 16' ' ' TYR . . . . . 0.83 ' HB3' ' HE2' ' H' ' 24' ' ' PHE . 0.9 OUTLIER -76.46 -15.8 59.82 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 119.914 -0.715 . . . . 0.0 110.538 -179.347 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 9.0 tt -66.56 -43.62 84.52 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 177.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 54.8 t -66.65 -38.1 80.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.468 178.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' H' H ' 19' ' ' CYS . . . . . 1.034 ' HB3' ' HB2' ' H' ' 22' ' ' ARG . 74.7 m -71.68 -16.68 62.26 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.756 179.568 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' H' H ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.09 -97.38 0.93 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 121.053 -0.594 . . . . 0.0 111.626 -179.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' H' H ' 21' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -108.24 3.76 23.96 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.846 0.355 . . . . 0.0 110.447 178.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' H' H ' 22' ' ' ARG . . . . . 1.034 ' HB2' ' HB3' ' H' ' 19' ' ' CYS . 74.9 mtt180 -79.08 165.47 23.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.037 178.661 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' H' H ' 23' ' ' GLY . . . . . 0.477 ' HA3' HG22 ' F' ' 27' ' ' THR . . . -110.67 -162.27 18.18 Favored Glycine 0 N--CA 1.444 -0.807 0 N-CA-C 110.338 -1.105 . . . . 0.0 110.338 177.349 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' H' H ' 24' ' ' PHE . . . . . 0.83 ' HE2' ' HB3' ' H' ' 16' ' ' TYR . 5.1 p90 -172.42 170.34 4.99 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 117.562 0.681 . . . . 0.0 111.567 179.395 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' H' H ' 25' ' ' PHE . . . . . . . . . . . . . 6.9 p90 -114.88 110.6 19.91 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 177.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' H' H ' 26' ' ' TYR . . . . . . . . . . . . . 81.9 t80 -109.88 118.72 37.22 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.061 -177.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' H' H ' 27' ' ' THR . . . . . 0.469 HG22 ' HA3' ' F' ' 23' ' ' GLY . 3.4 p -123.14 96.49 44.5 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-O 121.058 0.456 . . . . 0.0 110.422 179.465 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' H' H ' 28' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -84.24 44.36 1.52 Allowed 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 123.273 2.648 . . . . 0.0 113.208 -179.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' H' H ' 29' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -90.79 135.86 33.44 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.879 0.371 . . . . 0.0 110.3 179.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' H' H ' 30' ' ' THR . . . . . . . . . . . . . 25.9 m . . . . . 0 C--O 1.249 1.035 0 CA-C-O 117.97 -1.014 . . . . 0.0 109.136 179.586 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' I' I ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.766 0 N-CA-C 111.485 -0.646 . . . . 0.0 111.485 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' I' I ' 2' ' ' ILE . . . . . . . . . . . . . 6.5 tt -139.88 -35.94 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.627 0.251 . . . . 0.0 111.073 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' I' I ' 3' ' ' VAL . . . . . . . . . . . . . 23.0 m -61.3 -39.08 81.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -179.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' I' I ' 4' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -81.06 -3.06 50.61 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.156 0.503 . . . . 0.0 111.687 -179.047 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' I' I ' 5' ' ' GLN . . . . . 0.406 ' HG2' ' SG ' ' I' ' 11' ' ' CYS . 37.9 tt0 -107.83 -40.04 5.38 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.22 0.533 . . . . 0.0 110.715 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' I' I ' 6' ' ' CYS . . . . . . . . . . . . . 74.6 m -90.29 -34.24 15.82 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -178.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' I' I ' 7' ' ' CYS . . . . . 0.615 ' HB2' HD11 ' J' ' 11' ' ' LEU . 13.7 t -91.21 26.51 2.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.192 0.52 . . . . 0.0 111.224 -179.36 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' I' I ' 8' ' ' THR . . . . . . . . . . . . . 9.7 p -126.99 -64.31 1.01 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.928 0.394 . . . . 0.0 110.594 179.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' I' I ' 9' ' ' SER . . . . . . . . . . . . . 49.8 m -125.41 13.2 8.19 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.379 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' I' I ' 10' ' ' ILE . . . . . . . . . . . . . 2.2 mp 70.18 140.62 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-O 121.662 0.744 . . . . 0.0 111.042 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' I' I ' 11' ' ' CYS . . . . . 0.406 ' SG ' ' HG2' ' I' ' 5' ' ' GLN . 87.1 m -94.51 146.07 24.35 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.926 -178.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' I' I ' 12' ' ' SER . . . . . . . . . . . . . 35.9 t -74.76 162.23 28.88 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.52 178.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' I' I ' 13' ' ' LEU . . . . . . . . . . . . . 9.8 tt -55.85 -44.49 78.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.875 0.369 . . . . 0.0 110.746 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -67.05 -31.47 72.0 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.352 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' I' I ' 15' ' ' GLN . . . . . 0.535 ' HA ' ' ND2' ' I' ' 18' ' ' ASN . 86.3 mt-30 -71.79 -39.95 69.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.002 0.429 . . . . 0.0 109.915 178.747 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' I' I ' 16' ' ' LEU . . . . . . . . . . . . . 94.7 mt -63.31 -38.34 90.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.678 179.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' I' I ' 17' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -65.83 -20.12 66.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.492 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' I' I ' 18' ' ' ASN . . . . . 0.535 ' ND2' ' HA ' ' I' ' 15' ' ' GLN . 84.9 m-20 -66.99 -32.53 73.83 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 121.284 0.564 . . . . 0.0 109.524 178.568 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' I' I ' 19' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -92.85 -10.25 37.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.82 179.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' I' I ' 20' ' ' CYS . . . . . 0.609 ' HA ' ' HB3' ' J' ' 24' ' ' PHE . 24.7 t -77.31 162.87 26.97 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.164 -0.926 . . . . 0.0 110.5 -179.633 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' I' I ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.615 -0.707 . . . . 0.0 110.466 -179.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' J' J ' 1' ' ' PHE . . . . . . . . . . . . . 39.3 t80 . . . . . 0 N--CA 1.479 1.014 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' J' J ' 2' ' ' VAL . . . . . 0.757 HG22 ' H ' ' J' ' 3' ' ' ASN . 4.3 p -73.0 -176.56 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 179.631 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' J' J ' 3' ' ' ASN . . . . . 0.757 ' H ' HG22 ' J' ' 2' ' ' VAL . 24.5 t-20 73.86 -73.41 0.1 Allowed 'General case' 0 C--O 1.212 -0.89 0 C-N-CA 123.053 0.541 . . . . 0.0 109.729 -179.615 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' J' J ' 4' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -57.93 -44.84 87.13 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.697 0.284 . . . . 0.0 111.49 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' J' J ' 5' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -69.88 -8.87 52.18 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.895 -179.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' J' J ' 6' ' ' LEU . . . . . . . . . . . . . 30.0 mt -113.43 -30.59 6.83 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.772 0.796 . . . . 0.0 110.029 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' J' J ' 7' ' ' CYS . . . . . 0.49 ' HB3' ' O ' ' J' ' 3' ' ' ASN . 0.0 OUTLIER -75.57 -41.24 55.22 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 114.776 -1.102 . . . . 0.0 110.655 -179.439 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' J' J ' 8' ' ' GLY . . . . . 0.588 ' HA2' ' HG ' ' J' ' 11' ' ' LEU . . . -61.07 -26.09 65.25 Favored Glycine 0 C--N 1.331 0.282 0 C-N-CA 121.055 -0.593 . . . . 0.0 111.885 179.202 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' J' J ' 9' ' ' SER . . . . . 0.511 ' O ' ' HG2' ' L' ' 13' ' ' GLU . 9.1 m -64.96 -18.94 65.7 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.072 0.463 . . . . 0.0 110.884 179.539 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' J' J ' 10' ' ' HIS . . . . . 0.492 ' HA ' ' HG3' ' J' ' 13' ' ' GLU . 99.0 m-70 -108.6 -15.21 14.48 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 120.844 -0.342 . . . . 0.0 111.513 -179.271 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' J' J ' 11' ' ' LEU . . . . . 0.615 HD11 ' HB2' ' I' ' 7' ' ' CYS . 37.8 mt -68.33 -34.01 75.33 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 177.83 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' J' J ' 12' ' ' VAL . . . . . 0.648 ' HA ' ' HB2' ' J' ' 15' ' ' LEU . 2.0 m -68.01 -28.68 42.07 Favored 'Isoleucine or valine' 0 C--O 1.232 0.147 0 CA-C-N 115.031 -0.986 . . . . 0.0 112.129 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' J' J ' 13' ' ' GLU . . . . . 0.498 ' HG2' ' O ' ' L' ' 9' ' ' SER . 26.0 mt-10 -61.0 -53.52 56.25 Favored 'General case' 0 CA--C 1.517 -0.323 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 179.342 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' J' J ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.35 -27.11 64.09 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.62 179.436 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' J' J ' 15' ' ' LEU . . . . . 0.648 ' HB2' ' HA ' ' J' ' 12' ' ' VAL . 1.7 mt -57.0 -60.46 3.55 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.598 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' J' J ' 16' ' ' TYR . . . . . 0.79 ' HB3' ' HE2' ' J' ' 24' ' ' PHE . 0.9 OUTLIER -76.26 -15.38 60.02 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 119.78 -0.768 . . . . 0.0 110.651 -179.275 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 9.1 tt -67.37 -41.92 84.26 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 178.075 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 53.2 t -68.57 -36.17 73.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.264 178.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' J' J ' 19' ' ' CYS . . . . . 1.102 ' HB3' ' HB2' ' J' ' 22' ' ' ARG . 75.9 m -74.07 -14.85 61.06 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.76 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' J' J ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.84 -95.48 0.72 Allowed Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 121.038 -0.601 . . . . 0.0 111.685 -179.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' J' J ' 21' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -109.34 1.76 20.27 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.856 0.36 . . . . 0.0 110.276 178.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' J' J ' 22' ' ' ARG . . . . . 1.102 ' HB2' ' HB3' ' J' ' 19' ' ' CYS . 73.2 mtt180 -77.51 164.61 25.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.225 178.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' J' J ' 23' ' ' GLY . . . . . 0.502 ' HA3' HG22 ' L' ' 27' ' ' THR . . . -109.68 -162.24 19.31 Favored Glycine 0 N--CA 1.442 -0.943 0 N-CA-C 110.251 -1.14 . . . . 0.0 110.251 177.485 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' J' J ' 24' ' ' PHE . . . . . 0.79 ' HE2' ' HB3' ' J' ' 16' ' ' TYR . 5.2 p90 -172.42 170.15 5.05 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 117.428 0.614 . . . . 0.0 111.441 179.271 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' J' J ' 25' ' ' PHE . . . . . . . . . . . . . 7.5 p90 -115.08 109.67 18.4 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 177.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' J' J ' 26' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -108.85 118.74 37.59 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.017 -177.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' J' J ' 27' ' ' THR . . . . . 0.499 HG22 ' HA3' ' L' ' 23' ' ' GLY . 2.5 p -123.54 97.4 42.2 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-O 121.114 0.483 . . . . 0.0 110.293 179.415 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' J' J ' 28' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -85.22 43.43 1.25 Allowed 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 123.191 2.594 . . . . 0.0 113.377 -178.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' J' J ' 29' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -89.85 135.91 33.36 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.956 0.408 . . . . 0.0 110.31 179.586 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' J' J ' 30' ' ' THR . . . . . . . . . . . . . 31.5 m . . . . . 0 C--O 1.251 1.16 0 CA-C-O 118.567 -0.73 . . . . 0.0 109.927 179.784 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.822 0 N-CA-C 111.721 -0.552 . . . . 0.0 111.721 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' K' K ' 2' ' ' ILE . . . . . . . . . . . . . 7.3 tt -140.45 -36.27 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.812 0.339 . . . . 0.0 111.311 -179.161 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' K' K ' 3' ' ' VAL . . . . . . . . . . . . . 23.8 m -61.4 -39.09 81.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 112.559 0.578 . . . . 0.0 112.559 -179.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' K' K ' 4' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -81.95 -0.78 45.53 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.025 0.44 . . . . 0.0 111.527 -179.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' K' K ' 5' ' ' GLN . . . . . 0.423 ' HG2' ' SG ' ' K' ' 11' ' ' CYS . 37.8 tt0 -109.69 -39.57 5.08 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 121.171 0.51 . . . . 0.0 110.383 179.782 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' K' K ' 6' ' ' CYS . . . . . . . . . . . . . 72.8 m -90.65 -34.43 15.44 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.355 -178.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' K' K ' 7' ' ' CYS . . . . . 0.617 ' HB2' HD11 ' L' ' 11' ' ' LEU . 13.3 t -91.07 26.75 2.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.183 0.516 . . . . 0.0 111.226 -179.462 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' K' K ' 8' ' ' THR . . . . . . . . . . . . . 6.8 p -126.9 -63.9 1.04 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.715 179.264 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' K' K ' 9' ' ' SER . . . . . . . . . . . . . 51.0 m -126.89 14.98 7.44 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.259 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' K' K ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 mp 68.85 141.0 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 CA-C-O 121.715 0.769 . . . . 0.0 111.13 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' K' K ' 11' ' ' CYS . . . . . 0.423 ' SG ' ' HG2' ' K' ' 5' ' ' GLN . 88.3 m -95.11 146.67 24.13 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.807 -178.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' K' K ' 12' ' ' SER . . . . . . . . . . . . . 45.1 t -75.35 163.46 27.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.628 178.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' K' K ' 13' ' ' LEU . . . . . . . . . . . . . 9.6 tt -56.88 -44.45 82.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.928 0.394 . . . . 0.0 110.67 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -67.33 -31.18 71.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.255 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' K' K ' 15' ' ' GLN . . . . . 0.531 ' HA ' ' ND2' ' K' ' 18' ' ' ASN . 86.4 mt-30 -71.65 -40.51 69.64 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 178.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' K' K ' 16' ' ' LEU . . . . . . . . . . . . . 94.5 mt -63.21 -37.63 87.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.841 179.405 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' K' K ' 17' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -66.41 -21.03 66.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.139 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' K' K ' 18' ' ' ASN . . . . . 0.531 ' ND2' ' HA ' ' K' ' 15' ' ' GLN . 85.7 m-20 -66.3 -32.38 73.75 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 178.613 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' K' K ' 19' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -92.88 -10.84 35.17 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.738 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' K' K ' 20' ' ' CYS . . . . . 0.604 ' HA ' ' HB3' ' L' ' 24' ' ' PHE . 25.2 t -77.36 161.34 28.11 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.517 -179.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' K' K ' 21' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.246 0.918 0 CA-C-O 118.634 -0.698 . . . . 0.0 110.57 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' L' L ' 1' ' ' PHE . . . . . . . . . . . . . 37.5 t80 . . . . . 0 N--CA 1.48 1.032 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' L' L ' 2' ' ' VAL . . . . . 0.769 HG22 ' H ' ' L' ' 3' ' ' ASN . 4.5 p -73.95 -176.28 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 179.52 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' L' L ' 3' ' ' ASN . . . . . 0.769 ' H ' HG22 ' L' ' 2' ' ' VAL . 24.3 t-20 74.05 -73.29 0.1 Allowed 'General case' 0 C--O 1.213 -0.838 0 C-N-CA 123.108 0.563 . . . . 0.0 109.897 -179.672 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' L' L ' 4' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -58.06 -44.59 87.58 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.847 0.356 . . . . 0.0 111.509 179.457 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' L' L ' 5' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -70.43 -8.8 53.72 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.749 -179.294 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' L' L ' 6' ' ' LEU . . . . . . . . . . . . . 29.7 mt -113.24 -30.32 6.97 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.664 0.745 . . . . 0.0 110.15 179.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' L' L ' 7' ' ' CYS . . . . . 0.491 ' HB3' ' O ' ' L' ' 3' ' ' ASN . 0.0 OUTLIER -75.64 -41.87 52.97 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.857 -1.065 . . . . 0.0 110.617 -179.389 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' L' L ' 8' ' ' GLY . . . . . 0.566 ' HA2' ' HG ' ' L' ' 11' ' ' LEU . . . -60.17 -27.14 64.65 Favored Glycine 0 C--N 1.331 0.299 0 C-N-CA 121.115 -0.564 . . . . 0.0 112.01 179.197 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' L' L ' 9' ' ' SER . . . . . 0.498 ' O ' ' HG2' ' J' ' 13' ' ' GLU . 7.5 m -64.07 -19.21 65.07 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.09 0.471 . . . . 0.0 110.932 179.413 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' L' L ' 10' ' ' HIS . . . . . 0.489 ' HA ' ' HG3' ' L' ' 13' ' ' GLU . 98.7 m-70 -108.35 -15.35 14.49 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.484 -179.195 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' L' L ' 11' ' ' LEU . . . . . 0.617 HD11 ' HB2' ' K' ' 7' ' ' CYS . 38.4 mt -68.32 -34.13 75.57 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 177.76 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' L' L ' 12' ' ' VAL . . . . . 0.648 ' HA ' ' HB2' ' L' ' 15' ' ' LEU . 2.1 m -68.12 -28.69 41.91 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-N 115.06 -0.973 . . . . 0.0 112.214 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' L' L ' 13' ' ' GLU . . . . . 0.511 ' HG2' ' O ' ' J' ' 9' ' ' SER . 25.9 mt-10 -60.7 -53.69 54.35 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.283 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' L' L ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.13 -27.25 64.42 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.743 179.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' L' L ' 15' ' ' LEU . . . . . 0.648 ' HB2' ' HA ' ' L' ' 12' ' ' VAL . 1.7 mt -56.99 -60.62 3.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.496 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' L' L ' 16' ' ' TYR . . . . . 0.8 ' HB3' ' HE2' ' L' ' 24' ' ' PHE . 0.8 OUTLIER -75.91 -15.5 60.18 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 120.0 -0.68 . . . . 0.0 110.717 -179.289 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 9.1 tt -67.1 -43.32 82.81 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 178.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 53.6 t -66.75 -37.78 80.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.495 178.145 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' L' L ' 19' ' ' CYS . . . . . 1.122 ' HB3' ' HB2' ' L' ' 22' ' ' ARG . 74.2 m -71.74 -17.65 62.18 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.662 179.528 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' L' L ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.31 -95.44 0.96 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 121.014 -0.612 . . . . 0.0 111.606 -179.357 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' L' L ' 21' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -110.32 3.56 19.97 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-O 120.952 0.406 . . . . 0.0 110.319 178.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' L' L ' 22' ' ' ARG . . . . . 1.122 ' HB2' ' HB3' ' L' ' 19' ' ' CYS . 73.0 mtt180 -79.52 163.9 24.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.938 -0.573 . . . . 0.0 109.898 178.675 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' L' L ' 23' ' ' GLY . . . . . 0.499 ' HA3' HG22 ' J' ' 27' ' ' THR . . . -109.14 -162.4 19.96 Favored Glycine 0 N--CA 1.442 -0.915 0 N-CA-C 110.548 -1.021 . . . . 0.0 110.548 177.466 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' L' L ' 24' ' ' PHE . . . . . 0.8 ' HE2' ' HB3' ' L' ' 16' ' ' TYR . 5.3 p90 -171.87 170.75 5.36 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 117.477 0.638 . . . . 0.0 111.424 179.423 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' L' L ' 25' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -115.25 110.6 19.69 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 177.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' L' L ' 26' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -109.8 118.79 37.43 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.063 -177.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' L' L ' 27' ' ' THR . . . . . 0.502 HG22 ' HA3' ' J' ' 23' ' ' GLY . 4.1 p -123.64 97.09 42.39 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-O 121.265 0.555 . . . . 0.0 110.677 179.436 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' L' L ' 28' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -84.92 44.38 1.45 Allowed 'Trans proline' 0 C--O 1.236 0.419 0 C-N-CA 123.31 2.673 . . . . 0.0 113.297 -178.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' L' L ' 29' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm . . . . . 0 C--N 1.323 -0.579 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.075 179.41 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.48 0 N-CA-C 111.651 -0.58 . . . . 0.0 111.651 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.746 HG23 ' H ' ' A' ' 3' ' ' VAL . 14.6 tt 43.18 -78.99 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 C-N-CA 125.006 1.322 . . . . 0.0 114.407 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.746 ' H ' HG23 ' A' ' 2' ' ' ILE . 6.7 t -53.09 -78.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.074 0.464 . . . . 0.0 111.801 -179.471 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -82.84 44.77 0.94 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 122.017 0.913 . . . . 0.0 110.704 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -128.72 -32.81 2.1 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 113.574 -1.648 . . . . 0.0 107.196 178.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.482 ' HA ' ' O ' ' A' ' 9' ' ' SER . 70.1 m -107.9 -22.18 12.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 114.335 -1.302 . . . . 0.0 111.136 -179.617 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 50.5 t -81.41 -36.82 29.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.22 0.533 . . . . 0.0 109.844 179.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.446 ' O ' HG11 ' F' ' 2' ' ' VAL . 3.8 p -82.11 -12.89 57.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.388 179.362 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.482 ' O ' ' HA ' ' A' ' 6' ' ' CYS . 6.0 p -167.37 110.53 0.67 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.161 -0.927 . . . . 0.0 108.946 179.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.597 HD13 ' HA ' ' F' ' 2' ' ' VAL . 1.8 mp -48.07 124.63 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 123.813 0.695 . . . . 0.0 111.938 -178.31 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 84.6 m -87.43 153.92 21.06 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.486 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.7 t -71.83 155.27 40.6 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 178.266 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.8 tt -56.11 -36.13 67.85 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.92 0.391 . . . . 0.0 110.444 -179.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -67.5 -34.08 76.4 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.867 179.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.434 ' HA ' ' ND2' ' A' ' 18' ' ' ASN . 84.4 mt-30 -69.93 -42.03 73.82 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 178.534 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.593 ' HB3' HD23 ' B' ' 15' ' ' LEU . 82.4 mt -67.56 -33.67 75.51 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.944 178.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -62.43 -23.18 66.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.014 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.434 ' ND2' ' HA ' ' A' ' 15' ' ' GLN . 76.9 m-20 -65.42 -20.95 66.59 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.986 0.422 . . . . 0.0 110.759 178.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.474 ' CD1' HD12 ' A' ' 2' ' ' ILE . 32.5 m-85 -106.12 12.33 30.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.413 -179.729 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 48.9 t -95.88 106.18 18.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.208 -179.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.538 ' H ' ' HA ' ' B' ' 24' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--O 1.252 1.199 0 CA-C-O 118.073 -0.965 . . . . 0.0 112.416 179.091 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 5.3 t80 . . . . . 0 N--CA 1.48 1.052 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . 0.644 ' O ' ' HG ' ' B' ' 6' ' ' LEU . 18.0 m -65.98 -48.89 80.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -177.123 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -65.22 -23.87 67.19 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 121.96 -0.462 . . . . 0.0 110.52 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . 0.555 ' HG3' HG11 ' A' ' 3' ' ' VAL . 38.1 tt0 -64.28 -35.87 82.24 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.329 0.585 . . . . 0.0 110.048 178.54 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 68.4 t60 -89.59 -22.15 22.49 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.386 -179.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.644 ' HG ' ' O ' ' B' ' 2' ' ' VAL . 21.8 mt -97.1 -70.82 0.7 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.318 0.58 . . . . 0.0 110.744 -179.6 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 32.3 t -60.89 -35.36 76.45 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.053 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.97 -30.87 64.0 Favored Glycine 0 N--CA 1.45 -0.382 0 CA-C-N 116.076 -0.511 . . . . 0.0 112.95 179.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . 0.439 ' HB3' ' HG2' ' D' ' 13' ' ' GLU . 15.2 m -72.51 -3.01 21.92 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.692 0.282 . . . . 0.0 111.55 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 -117.19 -11.09 10.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.766 0.317 . . . . 0.0 111.098 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.521 HD12 ' HA ' ' A' ' 3' ' ' VAL . 46.0 mt -70.2 -23.48 62.95 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 178.284 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.897 HG21 HG21 ' D' ' 12' ' ' VAL . 3.5 m -64.44 -37.89 81.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 114.803 -1.09 . . . . 0.0 111.042 178.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.48 ' O ' ' HG ' ' B' ' 17' ' ' LEU . 29.2 mt-10 -61.75 -37.83 85.7 Favored 'General case' 0 C--O 1.232 0.156 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 179.741 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . 0.402 ' O ' HG23 ' B' ' 18' ' ' VAL . . . -62.85 -47.05 85.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.051 178.452 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.593 HD23 ' HB3' ' A' ' 16' ' ' LEU . 54.7 mt -64.68 -44.7 89.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.512 0.673 . . . . 0.0 109.997 178.688 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . 0.433 ' HB2' ' O ' ' B' ' 12' ' ' VAL . 0.7 OUTLIER -54.11 -45.56 71.91 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.659 -1.155 . . . . 0.0 111.993 -179.033 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.752 HD12 HD12 ' H' ' 17' ' ' LEU . 75.3 mt -67.87 -33.39 74.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.132 -179.735 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.402 HG23 ' O ' ' B' ' 14' ' ' ALA . 72.3 t -71.11 -44.89 74.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.002 178.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . 0.86 ' HB3' ' HB3' ' B' ' 22' ' ' ARG . 77.7 m -67.69 -52.4 38.33 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.986 -179.49 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . 0.464 ' O ' ' HB2' ' B' ' 21' ' ' GLU . . . 68.29 86.39 0.09 OUTLIER Glycine 0 CA--C 1.517 0.214 0 C-N-CA 120.721 -0.752 . . . . 0.0 111.907 -179.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.464 ' HB2' ' O ' ' B' ' 20' ' ' GLY . 45.2 mt-10 74.99 -26.41 0.19 Allowed 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.533 0.733 . . . . 0.0 111.315 -178.695 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . 0.86 ' HB3' ' HB3' ' B' ' 19' ' ' CYS . 52.5 ttt180 -69.07 126.63 30.4 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 178.575 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . 0.761 ' HA3' ' HA ' ' D' ' 27' ' ' THR . . . -72.84 150.26 44.25 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.179 -1.01 . . . . 0.0 111.868 -179.679 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . 0.538 ' HA ' ' H ' ' A' ' 21' ' ' ASN . 3.9 p90 -123.97 166.09 16.31 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 120.989 0.423 . . . . 0.0 110.447 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . 0.444 ' CZ ' ' HA ' ' A' ' 19' ' ' TYR . 36.4 p90 -114.81 128.97 56.6 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.369 -0.975 . . . . 0.0 108.369 178.533 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -126.6 93.11 3.7 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.663 -178.363 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . 0.778 ' HA ' ' HA3' ' D' ' 23' ' ' GLY . 16.9 m -126.2 106.34 24.81 Favored Pre-proline 0 C--N 1.317 -0.814 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.629 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . 0.452 ' HB3' HG21 ' A' ' 3' ' ' VAL . 6.5 Cg_exo -74.08 45.32 1.13 Allowed 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 123.505 2.803 . . . . 0.0 111.533 179.67 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.481 ' HB2' HG22 ' B' ' 27' ' ' THR . 28.4 tttp -110.99 4.77 19.81 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.161 -178.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 26.8 m . . . . . 0 C--O 1.247 0.937 0 CA-C-O 117.855 -1.069 . . . . 0.0 108.833 179.884 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.28 0 N-CA-C 111.796 -0.522 . . . . 0.0 111.796 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' C' C ' 2' ' ' ILE . . . . . 0.746 HG23 ' H ' ' C' ' 3' ' ' VAL . 14.4 tt 43.33 -79.5 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 125.033 1.333 . . . . 0.0 114.241 -179.679 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 3' ' ' VAL . . . . . 0.746 ' H ' HG23 ' C' ' 2' ' ' ILE . 5.6 t -52.2 -78.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 121.149 0.5 . . . . 0.0 111.839 -179.491 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -83.04 44.3 0.92 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 122.143 0.973 . . . . 0.0 110.662 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -128.71 -31.27 2.22 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 113.696 -1.593 . . . . 0.0 107.347 178.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 6' ' ' CYS . . . . . 0.478 ' HA ' ' O ' ' C' ' 9' ' ' SER . 67.0 m -109.38 -22.06 12.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.33 -1.304 . . . . 0.0 110.99 -179.717 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 7' ' ' CYS . . . . . . . . . . . . . 46.8 t -81.15 -37.43 28.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.256 0.55 . . . . 0.0 109.784 179.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 8' ' ' THR . . . . . 0.452 ' O ' HG11 ' L' ' 2' ' ' VAL . 4.3 p -82.16 -12.33 58.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.55 179.37 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 9' ' ' SER . . . . . 0.478 ' O ' ' HA ' ' C' ' 6' ' ' CYS . 11.9 p -167.2 110.37 0.69 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.071 179.533 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . 0.596 HD13 ' HA ' ' L' ' 2' ' ' VAL . 1.8 mp -48.07 124.61 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 123.55 0.531 . . . . 0.0 111.803 -178.42 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 84.4 m -87.3 153.49 21.43 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.553 179.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 35.7 t -71.07 155.54 40.68 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 178.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 9.8 tt -56.36 -36.37 68.73 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.988 0.423 . . . . 0.0 110.204 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -67.3 -34.33 77.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.831 179.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -69.53 -42.45 74.65 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 178.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 16' ' ' LEU . . . . . 0.586 ' HB3' HD23 ' D' ' 15' ' ' LEU . 83.5 mt -67.49 -33.23 74.68 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.143 179.045 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -62.89 -22.89 67.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.035 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -66.4 -19.51 65.82 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.85 0.357 . . . . 0.0 110.59 179.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 19' ' ' TYR . . . . . 0.458 ' CD1' HD12 ' C' ' 2' ' ' ILE . 32.7 m-85 -107.22 12.4 28.33 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.094 0.473 . . . . 0.0 109.998 -179.731 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 48.7 t -96.3 105.62 17.72 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.1 -179.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 21' ' ' ASN . . . . . 0.538 ' H ' ' HA ' ' D' ' 24' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--O 1.248 1.01 0 CA-C-O 117.945 -1.026 . . . . 0.0 112.45 179.2 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 5.3 t80 . . . . . 0 N--CA 1.477 0.901 0 CA-C-O 120.87 0.367 . . . . 0.0 111.796 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' D' D ' 2' ' ' VAL . . . . . 0.635 ' O ' ' HG ' ' D' ' 6' ' ' LEU . 18.5 m -67.04 -48.91 77.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 -177.315 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 3' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -65.65 -23.29 66.76 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 122.111 -0.368 . . . . 0.0 110.404 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 4' ' ' GLN . . . . . 0.555 ' HG3' HG11 ' C' ' 3' ' ' VAL . 38.1 tt0 -64.43 -35.65 81.59 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.397 0.618 . . . . 0.0 110.053 178.543 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 5' ' ' HIS . . . . . . . . . . . . . 69.0 t60 -90.2 -21.92 21.93 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.442 -179.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 6' ' ' LEU . . . . . 0.635 ' HG ' ' O ' ' D' ' 2' ' ' VAL . 23.2 mt -96.9 -70.49 0.72 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.249 0.547 . . . . 0.0 110.761 -179.62 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 7' ' ' CYS . . . . . . . . . . . . . 28.6 t -61.25 -34.95 75.99 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.316 -0.856 . . . . 0.0 111.175 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 8' ' ' GLY . . . . . . . . . . . . . . . -58.4 -31.27 66.09 Favored Glycine 0 C--N 1.329 0.193 0 CA-C-N 116.14 -0.482 . . . . 0.0 112.811 179.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 9' ' ' SER . . . . . 0.436 ' HB3' ' HG2' ' B' ' 13' ' ' GLU . 15.1 m -71.82 -3.47 22.41 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.754 0.311 . . . . 0.0 111.507 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 10' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 -116.74 -11.16 10.98 Favored 'General case' 0 CA--C 1.517 -0.309 0 O-C-N 122.115 -0.365 . . . . 0.0 111.33 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 11' ' ' LEU . . . . . 0.508 HD12 ' HA ' ' C' ' 3' ' ' VAL . 44.0 mt -70.12 -23.41 63.02 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 178.2 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 12' ' ' VAL . . . . . 0.897 HG21 HG21 ' B' ' 12' ' ' VAL . 3.4 m -64.72 -37.72 80.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 114.781 -1.099 . . . . 0.0 110.959 178.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 13' ' ' GLU . . . . . 0.458 ' O ' ' HG ' ' D' ' 17' ' ' LEU . 29.3 mt-10 -61.76 -38.02 86.45 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 179.749 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 14' ' ' ALA . . . . . 0.413 ' O ' HG23 ' D' ' 18' ' ' VAL . . . -62.8 -46.49 87.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.011 178.477 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 15' ' ' LEU . . . . . 0.586 HD23 ' HB3' ' C' ' 16' ' ' LEU . 55.3 mt -65.16 -44.59 88.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.583 0.706 . . . . 0.0 110.05 178.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 16' ' ' TYR . . . . . 0.446 ' HB2' ' O ' ' D' ' 12' ' ' VAL . 0.8 OUTLIER -53.93 -46.24 71.45 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.515 -1.221 . . . . 0.0 111.84 -179.13 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . 0.726 HD12 HD12 ' J' ' 17' ' ' LEU . 77.2 mt -67.77 -31.66 71.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.234 -179.539 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . 0.413 HG23 ' O ' ' D' ' 14' ' ' ALA . 69.0 t -73.28 -44.49 55.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.375 0.607 . . . . 0.0 109.771 179.188 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 19' ' ' CYS . . . . . 0.879 ' HB3' ' HB3' ' D' ' 22' ' ' ARG . 78.1 m -67.7 -52.44 37.75 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.797 -179.687 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 20' ' ' GLY . . . . . 0.467 ' O ' ' HB2' ' D' ' 21' ' ' GLU . . . 68.15 86.18 0.1 OUTLIER Glycine 0 CA--C 1.518 0.278 0 C-N-CA 120.719 -0.753 . . . . 0.0 111.928 -179.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 21' ' ' GLU . . . . . 0.467 ' HB2' ' O ' ' D' ' 20' ' ' GLY . 44.3 mt-10 75.87 -27.78 0.18 Allowed 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.522 0.729 . . . . 0.0 111.008 -178.631 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 22' ' ' ARG . . . . . 0.879 ' HB3' ' HB3' ' D' ' 19' ' ' CYS . 52.4 ttt180 -68.23 125.78 27.48 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 178.679 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 23' ' ' GLY . . . . . 0.778 ' HA3' ' HA ' ' B' ' 27' ' ' THR . . . -72.03 150.69 46.25 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.144 -1.027 . . . . 0.0 111.791 -179.704 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 24' ' ' PHE . . . . . 0.538 ' HA ' ' H ' ' C' ' 21' ' ' ASN . 3.7 p90 -124.23 166.06 16.53 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 120.959 0.409 . . . . 0.0 110.511 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 25' ' ' PHE . . . . . 0.409 ' CZ ' ' HA ' ' C' ' 19' ' ' TYR . 37.1 p90 -115.06 128.17 56.07 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 178.602 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 26' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -126.12 92.46 3.59 Favored 'General case' 0 C--N 1.319 -0.732 0 C-N-CA 120.257 -0.577 . . . . 0.0 110.724 -178.186 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 27' ' ' THR . . . . . 0.761 ' HA ' ' HA3' ' B' ' 23' ' ' GLY . 23.3 m -125.7 106.39 26.45 Favored Pre-proline 0 C--N 1.32 -0.711 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.613 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 28' ' ' PRO . . . . . 0.467 ' HB3' HG21 ' C' ' 3' ' ' VAL . 6.0 Cg_exo -74.64 48.48 1.91 Allowed 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 123.412 2.741 . . . . 0.0 111.098 179.479 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 29' ' ' LYS . . . . . 0.475 ' HB2' HG22 ' D' ' 27' ' ' THR . 29.0 tttp -113.28 2.55 15.58 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.451 0.643 . . . . 0.0 109.681 -179.067 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 44.9 m . . . . . 0 C--O 1.248 0.982 0 CA-C-O 118.507 -0.759 . . . . 0.0 109.512 179.849 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.21 0 N-CA-C 111.403 -0.679 . . . . 0.0 111.403 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' E' E ' 2' ' ' ILE . . . . . 0.739 HG23 ' H ' ' E' ' 3' ' ' VAL . 14.4 tt 42.58 -78.93 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 N-CA-C 114.617 1.34 . . . . 0.0 114.617 -179.721 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' E' E ' 3' ' ' VAL . . . . . 0.739 ' H ' HG23 ' E' ' 2' ' ' ILE . 5.5 t -52.79 -79.14 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-O 121.133 0.492 . . . . 0.0 111.721 -179.528 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' E' E ' 4' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -82.31 44.84 0.9 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 122.197 0.999 . . . . 0.0 110.819 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -128.98 -32.26 2.08 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 113.649 -1.614 . . . . 0.0 107.162 178.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 6' ' ' CYS . . . . . 0.494 ' HA ' ' O ' ' E' ' 9' ' ' SER . 68.7 m -108.57 -22.24 12.36 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.246 -1.343 . . . . 0.0 111.264 -179.524 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' E' E ' 7' ' ' CYS . . . . . . . . . . . . . 48.3 t -81.01 -37.87 28.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.367 0.603 . . . . 0.0 109.687 179.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 8' ' ' THR . . . . . 0.477 ' O ' HG11 ' J' ' 2' ' ' VAL . 4.0 p -81.03 -13.88 58.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.541 179.258 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' E' E ' 9' ' ' SER . . . . . 0.494 ' O ' ' HA ' ' E' ' 6' ' ' CYS . 12.2 p -166.22 111.02 0.81 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.085 179.423 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' E' E ' 10' ' ' ILE . . . . . 0.564 HD13 ' HA ' ' J' ' 2' ' ' VAL . 1.8 mp -48.15 125.93 2.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 O-C-N 123.729 0.643 . . . . 0.0 111.639 -178.314 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' E' E ' 11' ' ' CYS . . . . . . . . . . . . . 84.8 m -89.14 153.33 21.04 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.396 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 12' ' ' SER . . . . . . . . . . . . . 42.7 t -70.4 154.94 41.34 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.009 -0.738 . . . . 0.0 109.009 178.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 9.9 tt -56.2 -35.58 67.43 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.002 0.429 . . . . 0.0 110.097 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -68.22 -34.62 76.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.902 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 15' ' ' GLN . . . . . 0.401 ' HA ' ' ND2' ' E' ' 18' ' ' ASN . 83.2 mt-30 -69.42 -42.38 75.11 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 178.568 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' E' E ' 16' ' ' LEU . . . . . 0.584 ' HB3' HD23 ' F' ' 15' ' ' LEU . 81.2 mt -67.32 -33.57 75.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.997 178.771 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' E' E ' 17' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -62.43 -22.83 66.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.098 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 18' ' ' ASN . . . . . 0.401 ' ND2' ' HA ' ' E' ' 15' ' ' GLN . 77.5 m-20 -66.59 -19.43 65.77 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.972 0.415 . . . . 0.0 110.691 179.263 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' E' E ' 19' ' ' TYR . . . . . 0.441 ' CD1' HD12 ' E' ' 2' ' ' ILE . 29.8 m-85 -106.66 11.49 30.33 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.103 0.478 . . . . 0.0 110.259 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' E' E ' 20' ' ' CYS . . . . . . . . . . . . . 48.9 t -95.35 106.36 18.41 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.205 -179.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 21' ' ' ASN . . . . . 0.538 ' H ' ' HA ' ' F' ' 24' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--O 1.248 0.978 0 CA-C-O 117.877 -1.058 . . . . 0.0 112.299 179.013 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' F' F ' 1' ' ' PHE . . . . . . . . . . . . . 5.2 t80 . . . . . 0 N--CA 1.48 1.063 0 CA-C-O 120.822 0.344 . . . . 0.0 111.684 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' F' F ' 2' ' ' VAL . . . . . 0.642 ' O ' ' HG ' ' F' ' 6' ' ' LEU . 17.6 m -66.48 -48.55 80.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 113.32 0.859 . . . . 0.0 113.32 -177.441 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' F' F ' 3' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -65.4 -23.23 66.91 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 122.004 -0.435 . . . . 0.0 110.665 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 4' ' ' GLN . . . . . 0.531 ' HG3' HG11 ' E' ' 3' ' ' VAL . 37.9 tt0 -64.62 -36.14 83.28 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.212 0.529 . . . . 0.0 110.208 178.323 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' F' F ' 5' ' ' HIS . . . . . . . . . . . . . 69.9 t60 -89.76 -22.07 22.34 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.326 -179.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 6' ' ' LEU . . . . . 0.642 ' HG ' ' O ' ' F' ' 2' ' ' VAL . 22.9 mt -96.59 -70.96 0.7 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.321 0.581 . . . . 0.0 110.717 -179.733 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' F' F ' 7' ' ' CYS . . . . . . . . . . . . . 29.1 t -60.82 -35.39 76.38 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.13 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.94 -30.87 63.93 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 121.375 -0.441 . . . . 0.0 112.913 179.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 9' ' ' SER . . . . . 0.465 ' HB3' ' HG2' ' H' ' 13' ' ' GLU . 15.3 m -72.18 -3.77 25.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.591 0.234 . . . . 0.0 111.582 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' F' F ' 10' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 -116.33 -11.22 11.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.892 0.377 . . . . 0.0 111.221 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 11' ' ' LEU . . . . . 0.529 HD12 ' HA ' ' E' ' 3' ' ' VAL . 44.6 mt -70.06 -23.39 63.08 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 178.239 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' F' F ' 12' ' ' VAL . . . . . 0.893 HG21 HG21 ' H' ' 12' ' ' VAL . 3.5 m -64.7 -38.0 81.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 114.805 -1.089 . . . . 0.0 111.075 178.705 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' F' F ' 13' ' ' GLU . . . . . 0.457 ' O ' ' HG ' ' F' ' 17' ' ' LEU . 29.2 mt-10 -61.4 -38.16 86.06 Favored 'General case' 0 CA--C 1.52 -0.204 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 179.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' F' F ' 14' ' ' ALA . . . . . 0.41 ' O ' HG23 ' F' ' 18' ' ' VAL . . . -62.86 -46.53 87.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.039 178.591 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' F' F ' 15' ' ' LEU . . . . . 0.584 HD23 ' HB3' ' E' ' 16' ' ' LEU . 56.3 mt -65.08 -44.74 87.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.684 0.754 . . . . 0.0 109.952 178.757 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' F' F ' 16' ' ' TYR . . . . . 0.444 ' HB2' ' O ' ' F' ' 12' ' ' VAL . 0.7 OUTLIER -53.75 -46.12 70.8 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.369 -1.287 . . . . 0.0 111.874 -179.105 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' F' F ' 17' ' ' LEU . . . . . 0.747 HD12 HD12 ' L' ' 17' ' ' LEU . 79.3 mt -67.8 -33.31 74.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.971 -179.589 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . 0.41 HG23 ' O ' ' F' ' 14' ' ' ALA . 73.6 t -70.72 -45.53 73.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 121.053 0.454 . . . . 0.0 110.068 178.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' F' F ' 19' ' ' CYS . . . . . 0.896 ' HB3' ' HB3' ' F' ' 22' ' ' ARG . 75.7 m -66.81 -52.92 38.21 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.011 -179.581 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' F' F ' 20' ' ' GLY . . . . . 0.468 ' O ' ' HB2' ' F' ' 21' ' ' GLU . . . 68.64 85.38 0.11 Allowed Glycine 0 CA--C 1.52 0.355 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.022 -179.746 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' F' F ' 21' ' ' GLU . . . . . 0.468 ' HB2' ' O ' ' F' ' 20' ' ' GLY . 42.1 mt-10 76.39 -25.83 0.2 Allowed 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.588 0.755 . . . . 0.0 111.071 -178.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' F' F ' 22' ' ' ARG . . . . . 0.896 ' HB3' ' HB3' ' F' ' 19' ' ' CYS . 54.2 ttt180 -69.94 126.32 29.36 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 178.749 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' F' F ' 23' ' ' GLY . . . . . 0.772 ' HA3' ' HA ' ' H' ' 27' ' ' THR . . . -72.59 149.86 44.07 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.133 -1.032 . . . . 0.0 111.833 -179.587 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' F' F ' 24' ' ' PHE . . . . . 0.538 ' HA ' ' H ' ' E' ' 21' ' ' ASN . 4.0 p90 -123.49 166.86 14.68 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.005 0.431 . . . . 0.0 110.442 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' F' F ' 25' ' ' PHE . . . . . 0.416 ' CZ ' ' HA ' ' E' ' 19' ' ' TYR . 37.5 p90 -115.76 128.29 55.75 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 178.537 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' F' F ' 26' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -126.26 92.32 3.55 Favored 'General case' 0 C--N 1.318 -0.798 0 C-N-CA 120.298 -0.561 . . . . 0.0 110.844 -178.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 27' ' ' THR . . . . . 0.783 ' HA ' ' HA3' ' H' ' 23' ' ' GLY . 19.8 m -125.52 106.31 27.06 Favored Pre-proline 0 C--N 1.317 -0.833 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.515 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' F' F ' 28' ' ' PRO . . . . . 0.438 ' HB3' HG21 ' E' ' 3' ' ' VAL . 6.5 Cg_exo -74.06 44.76 1.04 Allowed 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 123.504 2.802 . . . . 0.0 111.567 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' F' F ' 29' ' ' LYS . . . . . 0.484 ' HB2' HG22 ' F' ' 27' ' ' THR . 28.1 tttp -109.9 3.54 20.68 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.166 -179.002 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' F' F ' 30' ' ' THR . . . . . . . . . . . . . 33.0 m . . . . . 0 C--O 1.247 0.937 0 CA-C-O 118.148 -0.93 . . . . 0.0 108.923 179.722 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' G' G ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.581 0 CA-C-O 119.96 -0.355 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' G' G ' 2' ' ' ILE . . . . . 0.726 HG23 ' H ' ' G' ' 3' ' ' VAL . 14.8 tt 43.1 -80.32 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 N-CA-C 114.376 1.25 . . . . 0.0 114.376 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' G' G ' 3' ' ' VAL . . . . . 0.726 ' H ' HG23 ' G' ' 2' ' ' ILE . 5.9 t -51.48 -77.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-O 121.311 0.577 . . . . 0.0 111.697 -179.243 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' G' G ' 4' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -83.45 45.56 1.06 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 122.043 0.925 . . . . 0.0 110.486 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' G' G ' 5' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -130.69 -31.81 1.74 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 113.681 -1.599 . . . . 0.0 107.324 178.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' G' G ' 6' ' ' CYS . . . . . 0.477 ' HA ' ' O ' ' G' ' 9' ' ' SER . 72.2 m -108.76 -22.32 12.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 114.238 -1.346 . . . . 0.0 111.038 -179.578 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' G' G ' 7' ' ' CYS . . . . . . . . . . . . . 48.9 t -81.24 -37.41 28.63 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.218 0.532 . . . . 0.0 109.684 179.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' G' G ' 8' ' ' THR . . . . . 0.488 ' O ' HG11 ' D' ' 2' ' ' VAL . 3.3 p -81.29 -13.85 58.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.516 179.321 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' G' G ' 9' ' ' SER . . . . . 0.477 ' O ' ' HA ' ' G' ' 6' ' ' CYS . 10.8 p -166.37 110.72 0.79 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.216 -0.902 . . . . 0.0 109.002 179.574 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' G' G ' 10' ' ' ILE . . . . . 0.593 HD13 ' HA ' ' D' ' 2' ' ' VAL . 1.8 mp -48.03 124.49 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 O-C-N 123.608 0.567 . . . . 0.0 111.902 -178.086 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' G' G ' 11' ' ' CYS . . . . . . . . . . . . . 87.1 m -87.14 154.13 20.98 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.586 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' G' G ' 12' ' ' SER . . . . . . . . . . . . . 41.6 t -71.71 155.14 40.81 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 178.333 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' G' G ' 13' ' ' LEU . . . . . . . . . . . . . 9.9 tt -56.54 -34.7 67.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.014 0.435 . . . . 0.0 110.356 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -69.12 -33.25 73.17 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.809 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' G' G ' 15' ' ' GLN . . . . . 0.407 ' HA ' ' ND2' ' G' ' 18' ' ' ASN . 84.1 mt-30 -70.52 -42.93 70.6 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 178.508 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' G' G ' 16' ' ' LEU . . . . . 0.586 ' HB3' HD23 ' H' ' 15' ' ' LEU . 81.2 mt -67.02 -32.76 74.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.115 178.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' G' G ' 17' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -62.93 -23.58 67.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.993 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' G' G ' 18' ' ' ASN . . . . . 0.407 ' ND2' ' HA ' ' G' ' 15' ' ' GLN . 80.7 m-20 -65.39 -21.82 66.72 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.874 0.369 . . . . 0.0 110.684 179.284 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' G' G ' 19' ' ' TYR . . . . . 0.455 ' CD1' HD12 ' G' ' 2' ' ' ILE . 33.2 m-85 -104.76 11.89 33.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.481 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' G' G ' 20' ' ' CYS . . . . . . . . . . . . . 48.8 t -95.61 106.14 18.2 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.281 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' G' G ' 21' ' ' ASN . . . . . 0.533 ' H ' ' HA ' ' H' ' 24' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.065 0 CA-C-O 117.9 -1.048 . . . . 0.0 112.286 179.131 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' H' H ' 1' ' ' PHE . . . . . . . . . . . . . 5.1 t80 . . . . . 0 N--CA 1.482 1.139 0 CA-C-O 120.812 0.339 . . . . 0.0 111.397 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' H' H ' 2' ' ' VAL . . . . . 0.664 ' O ' ' HG ' ' H' ' 6' ' ' LEU . 18.7 m -66.25 -48.26 81.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 -177.272 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' H' H ' 3' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -65.91 -22.65 66.51 Favored 'General case' 0 CA--C 1.516 -0.337 0 O-C-N 122.029 -0.42 . . . . 0.0 110.528 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' H' H ' 4' ' ' GLN . . . . . 0.581 ' HG3' HG11 ' G' ' 3' ' ' VAL . 38.6 tt0 -65.19 -35.25 80.48 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.176 0.512 . . . . 0.0 110.069 178.418 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' H' H ' 5' ' ' HIS . . . . . . . . . . . . . 70.2 t60 -90.55 -21.53 21.73 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.247 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' H' H ' 6' ' ' LEU . . . . . 0.664 ' HG ' ' O ' ' H' ' 2' ' ' VAL . 22.4 mt -97.41 -70.45 0.72 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.282 0.563 . . . . 0.0 110.736 -179.537 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' H' H ' 7' ' ' CYS . . . . . . . . . . . . . 30.5 t -61.15 -35.77 77.99 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.131 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' H' H ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.59 -31.4 63.51 Favored Glycine 0 C--N 1.331 0.254 0 CA-C-N 116.133 -0.485 . . . . 0.0 112.813 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' H' H ' 9' ' ' SER . . . . . 0.42 ' HB3' ' HG2' ' F' ' 13' ' ' GLU . 15.3 m -71.57 -3.82 23.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.725 0.298 . . . . 0.0 111.785 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' H' H ' 10' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 -116.55 -11.25 11.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.809 0.338 . . . . 0.0 111.154 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' H' H ' 11' ' ' LEU . . . . . 0.534 HD12 ' HA ' ' G' ' 3' ' ' VAL . 44.9 mt -69.94 -23.28 63.17 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 178.352 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' H' H ' 12' ' ' VAL . . . . . 0.893 HG21 HG21 ' F' ' 12' ' ' VAL . 3.6 m -64.99 -37.74 81.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 114.822 -1.081 . . . . 0.0 111.014 178.767 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' H' H ' 13' ' ' GLU . . . . . 0.469 ' O ' ' HG ' ' H' ' 17' ' ' LEU . 29.7 mt-10 -61.83 -37.9 86.15 Favored 'General case' 0 CA--C 1.522 -0.13 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' H' H ' 14' ' ' ALA . . . . . 0.407 ' O ' HG23 ' H' ' 18' ' ' VAL . . . -62.72 -46.66 87.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.033 178.552 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' H' H ' 15' ' ' LEU . . . . . 0.586 HD23 ' HB3' ' G' ' 16' ' ' LEU . 53.8 mt -65.0 -44.92 87.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.614 0.721 . . . . 0.0 109.971 178.719 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' H' H ' 16' ' ' TYR . . . . . 0.441 ' HB2' ' O ' ' H' ' 12' ' ' VAL . 0.7 OUTLIER -53.79 -45.78 70.84 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.47 -1.241 . . . . 0.0 111.895 -179.038 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' H' H ' 17' ' ' LEU . . . . . 0.752 HD12 HD12 ' B' ' 17' ' ' LEU . 79.4 mt -68.02 -32.8 73.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.996 -179.594 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . 0.407 HG23 ' O ' ' H' ' 14' ' ' ALA . 73.3 t -71.66 -44.39 69.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.056 0.455 . . . . 0.0 110.039 179.053 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' H' H ' 19' ' ' CYS . . . . . 0.861 ' HB3' ' HB3' ' H' ' 22' ' ' ARG . 74.7 m -68.19 -51.63 43.55 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.014 -179.595 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' H' H ' 20' ' ' GLY . . . . . 0.46 ' O ' ' HB2' ' H' ' 21' ' ' GLU . . . 67.3 86.52 0.08 OUTLIER Glycine 0 CA--C 1.52 0.358 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.052 -179.708 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' H' H ' 21' ' ' GLU . . . . . 0.46 ' HB2' ' O ' ' H' ' 20' ' ' GLY . 42.2 mt-10 75.45 -26.35 0.19 Allowed 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.623 0.769 . . . . 0.0 111.085 -178.62 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' H' H ' 22' ' ' ARG . . . . . 0.861 ' HB3' ' HB3' ' H' ' 19' ' ' CYS . 53.6 ttt180 -69.51 126.22 29.08 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 178.795 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' H' H ' 23' ' ' GLY . . . . . 0.783 ' HA3' ' HA ' ' F' ' 27' ' ' THR . . . -72.19 151.07 46.52 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.197 -1.002 . . . . 0.0 111.766 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' H' H ' 24' ' ' PHE . . . . . 0.533 ' HA ' ' H ' ' G' ' 21' ' ' ASN . 3.8 p90 -124.94 166.24 16.65 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.025 0.441 . . . . 0.0 110.325 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' H' H ' 25' ' ' PHE . . . . . 0.422 ' CZ ' ' HA ' ' G' ' 19' ' ' TYR . 37.3 p90 -115.24 128.17 55.97 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 178.532 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' H' H ' 26' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -125.88 92.18 3.54 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.854 -178.353 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' H' H ' 27' ' ' THR . . . . . 0.772 ' HA ' ' HA3' ' F' ' 23' ' ' GLY . 22.4 m -125.72 106.2 26.46 Favored Pre-proline 0 C--N 1.315 -0.908 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.505 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' H' H ' 28' ' ' PRO . . . . . 0.492 ' HB3' HG21 ' G' ' 3' ' ' VAL . 6.4 Cg_exo -74.24 46.93 1.46 Allowed 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 123.491 2.794 . . . . 0.0 111.231 179.709 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' H' H ' 29' ' ' LYS . . . . . 0.472 ' HB2' HG22 ' H' ' 27' ' ' THR . 29.4 tttp -112.29 4.63 17.83 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.04 -179.056 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' H' H ' 30' ' ' THR . . . . . . . . . . . . . 34.6 m . . . . . 0 C--O 1.246 0.905 0 CA-C-O 117.987 -1.006 . . . . 0.0 108.848 179.342 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' I' I ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.177 0 N-CA-C 111.618 -0.593 . . . . 0.0 111.618 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' I' I ' 2' ' ' ILE . . . . . 0.75 HG23 ' H ' ' I' ' 3' ' ' VAL . 14.5 tt 43.51 -79.06 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 125.059 1.344 . . . . 0.0 114.233 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' I' I ' 3' ' ' VAL . . . . . 0.75 ' H ' HG23 ' I' ' 2' ' ' ILE . 5.0 t -52.85 -78.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.3 0 CA-C-O 120.977 0.417 . . . . 0.0 111.729 -179.497 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' I' I ' 4' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -83.02 45.94 1.06 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 122.377 1.085 . . . . 0.0 110.718 179.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' I' I ' 5' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -130.05 -32.2 1.85 Allowed 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 113.462 -1.699 . . . . 0.0 107.332 178.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' I' I ' 6' ' ' CYS . . . . . 0.487 ' HA ' ' O ' ' I' ' 9' ' ' SER . 69.0 m -108.14 -23.17 12.08 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 114.339 -1.3 . . . . 0.0 111.074 -179.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' I' I ' 7' ' ' CYS . . . . . . . . . . . . . 47.1 t -80.27 -38.23 31.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.304 0.574 . . . . 0.0 109.749 179.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' I' I ' 8' ' ' THR . . . . . 0.479 ' O ' HG11 ' B' ' 2' ' ' VAL . 3.6 p -81.01 -13.12 59.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.623 179.461 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' I' I ' 9' ' ' SER . . . . . 0.487 ' O ' ' HA ' ' I' ' 6' ' ' CYS . 10.2 p -166.87 110.93 0.74 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.26 -0.882 . . . . 0.0 108.92 179.604 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' I' I ' 10' ' ' ILE . . . . . 0.598 HD13 ' HA ' ' B' ' 2' ' ' VAL . 1.8 mp -48.45 125.01 2.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.249 0.547 . . . . 0.0 111.749 -178.182 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' I' I ' 11' ' ' CYS . . . . . . . . . . . . . 85.2 m -87.57 153.13 21.64 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.218 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' I' I ' 12' ' ' SER . . . . . . . . . . . . . 44.4 t -70.86 155.85 40.3 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 178.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' I' I ' 13' ' ' LEU . . . . . . . . . . . . . 9.9 tt -56.63 -35.96 68.93 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.025 0.441 . . . . 0.0 110.242 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -67.89 -33.13 74.13 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.989 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' I' I ' 15' ' ' GLN . . . . . 0.423 ' HA ' ' ND2' ' I' ' 18' ' ' ASN . 83.0 mt-30 -70.83 -42.11 70.62 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 178.494 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' I' I ' 16' ' ' LEU . . . . . 0.581 ' HB3' HD23 ' J' ' 15' ' ' LEU . 80.4 mt -67.51 -33.93 76.08 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.02 178.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' I' I ' 17' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -61.87 -23.27 66.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.192 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' I' I ' 18' ' ' ASN . . . . . 0.423 ' ND2' ' HA ' ' I' ' 15' ' ' GLN . 80.0 m-20 -65.83 -21.29 66.47 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.952 0.406 . . . . 0.0 110.679 179.241 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' I' I ' 19' ' ' TYR . . . . . 0.473 ' CD1' HD12 ' I' ' 2' ' ' ILE . 30.3 m-85 -105.7 12.45 31.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.402 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' I' I ' 20' ' ' CYS . . . . . . . . . . . . . 48.7 t -95.7 106.54 18.66 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.893 -179.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' I' I ' 21' ' ' ASN . . . . . 0.528 ' H ' ' HA ' ' J' ' 24' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--O 1.248 1.002 0 CA-C-O 117.957 -1.02 . . . . 0.0 112.567 179.313 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' J' J ' 1' ' ' PHE . . . . . . . . . . . . . 5.2 t80 . . . . . 0 N--CA 1.481 1.112 0 CA-C-O 120.814 0.34 . . . . 0.0 111.593 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' J' J ' 2' ' ' VAL . . . . . 0.65 ' O ' ' HG ' ' J' ' 6' ' ' LEU . 17.0 m -66.84 -48.87 78.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 113.164 0.802 . . . . 0.0 113.164 -177.372 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' J' J ' 3' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -65.0 -23.51 67.24 Favored 'General case' 0 C--N 1.328 -0.341 0 O-C-N 122.033 -0.417 . . . . 0.0 110.562 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' J' J ' 4' ' ' GLN . . . . . 0.57 ' HG3' HG11 ' I' ' 3' ' ' VAL . 37.5 tt0 -64.38 -36.07 82.95 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.213 0.53 . . . . 0.0 110.223 178.33 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' J' J ' 5' ' ' HIS . . . . . . . . . . . . . 69.4 t60 -89.76 -22.18 22.29 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.376 -179.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' J' J ' 6' ' ' LEU . . . . . 0.65 ' HG ' ' O ' ' J' ' 2' ' ' VAL . 21.9 mt -96.72 -70.5 0.71 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.386 0.612 . . . . 0.0 110.816 -179.582 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' J' J ' 7' ' ' CYS . . . . . . . . . . . . . 31.5 t -61.15 -35.59 77.52 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.069 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' J' J ' 8' ' ' GLY . . . . . . . . . . . . . . . -58.25 -30.39 64.25 Favored Glycine 0 N--CA 1.453 -0.217 0 CA-C-N 116.055 -0.52 . . . . 0.0 112.949 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' J' J ' 9' ' ' SER . . . . . 0.429 ' HB3' ' HG2' ' L' ' 13' ' ' GLU . 15.1 m -72.73 -2.87 22.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.705 0.288 . . . . 0.0 111.511 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' J' J ' 10' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -117.14 -11.0 10.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.809 0.338 . . . . 0.0 111.32 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' J' J ' 11' ' ' LEU . . . . . 0.496 HD12 ' HA ' ' I' ' 3' ' ' VAL . 45.5 mt -70.3 -23.78 62.91 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 178.044 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' J' J ' 12' ' ' VAL . . . . . 0.912 HG21 HG21 ' L' ' 12' ' ' VAL . 3.5 m -64.22 -37.75 80.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 114.842 -1.072 . . . . 0.0 111.082 178.707 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' J' J ' 13' ' ' GLU . . . . . 0.48 ' O ' ' HG ' ' J' ' 17' ' ' LEU . 29.2 mt-10 -61.85 -37.76 85.68 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-O 121.239 0.542 . . . . 0.0 109.54 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' J' J ' 14' ' ' ALA . . . . . 0.424 ' O ' HG23 ' J' ' 18' ' ' VAL . . . -63.19 -46.57 86.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.327 -0.852 . . . . 0.0 110.037 178.637 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' J' J ' 15' ' ' LEU . . . . . 0.581 HD23 ' HB3' ' I' ' 16' ' ' LEU . 53.5 mt -64.94 -44.56 89.07 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.557 0.694 . . . . 0.0 109.986 178.73 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' J' J ' 16' ' ' TYR . . . . . 0.444 ' HB2' ' O ' ' J' ' 12' ' ' VAL . 0.8 OUTLIER -53.99 -45.71 71.51 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.513 -1.221 . . . . 0.0 112.076 -178.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' J' J ' 17' ' ' LEU . . . . . 0.726 HD12 HD12 ' D' ' 17' ' ' LEU . 74.8 mt -68.47 -31.97 71.64 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.056 -179.627 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' J' J ' 18' ' ' VAL . . . . . 0.424 HG23 ' O ' ' J' ' 14' ' ' ALA . 73.7 t -72.39 -43.93 63.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.211 0.529 . . . . 0.0 109.944 178.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' J' J ' 19' ' ' CYS . . . . . 0.853 ' HB3' ' HB3' ' J' ' 22' ' ' ARG . 78.2 m -68.35 -51.53 43.3 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.896 -179.587 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' J' J ' 20' ' ' GLY . . . . . 0.468 ' O ' ' HB2' ' J' ' 21' ' ' GLU . . . 67.3 86.15 0.09 OUTLIER Glycine 0 CA--C 1.518 0.245 0 C-N-CA 120.831 -0.7 . . . . 0.0 111.958 -179.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' J' J ' 21' ' ' GLU . . . . . 0.468 ' HB2' ' O ' ' J' ' 20' ' ' GLY . 44.2 mt-10 75.84 -27.45 0.18 Allowed 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.493 0.717 . . . . 0.0 111.069 -178.56 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' J' J ' 22' ' ' ARG . . . . . 0.853 ' HB3' ' HB3' ' J' ' 19' ' ' CYS . 52.9 ttt180 -68.57 125.86 27.84 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 178.739 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' J' J ' 23' ' ' GLY . . . . . 0.764 ' HA3' ' HA ' ' L' ' 27' ' ' THR . . . -72.08 150.58 46.0 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.186 -1.006 . . . . 0.0 111.821 -179.62 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' J' J ' 24' ' ' PHE . . . . . 0.528 ' HA ' ' H ' ' I' ' 21' ' ' ASN . 4.1 p90 -124.17 166.5 15.72 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.943 0.402 . . . . 0.0 110.483 179.789 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' J' J ' 25' ' ' PHE . . . . . 0.424 ' CZ ' ' HA ' ' I' ' 19' ' ' TYR . 37.5 p90 -115.62 127.47 55.23 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 178.536 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' J' J ' 26' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -125.57 93.33 3.82 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.158 0.504 . . . . 0.0 110.802 -178.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' J' J ' 27' ' ' THR . . . . . 0.769 ' HA ' ' HA3' ' L' ' 23' ' ' GLY . 19.8 m -126.25 105.48 24.92 Favored Pre-proline 0 C--N 1.316 -0.86 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.55 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' J' J ' 28' ' ' PRO . . . . . 0.451 ' HB3' HG21 ' I' ' 3' ' ' VAL . 6.2 Cg_exo -74.07 48.34 1.71 Allowed 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 123.405 2.737 . . . . 0.0 111.165 179.445 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' J' J ' 29' ' ' LYS . . . . . 0.482 ' HB2' HG22 ' J' ' 27' ' ' THR . 28.5 tttp -113.08 2.21 15.61 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.821 -179.183 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' J' J ' 30' ' ' THR . . . . . . . . . . . . . 36.9 m . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.175 -0.917 . . . . 0.0 109.137 179.78 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.143 0 N-CA-C 111.136 -0.785 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' K' K ' 2' ' ' ILE . . . . . 0.755 HG23 ' H ' ' K' ' 3' ' ' VAL . 14.0 tt 41.24 -79.29 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 125.45 1.5 . . . . 0.0 114.082 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' K' K ' 3' ' ' VAL . . . . . 0.755 ' H ' HG23 ' K' ' 2' ' ' ILE . 5.5 t -52.57 -78.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.142 0.496 . . . . 0.0 111.822 -179.554 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' K' K ' 4' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -83.27 45.12 1.0 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 122.165 0.983 . . . . 0.0 110.668 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' K' K ' 5' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -128.96 -32.56 2.06 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 113.561 -1.654 . . . . 0.0 107.095 178.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' K' K ' 6' ' ' CYS . . . . . 0.493 ' HA ' ' O ' ' K' ' 9' ' ' SER . 65.4 m -108.45 -21.56 12.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.255 -1.339 . . . . 0.0 111.244 -179.589 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' K' K ' 7' ' ' CYS . . . . . . . . . . . . . 50.0 t -81.79 -36.53 28.32 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.403 0.621 . . . . 0.0 109.683 179.173 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' K' K ' 8' ' ' THR . . . . . 0.468 ' O ' HG11 ' H' ' 2' ' ' VAL . 4.4 p -82.27 -13.51 56.9 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.364 179.364 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' K' K ' 9' ' ' SER . . . . . 0.493 ' O ' ' HA ' ' K' ' 6' ' ' CYS . 11.0 p -166.39 110.69 0.78 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.096 -0.956 . . . . 0.0 108.906 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' K' K ' 10' ' ' ILE . . . . . 0.583 HD13 ' HA ' ' H' ' 2' ' ' VAL . 1.8 mp -48.02 126.04 2.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.396 0.617 . . . . 0.0 111.421 -178.319 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' K' K ' 11' ' ' CYS . . . . . . . . . . . . . 85.4 m -89.3 152.99 21.24 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.221 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' K' K ' 12' ' ' SER . . . . . . . . . . . . . 42.7 t -70.41 155.22 40.98 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 178.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' K' K ' 13' ' ' LEU . . . . . . . . . . . . . 9.9 tt -56.38 -35.91 68.25 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.925 0.393 . . . . 0.0 110.276 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -67.96 -34.41 76.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.84 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' K' K ' 15' ' ' GLN . . . . . 0.412 ' HA ' ' ND2' ' K' ' 18' ' ' ASN . 82.4 mt-30 -68.93 -43.21 75.57 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 178.394 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' K' K ' 16' ' ' LEU . . . . . 0.606 ' HB3' HD23 ' L' ' 15' ' ' LEU . 82.7 mt -66.76 -33.3 75.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.065 178.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' K' K ' 17' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -62.52 -23.14 66.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.152 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' K' K ' 18' ' ' ASN . . . . . 0.412 ' ND2' ' HA ' ' K' ' 15' ' ' GLN . 78.8 m-20 -65.72 -21.9 66.56 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.006 0.431 . . . . 0.0 110.499 179.299 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' K' K ' 19' ' ' TYR . . . . . 0.46 ' CD1' HD12 ' K' ' 2' ' ' ILE . 26.9 m-85 -104.79 12.36 32.77 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.446 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' K' K ' 20' ' ' CYS . . . . . . . . . . . . . 48.5 t -95.96 106.04 18.15 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.24 -179.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' K' K ' 21' ' ' ASN . . . . . 0.52 ' H ' ' HA ' ' L' ' 24' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--O 1.247 0.956 0 CA-C-O 117.974 -1.013 . . . . 0.0 112.427 179.167 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' L' L ' 1' ' ' PHE . . . . . . . . . . . . . 5.6 t80 . . . . . 0 N--CA 1.48 1.072 0 CA-C-O 120.771 0.319 . . . . 0.0 111.309 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' L' L ' 2' ' ' VAL . . . . . 0.67 ' O ' ' HG ' ' L' ' 6' ' ' LEU . 18.1 m -66.27 -48.51 80.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 -177.497 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' L' L ' 3' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -66.07 -22.62 66.43 Favored 'General case' 0 C--O 1.223 -0.292 0 O-C-N 122.046 -0.409 . . . . 0.0 110.57 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' L' L ' 4' ' ' GLN . . . . . 0.57 ' HG3' HG11 ' K' ' 3' ' ' VAL . 37.5 tt0 -65.36 -35.06 79.84 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.232 0.539 . . . . 0.0 110.073 178.417 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' L' L ' 5' ' ' HIS . . . . . . . . . . . . . 70.3 t60 -90.55 -21.82 21.59 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.314 -179.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' L' L ' 6' ' ' LEU . . . . . 0.67 ' HG ' ' O ' ' L' ' 2' ' ' VAL . 22.4 mt -96.72 -70.95 0.7 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.325 0.583 . . . . 0.0 110.669 -179.75 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' L' L ' 7' ' ' CYS . . . . . . . . . . . . . 33.3 t -60.88 -35.57 76.96 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.16 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' L' L ' 8' ' ' GLY . . . . . . . . . . . . . . . -58.22 -30.66 64.54 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 121.149 -0.548 . . . . 0.0 112.822 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' L' L ' 9' ' ' SER . . . . . 0.435 ' HB3' ' HG2' ' J' ' 13' ' ' GLU . 15.3 m -72.02 -3.79 24.92 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.683 0.278 . . . . 0.0 111.582 179.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' L' L ' 10' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 -116.32 -11.39 11.24 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 120.87 0.367 . . . . 0.0 111.291 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' L' L ' 11' ' ' LEU . . . . . 0.52 HD12 ' HA ' ' K' ' 3' ' ' VAL . 46.6 mt -70.02 -23.26 63.1 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 178.3 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' L' L ' 12' ' ' VAL . . . . . 0.912 HG21 HG21 ' J' ' 12' ' ' VAL . 3.4 m -64.71 -37.72 80.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 114.851 -1.068 . . . . 0.0 110.988 178.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' L' L ' 13' ' ' GLU . . . . . 0.464 ' O ' ' HG ' ' L' ' 17' ' ' LEU . 29.3 mt-10 -61.93 -37.72 85.74 Favored 'General case' 0 CA--C 1.52 -0.195 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 179.693 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' L' L ' 14' ' ' ALA . . . . . 0.409 ' O ' HG23 ' L' ' 18' ' ' VAL . . . -63.01 -46.66 86.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.021 178.54 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' L' L ' 15' ' ' LEU . . . . . 0.606 HD23 ' HB3' ' K' ' 16' ' ' LEU . 51.1 mt -65.12 -44.65 88.02 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.596 0.712 . . . . 0.0 110.056 178.771 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' L' L ' 16' ' ' TYR . . . . . 0.426 ' HB2' ' O ' ' L' ' 12' ' ' VAL . 0.7 OUTLIER -53.91 -45.61 71.21 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.476 -1.238 . . . . 0.0 112.02 -179.139 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' L' L ' 17' ' ' LEU . . . . . 0.747 HD12 HD12 ' F' ' 17' ' ' LEU . 78.9 mt -67.9 -33.49 74.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.939 -179.539 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' L' L ' 18' ' ' VAL . . . . . 0.409 HG23 ' O ' ' L' ' 14' ' ' ALA . 79.4 t -70.99 -45.64 71.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.117 0.484 . . . . 0.0 109.966 178.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' L' L ' 19' ' ' CYS . . . . . 0.861 ' HB3' ' HB3' ' L' ' 22' ' ' ARG . 77.2 m -66.59 -52.62 43.41 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.88 -179.687 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' L' L ' 20' ' ' GLY . . . . . 0.486 ' O ' ' HB2' ' L' ' 21' ' ' GLU . . . 68.53 85.12 0.11 Allowed Glycine 0 C--N 1.333 0.374 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.164 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' L' L ' 21' ' ' GLU . . . . . 0.486 ' HB2' ' O ' ' L' ' 20' ' ' GLY . 41.4 mt-10 76.29 -26.32 0.19 Allowed 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.519 0.728 . . . . 0.0 111.151 -178.602 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' L' L ' 22' ' ' ARG . . . . . 0.861 ' HB3' ' HB3' ' L' ' 19' ' ' CYS . 54.3 ttt180 -69.53 126.5 29.95 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 178.71 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' L' L ' 23' ' ' GLY . . . . . 0.769 ' HA3' ' HA ' ' J' ' 27' ' ' THR . . . -72.62 151.17 45.94 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 119.958 -1.115 . . . . 0.0 111.844 -179.485 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' L' L ' 24' ' ' PHE . . . . . 0.52 ' HA ' ' H ' ' K' ' 21' ' ' ASN . 3.7 p90 -124.69 166.09 16.77 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 120.826 0.346 . . . . 0.0 110.543 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' L' L ' 25' ' ' PHE . . . . . 0.437 ' CZ ' ' HA ' ' K' ' 19' ' ' TYR . 37.5 p90 -114.9 128.62 56.4 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 178.442 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' L' L ' 26' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -126.44 93.2 3.73 Favored 'General case' 0 C--N 1.317 -0.81 0 C-N-CA 120.321 -0.552 . . . . 0.0 110.747 -178.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' L' L ' 27' ' ' THR . . . . . 0.764 ' HA ' ' HA3' ' J' ' 23' ' ' GLY . 18.8 m -126.5 106.41 23.83 Favored Pre-proline 0 C--N 1.317 -0.843 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.544 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' L' L ' 28' ' ' PRO . . . . . 0.45 ' HB3' HG21 ' K' ' 3' ' ' VAL . 5.9 Cg_exo -74.13 45.73 1.22 Allowed 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 123.531 2.82 . . . . 0.0 111.441 179.557 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' L' L ' 29' ' ' LYS . . . . . 0.49 ' HB2' HG22 ' L' ' 27' ' ' THR . 28.7 tttp . . . . . 0 C--N 1.324 -0.523 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.935 -179.02 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.257 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 11.5 tt -81.78 -36.49 14.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-O 120.698 0.285 . . . . 0.0 111.259 -178.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.505 HG11 ' HG3' ' B' ' 4' ' ' GLN . 96.3 t -61.77 -59.84 3.66 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 CA-C-O 120.884 0.373 . . . . 0.0 110.637 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -79.44 61.58 3.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.427 0.632 . . . . 0.0 110.757 179.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.442 ' HG2' ' SG ' ' A' ' 11' ' ' CYS . 32.2 tt0 -172.34 -43.73 0.02 OUTLIER 'General case' 0 C--N 1.312 -1.035 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 95.4 m -89.14 -39.55 13.51 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.745 -1.116 . . . . 0.0 111.226 179.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 79.8 m -91.45 18.28 7.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.25 0.548 . . . . 0.0 109.891 178.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.2 m -104.83 -45.21 4.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.44 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.2 p -156.83 21.86 0.32 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.663 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.416 HD11 ' HA ' ' F' ' 2' ' ' VAL . 2.3 mp 70.34 125.29 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 CA-C-N 115.476 -0.783 . . . . 0.0 111.617 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.442 ' SG ' ' HG2' ' A' ' 5' ' ' GLN . 85.9 m -81.51 145.17 30.84 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.137 179.787 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.42 ' HB2' ' HG3' ' A' ' 15' ' ' GLN . 17.3 m -73.99 152.15 40.12 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 178.387 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.92 HD11 HD11 ' G' ' 13' ' ' LEU . 7.3 tt -52.73 -48.15 66.89 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -178.361 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -65.65 -22.91 66.69 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -178.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.42 ' HG3' ' HB2' ' A' ' 12' ' ' SER . 26.3 mt-30 -75.54 -27.99 58.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.182 0.515 . . . . 0.0 110.047 178.752 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.7 ' HB3' HD23 ' B' ' 15' ' ' LEU . 86.1 mt -78.23 -23.94 47.19 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.34 -179.646 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -61.8 -21.93 65.02 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.832 -179.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 -81.83 -4.89 57.56 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.319 -179.157 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 18.0 m-30 -105.07 13.79 30.28 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.94 0.4 . . . . 0.0 111.365 -178.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 72.7 m -84.89 154.18 22.4 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.778 179.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 . . . . . 0 C--O 1.252 1.197 0 CA-C-O 118.317 -0.849 . . . . 0.0 109.438 179.58 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 26.6 t80 . . . . . 0 N--CA 1.481 1.119 0 CA-C-O 120.557 0.218 . . . . 0.0 111.077 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . 0.511 ' O ' ' HG ' ' B' ' 6' ' ' LEU . 16.8 m -68.93 -31.81 52.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -178.412 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . 0.419 ' HA ' ' HB2' ' B' ' 6' ' ' LEU . 9.5 m-20 -62.97 -19.32 64.2 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-O 121.113 0.483 . . . . 0.0 110.911 179.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . 0.505 ' HG3' HG11 ' A' ' 3' ' ' VAL . 8.6 tt0 -68.2 -17.17 64.25 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.254 0.549 . . . . 0.0 109.952 178.609 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -118.67 11.5 12.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.387 0.613 . . . . 0.0 109.515 179.243 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' B' ' 2' ' ' VAL . 55.3 mt -126.23 -64.48 1.04 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.446 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . 0.455 ' HB2' HD13 ' F' ' 6' ' ' LEU . 2.8 t -62.45 -46.45 88.47 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.719 -1.128 . . . . 0.0 109.381 178.435 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . 0.647 ' HA2' ' HG ' ' B' ' 11' ' ' LEU . . . -58.89 -30.2 65.99 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.297 178.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . 0.69 ' HB3' ' HG2' ' D' ' 13' ' ' GLU . 7.7 m -71.5 -1.1 12.15 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.755 0.312 . . . . 0.0 111.365 179.656 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 70.2 m-70 -120.56 -11.21 9.11 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-O 120.803 0.335 . . . . 0.0 111.25 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.647 ' HG ' ' HA2' ' B' ' 8' ' ' GLY . 13.9 mt -69.71 -21.82 63.45 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 176.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.46 HG21 HG21 ' D' ' 12' ' ' VAL . 11.2 m -67.94 -46.33 82.16 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 CA-C-N 114.654 -1.157 . . . . 0.0 111.561 179.308 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.706 ' HG2' ' HB3' ' D' ' 9' ' ' SER . 18.9 mt-10 -63.1 -29.54 70.88 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 108.92 -0.771 . . . . 0.0 108.92 178.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . 0.428 ' HB1' ' HG ' ' H' ' 17' ' ' LEU . . . -69.39 -52.83 23.26 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.463 177.333 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.7 HD23 ' HB3' ' A' ' 16' ' ' LEU . 91.2 mt -58.05 -39.2 77.84 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.986 178.553 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . 0.474 ' CD2' ' HE2' ' B' ' 24' ' ' PHE . 0.4 OUTLIER -54.87 -37.85 66.77 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.937 -1.029 . . . . 0.0 110.745 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.437 ' HG ' ' HB1' ' H' ' 14' ' ' ALA . 4.0 mm? -80.84 -43.55 19.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.646 179.307 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.41 HG23 ' O ' ' B' ' 14' ' ' ALA . 88.8 t -59.06 -48.34 87.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.522 179.629 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . 0.622 ' HB3' ' HB2' ' B' ' 22' ' ' ARG . 66.6 m -72.22 -28.36 63.12 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.877 178.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.96 -98.34 0.29 Allowed Glycine 0 N--CA 1.452 -0.297 0 CA-C-N 115.718 -0.674 . . . . 0.0 113.951 178.457 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -93.34 5.64 50.86 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.257 0.551 . . . . 0.0 110.761 -178.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . 0.622 ' HB2' ' HB3' ' B' ' 19' ' ' CYS . 47.4 mtt85 -103.4 174.38 5.89 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.097 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . 0.745 ' HA2' ' HD2' ' D' ' 28' ' ' PRO . . . -99.61 -171.84 30.53 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.382 -0.914 . . . . 0.0 111.22 178.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . 0.474 ' HE2' ' CD2' ' B' ' 16' ' ' TYR . 5.0 p90 -156.65 149.23 23.54 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.217 0.532 . . . . 0.0 110.252 178.731 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 8.1 p90 -114.92 116.71 28.95 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 179.206 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -105.11 120.77 42.32 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.222 -179.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 3.0 p -123.68 88.89 51.74 Favored Pre-proline 0 C--N 1.32 -0.684 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -178.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . 0.722 ' HD2' ' HA2' ' D' ' 23' ' ' GLY . 86.5 Cg_endo -83.07 13.32 2.68 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 122.906 2.404 . . . . 0.0 109.829 177.363 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 69.8 tttt -110.74 128.9 55.91 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 114.028 -1.442 . . . . 0.0 109.339 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 11.4 t . . . . . 0 C--O 1.245 0.862 0 CA-C-O 118.628 -0.701 . . . . 0.0 109.831 179.891 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.828 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 12.4 tt -82.96 -35.81 12.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 120.925 0.393 . . . . 0.0 111.224 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 3' ' ' VAL . . . . . 0.521 HG11 ' HG3' ' D' ' 4' ' ' GLN . 93.5 t -62.65 -59.91 3.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.753 0.311 . . . . 0.0 110.778 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -79.19 61.05 3.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.6 0.714 . . . . 0.0 111.124 179.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 5' ' ' GLN . . . . . 0.458 ' HG2' ' SG ' ' C' ' 11' ' ' CYS . 32.3 tt0 -171.54 -44.27 0.02 OUTLIER 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 114.337 -1.301 . . . . 0.0 107.658 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 90.9 m -88.39 -39.64 14.14 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.573 -1.194 . . . . 0.0 111.33 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 7' ' ' CYS . . . . . . . . . . . . . 80.1 m -91.08 16.01 10.52 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.153 0.501 . . . . 0.0 110.082 178.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 23.5 m -102.08 -46.59 4.81 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.497 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 5.2 p -155.79 22.88 0.39 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.684 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . 0.42 HD11 ' HA ' ' L' ' 2' ' ' VAL . 2.3 mp 69.78 127.01 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 CA-C-N 115.283 -0.871 . . . . 0.0 111.384 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 11' ' ' CYS . . . . . 0.458 ' SG ' ' HG2' ' C' ' 5' ' ' GLN . 84.1 m -82.85 146.7 28.75 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.056 179.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . 0.431 ' HB2' ' HG3' ' C' ' 15' ' ' GLN . 19.5 m -75.77 151.35 37.58 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 178.502 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 13' ' ' LEU . . . . . 0.937 HD11 HD11 ' I' ' 13' ' ' LEU . 7.3 tt -51.84 -48.09 64.12 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -178.333 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -65.4 -22.74 66.82 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 -179.009 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . 0.431 ' HG3' ' HB2' ' C' ' 12' ' ' SER . 26.2 mt-30 -75.73 -29.17 58.81 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.293 0.568 . . . . 0.0 109.976 178.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 16' ' ' LEU . . . . . 0.701 ' HB3' HD23 ' D' ' 15' ' ' LEU . 85.1 mt -76.62 -24.5 53.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.389 -179.668 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -60.99 -23.72 65.59 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 112.022 0.378 . . . . 0.0 112.022 -179.463 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 67.1 m-20 -80.61 -3.63 51.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.52 -179.206 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 18.1 m-30 -105.77 13.71 29.25 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.946 0.403 . . . . 0.0 111.062 -178.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 76.7 m -84.79 154.8 22.13 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.962 179.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.394 -0.812 . . . . 0.0 109.381 179.476 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 25.7 t80 . . . . . 0 N--CA 1.479 0.996 0 CA-C-O 120.468 0.175 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' D' D ' 2' ' ' VAL . . . . . 0.51 ' O ' ' HG ' ' D' ' 6' ' ' LEU . 16.5 m -68.76 -32.59 55.49 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 -178.675 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 3' ' ' ASN . . . . . 0.408 ' HA ' ' HB2' ' D' ' 6' ' ' LEU . 9.8 m-20 -62.43 -18.84 62.65 Favored 'General case' 0 C--O 1.223 -0.303 0 CA-C-O 120.948 0.404 . . . . 0.0 110.802 179.661 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 4' ' ' GLN . . . . . 0.521 ' HG3' HG11 ' C' ' 3' ' ' VAL . 8.9 tt0 -68.36 -17.8 64.33 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.05 0.452 . . . . 0.0 109.806 178.49 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 5' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -117.59 10.53 13.47 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.51 0.672 . . . . 0.0 109.752 179.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 6' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' D' ' 2' ' ' VAL . 50.6 mt -125.23 -64.14 1.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.558 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 7' ' ' CYS . . . . . 0.434 ' HB2' HD13 ' L' ' 6' ' ' LEU . 3.1 t -62.22 -46.95 86.6 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.711 -1.131 . . . . 0.0 109.289 178.521 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 8' ' ' GLY . . . . . 0.659 ' HA2' ' HG ' ' D' ' 11' ' ' LEU . . . -58.94 -29.63 65.27 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.339 179.079 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 9' ' ' SER . . . . . 0.706 ' HB3' ' HG2' ' B' ' 13' ' ' GLU . 7.4 m -71.77 -1.02 12.53 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.689 0.281 . . . . 0.0 111.259 179.609 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 10' ' ' HIS . . . . . . . . . . . . . 69.7 m-70 -120.69 -11.06 9.08 Favored 'General case' 0 CA--C 1.51 -0.562 0 CA-C-O 120.801 0.334 . . . . 0.0 111.29 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 11' ' ' LEU . . . . . 0.659 ' HG ' ' HA2' ' D' ' 8' ' ' GLY . 13.9 mt -69.42 -22.2 63.7 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 107.294 -1.373 . . . . 0.0 107.294 176.698 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 12' ' ' VAL . . . . . 0.46 HG21 HG21 ' B' ' 12' ' ' VAL . 12.0 m -67.76 -46.42 82.52 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 CA-C-N 114.707 -1.133 . . . . 0.0 111.588 179.275 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 13' ' ' GLU . . . . . 0.69 ' HG2' ' HB3' ' B' ' 9' ' ' SER . 19.0 mt-10 -62.94 -29.61 70.93 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 178.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 14' ' ' ALA . . . . . 0.418 ' O ' HG23 ' D' ' 18' ' ' VAL . . . -69.26 -52.61 25.92 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.477 177.36 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 15' ' ' LEU . . . . . 0.701 HD23 ' HB3' ' C' ' 16' ' ' LEU . 91.7 mt -58.36 -39.16 78.79 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.833 178.691 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 16' ' ' TYR . . . . . 0.498 ' CD2' ' HE2' ' D' ' 24' ' ' PHE . 0.4 OUTLIER -54.88 -37.98 66.96 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.982 -1.008 . . . . 0.0 110.741 179.833 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . 0.428 ' HG ' ' HB1' ' J' ' 14' ' ' ALA . 4.0 mm? -80.82 -43.82 19.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.525 179.128 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . 0.418 HG23 ' O ' ' D' ' 14' ' ' ALA . 85.2 t -58.79 -48.34 86.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.558 179.63 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 19' ' ' CYS . . . . . 0.651 ' HB3' ' HB2' ' D' ' 22' ' ' ARG . 71.4 m -72.32 -28.12 62.87 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.918 179.107 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.39 -99.21 0.31 Allowed Glycine 0 C--N 1.33 0.231 0 CA-C-N 115.492 -0.776 . . . . 0.0 113.78 178.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -91.56 4.26 53.04 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.293 0.568 . . . . 0.0 110.92 -178.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 22' ' ' ARG . . . . . 0.651 ' HB2' ' HB3' ' D' ' 19' ' ' CYS . 47.0 mtt85 -102.21 173.97 6.13 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.04 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 23' ' ' GLY . . . . . 0.722 ' HA2' ' HD2' ' B' ' 28' ' ' PRO . . . -99.97 -171.7 30.04 Favored Glycine 0 N--CA 1.443 -0.846 0 C-N-CA 120.394 -0.907 . . . . 0.0 111.102 178.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 24' ' ' PHE . . . . . 0.498 ' HE2' ' CD2' ' D' ' 16' ' ' TYR . 5.1 p90 -156.66 149.14 23.43 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.274 0.559 . . . . 0.0 110.351 178.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 25' ' ' PHE . . . . . . . . . . . . . 7.4 p90 -114.44 117.76 31.91 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 179.137 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 26' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -106.14 120.17 41.11 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.077 0.465 . . . . 0.0 110.089 -179.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 27' ' ' THR . . . . . . . . . . . . . 3.0 p -123.0 88.23 50.89 Favored Pre-proline 0 C--N 1.321 -0.648 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -178.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 28' ' ' PRO . . . . . 0.745 ' HD2' ' HA2' ' B' ' 23' ' ' GLY . 87.7 Cg_endo -82.15 11.36 3.18 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.615 2.21 . . . . 0.0 109.646 177.388 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 68.3 tttt -108.83 126.97 53.61 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.097 -1.41 . . . . 0.0 109.822 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 12.9 t . . . . . 0 C--O 1.246 0.875 0 CA-C-O 118.655 -0.688 . . . . 0.0 109.705 179.718 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.961 0 N-CA-C 111.987 -0.445 . . . . 0.0 111.987 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' E' E ' 2' ' ' ILE . . . . . . . . . . . . . 11.9 tt -81.35 -36.55 14.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-O 120.683 0.278 . . . . 0.0 111.197 -179.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 3' ' ' VAL . . . . . 0.522 HG11 ' HG3' ' F' ' 4' ' ' GLN . 93.9 t -61.78 -59.74 3.83 Favored 'Isoleucine or valine' 0 C--O 1.238 0.457 0 CA-C-O 120.783 0.325 . . . . 0.0 110.96 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' E' E ' 4' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -79.12 59.23 2.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.753 0.787 . . . . 0.0 111.177 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 5' ' ' GLN . . . . . 0.454 ' HG2' ' SG ' ' E' ' 11' ' ' CYS . 31.7 tt0 -170.12 -42.13 0.02 OUTLIER 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 114.432 -1.258 . . . . 0.0 107.878 179.778 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' E' E ' 6' ' ' CYS . . . . . . . . . . . . . 89.5 m -90.22 -39.89 12.52 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.649 -1.16 . . . . 0.0 110.91 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 7' ' ' CYS . . . . . . . . . . . . . 80.6 m -91.1 16.82 8.97 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.138 0.494 . . . . 0.0 110.097 178.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 25.4 m -103.55 -45.76 4.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.528 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 9' ' ' SER . . . . . . . . . . . . . 7.6 p -156.25 23.1 0.36 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.568 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 10' ' ' ILE . . . . . 0.432 HD11 ' HA ' ' J' ' 2' ' ' VAL . 2.3 mp 69.17 125.43 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.704 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' E' E ' 11' ' ' CYS . . . . . 0.454 ' SG ' ' HG2' ' E' ' 5' ' ' GLN . 84.4 m -81.29 146.02 30.62 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.95 179.588 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' E' E ' 12' ' ' SER . . . . . 0.423 ' HB2' ' HG3' ' E' ' 15' ' ' GLN . 19.7 m -75.58 150.5 38.04 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 178.383 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' E' E ' 13' ' ' LEU . . . . . 0.916 HD11 HD11 ' K' ' 13' ' ' LEU . 7.1 tt -51.0 -48.05 61.44 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -178.308 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -65.68 -22.51 66.64 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -179.044 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 15' ' ' GLN . . . . . 0.423 ' HG3' ' HB2' ' E' ' 12' ' ' SER . 26.1 mt-30 -76.03 -28.65 57.8 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 178.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' E' E ' 16' ' ' LEU . . . . . 0.715 ' HB3' HD23 ' F' ' 15' ' ' LEU . 86.2 mt -77.7 -24.5 49.23 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.525 -179.631 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' E' E ' 17' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -61.32 -22.4 64.86 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 111.914 0.339 . . . . 0.0 111.914 -179.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 18' ' ' ASN . . . . . . . . . . . . . 67.3 m-20 -81.17 -6.04 58.39 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.812 0.339 . . . . 0.0 111.265 -179.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 19' ' ' TYR . . . . . . . . . . . . . 17.4 m-30 -103.32 13.3 34.07 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.037 0.446 . . . . 0.0 111.435 -178.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 20' ' ' CYS . . . . . . . . . . . . . 76.2 m -84.4 153.41 23.44 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.752 179.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 21' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 . . . . . 0 C--O 1.253 1.287 0 CA-C-O 118.476 -0.773 . . . . 0.0 109.895 179.807 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' F' F ' 1' ' ' PHE . . . . . . . . . . . . . 30.5 t80 . . . . . 0 N--CA 1.481 1.092 0 CA-C-O 120.727 0.299 . . . . 0.0 111.471 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' F' F ' 2' ' ' VAL . . . . . 0.533 ' O ' ' HG ' ' F' ' 6' ' ' LEU . 15.6 m -69.2 -31.1 48.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -178.146 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' F' F ' 3' ' ' ASN . . . . . 0.42 ' HA ' ' HB2' ' F' ' 6' ' ' LEU . 10.1 m-20 -63.19 -19.1 64.2 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-O 120.994 0.426 . . . . 0.0 110.799 179.486 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' F' F ' 4' ' ' GLN . . . . . 0.522 ' HG3' HG11 ' E' ' 3' ' ' VAL . 8.9 tt0 -68.08 -17.4 64.37 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.31 0.576 . . . . 0.0 109.991 178.669 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' F' F ' 5' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -118.31 10.88 12.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.412 0.625 . . . . 0.0 109.717 179.171 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 6' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' F' ' 2' ' ' VAL . 54.0 mt -125.79 -63.68 1.11 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.673 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' F' F ' 7' ' ' CYS . . . . . 0.462 ' HB2' HD13 ' J' ' 6' ' ' LEU . 2.6 t -63.2 -46.53 86.61 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.777 -1.102 . . . . 0.0 109.157 178.428 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' F' F ' 8' ' ' GLY . . . . . 0.65 ' HA2' ' HG ' ' F' ' 11' ' ' LEU . . . -58.72 -29.77 64.81 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.653 -0.785 . . . . 0.0 112.343 178.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' F' F ' 9' ' ' SER . . . . . 0.677 ' HB3' ' HG2' ' H' ' 13' ' ' GLU . 7.4 m -71.75 -1.38 13.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.664 0.268 . . . . 0.0 111.438 179.732 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' F' F ' 10' ' ' HIS . . . . . . . . . . . . . 72.7 m-70 -120.39 -10.79 9.24 Favored 'General case' 0 CA--C 1.513 -0.472 0 CA-C-O 120.759 0.314 . . . . 0.0 111.227 179.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 11' ' ' LEU . . . . . 0.65 ' HG ' ' HA2' ' F' ' 8' ' ' GLY . 14.4 mt -69.74 -21.92 63.41 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 107.209 -1.404 . . . . 0.0 107.209 176.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' F' F ' 12' ' ' VAL . . . . . 0.45 HG21 HG21 ' H' ' 12' ' ' VAL . 11.9 m -68.0 -46.36 81.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 CA-C-N 114.546 -1.206 . . . . 0.0 111.461 179.328 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' F' F ' 13' ' ' GLU . . . . . 0.677 ' HG2' ' HB3' ' H' ' 9' ' ' SER . 18.8 mt-10 -63.21 -29.48 70.81 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 178.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' F' F ' 14' ' ' ALA . . . . . 0.422 ' HB1' ' HG ' ' L' ' 17' ' ' LEU . . . -69.25 -52.84 23.63 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.429 177.388 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' F' F ' 15' ' ' LEU . . . . . 0.715 HD23 ' HB3' ' E' ' 16' ' ' LEU . 91.1 mt -58.12 -39.12 77.89 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.97 178.537 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' F' F ' 16' ' ' TYR . . . . . 0.491 ' CD2' ' HE2' ' F' ' 24' ' ' PHE . 0.4 OUTLIER -54.78 -37.97 66.67 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.019 -0.991 . . . . 0.0 110.851 179.895 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' F' F ' 17' ' ' LEU . . . . . 0.415 HD13 ' HA ' ' F' ' 17' ' ' LEU . 4.0 mm? -80.72 -44.17 19.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.501 179.196 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . 0.407 HG23 ' O ' ' F' ' 14' ' ' ALA . 89.3 t -58.61 -48.15 86.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.487 179.57 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' F' F ' 19' ' ' CYS . . . . . 0.631 ' HB3' ' HB2' ' F' ' 22' ' ' ARG . 69.4 m -72.44 -28.02 62.68 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.979 179.077 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' F' F ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.39 -99.37 0.33 Allowed Glycine 0 N--CA 1.452 -0.273 0 CA-C-N 115.563 -0.744 . . . . 0.0 113.763 178.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 21' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -92.44 6.81 45.68 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.115 0.483 . . . . 0.0 110.743 -178.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 22' ' ' ARG . . . . . 0.631 ' HB2' ' HB3' ' F' ' 19' ' ' CYS . 46.6 mtt85 -104.44 173.84 6.13 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.751 -0.658 . . . . 0.0 109.857 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' F' F ' 23' ' ' GLY . . . . . 0.729 ' HA2' ' HD2' ' H' ' 28' ' ' PRO . . . -99.27 -172.29 31.06 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.385 -0.912 . . . . 0.0 111.051 178.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' F' F ' 24' ' ' PHE . . . . . 0.491 ' HE2' ' CD2' ' F' ' 16' ' ' TYR . 4.9 p90 -156.37 149.01 23.73 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.213 0.53 . . . . 0.0 110.473 178.787 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' F' F ' 25' ' ' PHE . . . . . . . . . . . . . 8.0 p90 -114.44 117.78 31.96 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 179.059 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 26' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -106.31 120.24 41.35 Favored 'General case' 0 N--CA 1.445 -0.687 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.175 -179.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 27' ' ' THR . . . . . . . . . . . . . 2.8 p -123.2 88.51 51.19 Favored Pre-proline 0 C--N 1.318 -0.77 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 -178.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 28' ' ' PRO . . . . . 0.71 ' HD2' ' HA2' ' H' ' 23' ' ' GLY . 93.5 Cg_endo -82.39 11.53 3.15 Favored 'Trans proline' 0 N--CA 1.46 -0.487 0 C-N-CA 122.614 2.209 . . . . 0.0 109.676 177.418 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' F' F ' 29' ' ' LYS . . . . . . . . . . . . . 68.3 tttt -109.41 126.87 53.91 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 114.049 -1.432 . . . . 0.0 109.819 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 30' ' ' THR . . . . . . . . . . . . . 9.2 t . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.625 -0.702 . . . . 0.0 109.566 179.742 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' G' G ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.887 0 N-CA-C 111.507 -0.637 . . . . 0.0 111.507 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' G' G ' 2' ' ' ILE . . . . . . . . . . . . . 11.6 tt -82.25 -36.17 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 120.736 0.303 . . . . 0.0 111.332 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' G' G ' 3' ' ' VAL . . . . . 0.544 HG11 ' HG3' ' H' ' 4' ' ' GLN . 87.6 t -62.31 -58.84 5.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.856 0.36 . . . . 0.0 110.697 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' G' G ' 4' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -79.98 61.6 3.92 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.706 0.765 . . . . 0.0 110.847 179.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' G' G ' 5' ' ' GLN . . . . . 0.462 ' HG2' ' SG ' ' G' ' 11' ' ' CYS . 32.6 tt0 -172.19 -44.84 0.02 OUTLIER 'General case' 0 C--N 1.31 -1.146 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' G' G ' 6' ' ' CYS . . . . . . . . . . . . . 95.5 m -87.99 -39.64 14.52 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.653 -1.158 . . . . 0.0 111.109 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' G' G ' 7' ' ' CYS . . . . . . . . . . . . . 79.4 m -91.05 17.2 8.31 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.165 0.507 . . . . 0.0 110.107 178.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' G' G ' 8' ' ' THR . . . . . . . . . . . . . 22.8 m -103.82 -45.89 4.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.435 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' G' G ' 9' ' ' SER . . . . . . . . . . . . . 3.6 p -156.43 22.78 0.35 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.802 179.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' G' G ' 10' ' ' ILE . . . . . 0.446 HD11 ' HA ' ' D' ' 2' ' ' VAL . 2.3 mp 70.1 125.84 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.726 179.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' G' G ' 11' ' ' CYS . . . . . 0.462 ' SG ' ' HG2' ' G' ' 5' ' ' GLN . 81.1 m -81.77 146.93 29.69 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.071 179.691 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' G' G ' 12' ' ' SER . . . . . 0.437 ' HB2' ' HG3' ' G' ' 15' ' ' GLN . 14.7 m -75.58 151.77 37.81 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 178.372 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' G' G ' 13' ' ' LEU . . . . . 0.92 HD11 HD11 ' A' ' 13' ' ' LEU . 7.3 tt -52.4 -47.37 66.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 123.378 0.424 . . . . 0.0 112.039 -178.667 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -66.11 -22.15 66.38 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 -179.058 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' G' G ' 15' ' ' GLN . . . . . 0.437 ' HG3' ' HB2' ' G' ' 12' ' ' SER . 25.7 mt-30 -77.18 -27.23 53.58 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.188 0.518 . . . . 0.0 109.868 178.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' G' G ' 16' ' ' LEU . . . . . 0.713 ' HB3' HD23 ' H' ' 15' ' ' LEU . 85.6 mt -78.62 -24.47 45.3 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.262 -179.594 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' G' G ' 17' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -61.04 -23.48 65.47 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.807 -179.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' G' G ' 18' ' ' ASN . . . . . . . . . . . . . 68.4 m-20 -80.81 -4.17 53.7 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.485 -179.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' G' G ' 19' ' ' TYR . . . . . . . . . . . . . 17.5 m-30 -105.47 14.36 28.78 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.969 0.414 . . . . 0.0 111.215 -178.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' G' G ' 20' ' ' CYS . . . . . . . . . . . . . 77.4 m -85.28 154.23 22.06 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.158 179.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' G' G ' 21' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 . . . . . 0 C--O 1.253 1.255 0 CA-C-O 118.498 -0.763 . . . . 0.0 109.45 179.659 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' H' H ' 1' ' ' PHE . . . . . . . . . . . . . 28.1 t80 . . . . . 0 N--CA 1.48 1.071 0 N-CA-C 111.528 0.195 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' H' H ' 2' ' ' VAL . . . . . 0.516 ' O ' ' HG ' ' H' ' 6' ' ' LEU . 16.0 m -67.64 -32.23 55.96 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.185 0 N-CA-C 112.856 0.687 . . . . 0.0 112.856 -178.192 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' H' H ' 3' ' ' ASN . . . . . 0.438 ' HA ' ' HB2' ' H' ' 6' ' ' LEU . 11.3 m-20 -62.89 -18.76 63.43 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-O 120.927 0.394 . . . . 0.0 110.822 179.443 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' H' H ' 4' ' ' GLN . . . . . 0.544 ' HG3' HG11 ' G' ' 3' ' ' VAL . 8.8 tt0 -68.24 -17.75 64.38 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-O 121.1 0.476 . . . . 0.0 109.884 178.557 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' H' H ' 5' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -118.14 11.4 13.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.433 0.635 . . . . 0.0 109.578 179.205 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' H' H ' 6' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' H' ' 2' ' ' VAL . 54.1 mt -126.04 -64.37 1.05 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.505 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' H' H ' 7' ' ' CYS . . . . . 0.457 ' HB2' HD13 ' D' ' 6' ' ' LEU . 2.9 t -62.59 -46.61 87.53 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.739 -1.119 . . . . 0.0 109.403 178.363 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' H' H ' 8' ' ' GLY . . . . . 0.649 ' HA2' ' HG ' ' H' ' 11' ' ' LEU . . . -59.05 -29.67 65.68 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.32 178.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' H' H ' 9' ' ' SER . . . . . 0.677 ' HB3' ' HG2' ' F' ' 13' ' ' GLU . 7.7 m -71.82 -1.12 12.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.706 0.289 . . . . 0.0 111.323 179.621 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' H' H ' 10' ' ' HIS . . . . . . . . . . . . . 70.1 m-70 -120.77 -10.82 9.1 Favored 'General case' 0 CA--C 1.509 -0.627 0 CA-C-O 120.763 0.316 . . . . 0.0 111.309 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' H' H ' 11' ' ' LEU . . . . . 0.649 ' HG ' ' HA2' ' H' ' 8' ' ' GLY . 14.3 mt -69.85 -21.77 63.32 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 176.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' H' H ' 12' ' ' VAL . . . . . 0.45 HG21 HG21 ' F' ' 12' ' ' VAL . 11.3 m -67.99 -46.44 81.81 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 CA-C-N 114.575 -1.193 . . . . 0.0 111.583 179.332 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' H' H ' 13' ' ' GLU . . . . . 0.677 ' HG2' ' HB3' ' F' ' 9' ' ' SER . 19.5 mt-10 -62.86 -29.82 71.04 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 178.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' H' H ' 14' ' ' ALA . . . . . 0.437 ' HB1' ' HG ' ' B' ' 17' ' ' LEU . . . -69.17 -52.66 25.81 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.445 177.428 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' H' H ' 15' ' ' LEU . . . . . 0.713 HD23 ' HB3' ' G' ' 16' ' ' LEU . 91.1 mt -57.83 -39.16 77.0 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.499 0.666 . . . . 0.0 110.092 178.539 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' H' H ' 16' ' ' TYR . . . . . 0.493 ' CD2' ' HE2' ' H' ' 24' ' ' PHE . 0.4 OUTLIER -54.85 -37.77 66.62 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.759 -1.11 . . . . 0.0 110.809 179.883 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' H' H ' 17' ' ' LEU . . . . . 0.428 ' HG ' ' HB1' ' B' ' 14' ' ' ALA . 4.1 mm? -81.42 -43.31 19.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.4 179.357 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . 0.407 HG23 ' O ' ' H' ' 14' ' ' ALA . 84.8 t -59.31 -48.19 87.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.5 179.602 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' H' H ' 19' ' ' CYS . . . . . 0.634 ' HB3' ' HB2' ' H' ' 22' ' ' ARG . 73.7 m -72.39 -28.76 63.19 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.833 179.07 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' H' H ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.39 -98.82 0.34 Allowed Glycine 0 N--CA 1.452 -0.235 0 CA-C-N 115.605 -0.725 . . . . 0.0 113.939 178.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' H' H ' 21' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -92.93 6.62 47.16 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.123 0.487 . . . . 0.0 110.781 -178.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' H' H ' 22' ' ' ARG . . . . . 0.634 ' HB2' ' HB3' ' H' ' 19' ' ' CYS . 48.7 mtt85 -104.46 173.71 6.19 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.705 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' H' H ' 23' ' ' GLY . . . . . 0.71 ' HA2' ' HD2' ' F' ' 28' ' ' PRO . . . -99.63 -171.95 30.53 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.408 -0.901 . . . . 0.0 111.184 178.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' H' H ' 24' ' ' PHE . . . . . 0.493 ' HE2' ' CD2' ' H' ' 16' ' ' TYR . 5.2 p90 -156.48 149.28 23.84 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.208 0.528 . . . . 0.0 110.437 178.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' H' H ' 25' ' ' PHE . . . . . . . . . . . . . 8.0 p90 -114.62 118.02 32.51 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 179.095 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' H' H ' 26' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -106.61 119.86 40.43 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.323 -179.125 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' H' H ' 27' ' ' THR . . . . . . . . . . . . . 3.8 p -122.86 89.3 50.41 Favored Pre-proline 0 C--N 1.318 -0.782 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -178.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' H' H ' 28' ' ' PRO . . . . . 0.729 ' HD2' ' HA2' ' F' ' 23' ' ' GLY . 86.3 Cg_endo -82.68 11.26 3.28 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.591 2.194 . . . . 0.0 109.73 177.406 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' H' H ' 29' ' ' LYS . . . . . . . . . . . . . 69.2 tttt -108.48 129.31 55.28 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 113.904 -1.498 . . . . 0.0 109.401 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' H' H ' 30' ' ' THR . . . . . . . . . . . . . 13.5 t . . . . . 0 C--O 1.248 0.986 0 CA-C-O 118.609 -0.71 . . . . 0.0 109.77 179.949 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' I' I ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.625 0 N-CA-C 111.412 -0.675 . . . . 0.0 111.412 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' I' I ' 2' ' ' ILE . . . . . . . . . . . . . 12.5 tt -81.9 -36.1 13.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.7 0.286 . . . . 0.0 111.31 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' I' I ' 3' ' ' VAL . . . . . 0.544 HG11 ' HG3' ' J' ' 4' ' ' GLN . 86.6 t -62.08 -59.21 4.68 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.968 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' I' I ' 4' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -79.72 59.72 3.16 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.674 0.749 . . . . 0.0 111.117 179.246 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' I' I ' 5' ' ' GLN . . . . . 0.447 ' HG2' ' SG ' ' I' ' 11' ' ' CYS . 31.4 tt0 -170.34 -44.27 0.02 OUTLIER 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 114.301 -1.318 . . . . 0.0 107.62 179.758 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' I' I ' 6' ' ' CYS . . . . . . . . . . . . . 96.0 m -88.57 -39.27 14.25 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 114.594 -1.184 . . . . 0.0 111.226 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' I' I ' 7' ' ' CYS . . . . . . . . . . . . . 79.7 m -91.8 17.57 8.89 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.176 0.512 . . . . 0.0 110.007 178.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' I' I ' 8' ' ' THR . . . . . . . . . . . . . 22.7 m -103.74 -45.92 4.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.536 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' I' I ' 9' ' ' SER . . . . . . . . . . . . . 3.7 p -156.28 22.26 0.36 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.702 179.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' I' I ' 10' ' ' ILE . . . . . 0.421 HD11 ' HA ' ' B' ' 2' ' ' VAL . 2.3 mp 70.39 127.7 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.399 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' I' I ' 11' ' ' CYS . . . . . 0.447 ' SG ' ' HG2' ' I' ' 5' ' ' GLN . 76.2 m -83.81 146.66 28.01 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.858 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' I' I ' 12' ' ' SER . . . . . . . . . . . . . 19.5 m -75.43 151.94 38.03 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 178.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' I' I ' 13' ' ' LEU . . . . . 0.937 HD11 HD11 ' C' ' 13' ' ' LEU . 7.3 tt -52.51 -47.64 66.5 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -178.57 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -65.55 -23.47 66.87 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -179.022 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -75.13 -28.98 60.4 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.104 0.478 . . . . 0.0 110.052 178.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' I' I ' 16' ' ' LEU . . . . . 0.708 ' HB3' HD23 ' J' ' 15' ' ' LEU . 84.9 mt -76.91 -24.71 52.47 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.48 -179.552 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' I' I ' 17' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -61.01 -22.59 64.68 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.868 0.366 . . . . 0.0 111.919 -179.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' I' I ' 18' ' ' ASN . . . . . . . . . . . . . 64.0 m-20 -81.77 -3.27 53.41 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.381 -178.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' I' I ' 19' ' ' TYR . . . . . . . . . . . . . 18.2 m-30 -106.46 14.25 27.44 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.942 0.401 . . . . 0.0 111.23 -178.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' I' I ' 20' ' ' CYS . . . . . . . . . . . . . 78.9 m -85.05 156.01 21.28 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.023 179.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' I' I ' 21' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 . . . . . 0 C--O 1.254 1.321 0 CA-C-O 118.222 -0.894 . . . . 0.0 109.585 179.722 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' J' J ' 1' ' ' PHE . . . . . . . . . . . . . 28.2 t80 . . . . . 0 N--CA 1.482 1.134 0 CA-C-O 120.669 0.271 . . . . 0.0 111.73 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' J' J ' 2' ' ' VAL . . . . . 0.526 ' O ' ' HG ' ' J' ' 6' ' ' LEU . 16.4 m -69.1 -32.12 52.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 -178.182 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' J' J ' 3' ' ' ASN . . . . . 0.423 ' HA ' ' HB2' ' J' ' 6' ' ' LEU . 10.8 m-20 -62.92 -18.68 63.4 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-O 121.031 0.443 . . . . 0.0 110.91 179.549 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' J' J ' 4' ' ' GLN . . . . . 0.544 ' HG3' HG11 ' I' ' 3' ' ' VAL . 8.7 tt0 -68.65 -17.06 64.02 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.216 0.531 . . . . 0.0 109.86 178.49 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' J' J ' 5' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -118.73 11.06 12.61 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.383 0.611 . . . . 0.0 109.598 179.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' J' J ' 6' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' J' ' 2' ' ' VAL . 53.8 mt -125.68 -64.4 1.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.388 179.712 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' J' J ' 7' ' ' CYS . . . . . 0.436 ' HB2' HD13 ' B' ' 6' ' ' LEU . 3.4 t -62.11 -46.67 88.03 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.745 -1.116 . . . . 0.0 109.385 178.16 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' J' J ' 8' ' ' GLY . . . . . 0.623 ' HA2' ' HG ' ' J' ' 11' ' ' LEU . . . -58.73 -29.92 65.07 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.315 178.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' J' J ' 9' ' ' SER . . . . . 0.701 ' HB3' ' HG2' ' L' ' 13' ' ' GLU . 8.2 m -71.74 -1.44 13.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.717 0.294 . . . . 0.0 111.337 179.746 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' J' J ' 10' ' ' HIS . . . . . . . . . . . . . 71.4 m-70 -120.59 -10.85 9.16 Favored 'General case' 0 CA--C 1.509 -0.62 0 CA-C-O 120.823 0.344 . . . . 0.0 111.277 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' J' J ' 11' ' ' LEU . . . . . 0.623 ' HG ' ' HA2' ' J' ' 8' ' ' GLY . 13.5 mt -69.97 -21.49 63.24 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 176.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' J' J ' 12' ' ' VAL . . . . . 0.448 ' O ' ' HB2' ' J' ' 16' ' ' TYR . 12.1 m -68.24 -46.1 81.67 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 CA-C-N 114.713 -1.131 . . . . 0.0 111.583 179.32 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' J' J ' 13' ' ' GLU . . . . . 0.71 ' HG2' ' HB3' ' L' ' 9' ' ' SER . 19.2 mt-10 -63.28 -29.52 70.83 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 178.776 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' J' J ' 14' ' ' ALA . . . . . 0.428 ' HB1' ' HG ' ' D' ' 17' ' ' LEU . . . -69.25 -52.99 22.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.438 177.39 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' J' J ' 15' ' ' LEU . . . . . 0.708 HD23 ' HB3' ' I' ' 16' ' ' LEU . 94.1 mt -57.78 -39.1 76.69 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.051 178.512 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' J' J ' 16' ' ' TYR . . . . . 0.497 ' CD2' ' HE2' ' J' ' 24' ' ' PHE . 0.5 OUTLIER -54.74 -38.17 66.81 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.829 -1.078 . . . . 0.0 110.948 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' J' J ' 17' ' ' LEU . . . . . 0.406 HD13 ' HA ' ' J' ' 17' ' ' LEU . 4.0 mm? -81.03 -43.44 19.56 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.583 179.214 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' J' J ' 18' ' ' VAL . . . . . 0.413 HG23 ' O ' ' J' ' 14' ' ' ALA . 84.3 t -59.08 -47.49 89.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.557 179.504 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' J' J ' 19' ' ' CYS . . . . . 0.626 ' HB3' ' HB2' ' J' ' 22' ' ' ARG . 73.4 m -73.17 -29.17 62.66 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.776 179.027 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' J' J ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.34 -99.75 0.41 Allowed Glycine 0 N--CA 1.451 -0.346 0 CA-C-N 115.517 -0.765 . . . . 0.0 113.772 178.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' J' J ' 21' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -91.11 4.43 52.19 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.25 0.548 . . . . 0.0 110.935 -178.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' J' J ' 22' ' ' ARG . . . . . 0.626 ' HB2' ' HB3' ' J' ' 19' ' ' CYS . 49.0 mtt85 -102.43 174.68 5.8 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.027 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' J' J ' 23' ' ' GLY . . . . . 0.726 ' HA2' ' HD2' ' L' ' 28' ' ' PRO . . . -100.36 -171.79 29.57 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.411 -0.9 . . . . 0.0 111.139 179.052 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' J' J ' 24' ' ' PHE . . . . . 0.497 ' HE2' ' CD2' ' J' ' 16' ' ' TYR . 5.0 p90 -156.65 149.31 23.61 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.189 0.519 . . . . 0.0 110.274 178.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' J' J ' 25' ' ' PHE . . . . . . . . . . . . . 8.0 p90 -114.6 117.69 31.6 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 179.064 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' J' J ' 26' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -106.09 120.08 40.88 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.316 -179.24 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' J' J ' 27' ' ' THR . . . . . . . . . . . . . 3.9 p -122.87 88.99 50.49 Favored Pre-proline 0 C--N 1.323 -0.579 0 N-CA-C 112.818 0.674 . . . . 0.0 112.818 -178.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' J' J ' 28' ' ' PRO . . . . . 0.719 ' HD2' ' HA2' ' L' ' 23' ' ' GLY . 90.2 Cg_endo -82.65 11.8 3.1 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.745 2.297 . . . . 0.0 109.658 177.349 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' J' J ' 29' ' ' LYS . . . . . . . . . . . . . 69.8 tttt -109.06 130.53 55.48 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.038 -1.437 . . . . 0.0 109.227 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' J' J ' 30' ' ' THR . . . . . . . . . . . . . 11.6 t . . . . . 0 C--O 1.246 0.914 0 CA-C-O 118.696 -0.669 . . . . 0.0 109.589 -179.951 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.754 0 N-CA-C 111.461 -0.656 . . . . 0.0 111.461 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' K' K ' 2' ' ' ILE . . . . . . . . . . . . . 11.9 tt -81.37 -35.65 14.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.58 0.229 . . . . 0.0 111.413 -179.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' K' K ' 3' ' ' VAL . . . . . 0.529 HG11 ' HG3' ' L' ' 4' ' ' GLN . 98.0 t -62.87 -59.62 4.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.894 0.378 . . . . 0.0 110.668 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' K' K ' 4' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -78.77 58.95 2.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.5 0.667 . . . . 0.0 111.27 179.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' K' K ' 5' ' ' GLN . . . . . 0.427 ' HG2' ' SG ' ' K' ' 11' ' ' CYS . 32.0 tt0 -170.02 -43.37 0.02 OUTLIER 'General case' 0 C--N 1.311 -1.07 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' K' K ' 6' ' ' CYS . . . . . . . . . . . . . 92.3 m -89.09 -39.47 13.61 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.634 -1.167 . . . . 0.0 111.142 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' K' K ' 7' ' ' CYS . . . . . . . . . . . . . 80.6 m -91.73 17.96 8.26 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.103 0.478 . . . . 0.0 110.017 178.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' K' K ' 8' ' ' THR . . . . . . . . . . . . . 24.5 m -104.39 -44.71 4.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.523 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' K' K ' 9' ' ' SER . . . . . . . . . . . . . 4.9 p -157.77 22.59 0.27 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.706 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' K' K ' 10' ' ' ILE . . . . . 0.416 HD11 ' HA ' ' H' ' 2' ' ' VAL . 2.3 mp 69.81 127.41 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.619 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' K' K ' 11' ' ' CYS . . . . . 0.427 ' SG ' ' HG2' ' K' ' 5' ' ' GLN . 82.2 m -83.48 145.88 28.69 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.964 179.724 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' K' K ' 12' ' ' SER . . . . . 0.417 ' HB2' ' HG3' ' K' ' 15' ' ' GLN . 18.8 m -74.84 152.14 38.96 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 178.429 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' K' K ' 13' ' ' LEU . . . . . 0.916 HD11 HD11 ' E' ' 13' ' ' LEU . 7.3 tt -52.92 -46.89 68.29 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -178.521 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -66.09 -22.71 66.42 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -178.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' K' K ' 15' ' ' GLN . . . . . 0.417 ' HG3' ' HB2' ' K' ' 12' ' ' SER . 25.7 mt-30 -76.14 -28.83 57.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.089 0.471 . . . . 0.0 109.99 178.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' K' K ' 16' ' ' LEU . . . . . 0.703 ' HB3' HD23 ' L' ' 15' ' ' LEU . 85.5 mt -77.2 -24.21 51.38 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.584 -179.655 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' K' K ' 17' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -61.94 -21.98 65.23 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.884 0.373 . . . . 0.0 111.926 -179.401 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' K' K ' 18' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -81.79 -3.44 53.89 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.282 -179.289 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' K' K ' 19' ' ' TYR . . . . . . . . . . . . . 17.4 m-30 -106.52 14.91 26.53 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.873 0.368 . . . . 0.0 111.039 -178.351 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' K' K ' 20' ' ' CYS . . . . . . . . . . . . . 75.2 m -86.01 154.65 21.29 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.911 179.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' K' K ' 21' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 . . . . . 0 C--O 1.251 1.173 0 CA-C-O 118.278 -0.868 . . . . 0.0 109.152 179.494 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' L' L ' 1' ' ' PHE . . . . . . . . . . . . . 28.9 t80 . . . . . 0 N--CA 1.482 1.151 0 N-CA-C 111.489 0.181 . . . . 0.0 111.489 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' L' L ' 2' ' ' VAL . . . . . 0.503 ' O ' ' HG ' ' L' ' 6' ' ' LEU . 15.3 m -67.49 -32.3 56.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 -178.279 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' L' L ' 3' ' ' ASN . . . . . 0.415 ' HA ' ' HB2' ' L' ' 6' ' ' LEU . 10.3 m-20 -62.69 -17.91 61.49 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-O 121.035 0.445 . . . . 0.0 110.884 179.576 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' L' L ' 4' ' ' GLN . . . . . 0.529 ' HG3' HG11 ' K' ' 3' ' ' VAL . 8.7 tt0 -69.76 -16.9 63.39 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.255 0.55 . . . . 0.0 109.826 178.596 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' L' L ' 5' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -118.73 11.56 12.76 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.439 0.638 . . . . 0.0 109.501 179.136 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' L' L ' 6' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' L' ' 2' ' ' VAL . 54.1 mt -126.19 -64.49 1.04 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.373 -0.831 . . . . 0.0 109.478 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' L' L ' 7' ' ' CYS . . . . . 0.44 ' HB2' HD13 ' H' ' 6' ' ' LEU . 2.9 t -62.41 -46.63 87.73 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.758 -1.11 . . . . 0.0 109.305 178.498 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' L' L ' 8' ' ' GLY . . . . . 0.655 ' HA2' ' HG ' ' L' ' 11' ' ' LEU . . . -59.0 -29.69 65.55 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.231 179.069 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' L' L ' 9' ' ' SER . . . . . 0.71 ' HB3' ' HG2' ' J' ' 13' ' ' GLU . 7.4 m -71.97 -0.62 12.0 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.602 0.239 . . . . 0.0 111.256 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' L' L ' 10' ' ' HIS . . . . . . . . . . . . . 69.1 m-70 -121.22 -11.12 8.87 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-O 120.88 0.372 . . . . 0.0 111.216 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' L' L ' 11' ' ' LEU . . . . . 0.655 ' HG ' ' HA2' ' L' ' 8' ' ' GLY . 13.9 mt -69.39 -21.77 63.75 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 176.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' L' L ' 12' ' ' VAL . . . . . 0.437 ' O ' ' HB2' ' L' ' 16' ' ' TYR . 12.2 m -68.29 -46.16 81.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-N 114.543 -1.208 . . . . 0.0 111.521 179.43 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' L' L ' 13' ' ' GLU . . . . . 0.701 ' HG2' ' HB3' ' J' ' 9' ' ' SER . 19.0 mt-10 -63.18 -29.56 70.88 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 178.714 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' L' L ' 14' ' ' ALA . . . . . 0.412 ' O ' HG23 ' L' ' 18' ' ' VAL . . . -69.23 -52.95 22.68 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.424 177.442 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' L' L ' 15' ' ' LEU . . . . . 0.703 HD23 ' HB3' ' K' ' 16' ' ' LEU . 91.3 mt -57.82 -39.22 77.11 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.915 178.621 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' L' L ' 16' ' ' TYR . . . . . 0.486 ' CD2' ' HE2' ' L' ' 24' ' ' PHE . 0.4 OUTLIER -54.85 -37.78 66.63 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.843 179.933 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' L' L ' 17' ' ' LEU . . . . . 0.422 ' HG ' ' HB1' ' F' ' 14' ' ' ALA . 4.0 mm? -81.22 -43.62 18.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.469 179.18 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' L' L ' 18' ' ' VAL . . . . . 0.412 HG23 ' O ' ' L' ' 14' ' ' ALA . 85.9 t -59.15 -47.39 90.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.485 179.629 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' L' L ' 19' ' ' CYS . . . . . 0.631 ' HB3' ' HB2' ' L' ' 22' ' ' ARG . 70.9 m -73.15 -28.9 62.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.147 -0.478 . . . . 0.0 109.804 179.142 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' L' L ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.01 -98.56 0.37 Allowed Glycine 0 N--CA 1.452 -0.239 0 CA-C-N 115.511 -0.768 . . . . 0.0 113.964 178.325 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' L' L ' 21' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -93.66 6.92 46.7 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.408 0.623 . . . . 0.0 110.697 -178.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' L' L ' 22' ' ' ARG . . . . . 0.631 ' HB2' ' HB3' ' L' ' 19' ' ' CYS . 49.0 mtt85 -104.76 173.94 6.09 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.939 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' L' L ' 23' ' ' GLY . . . . . 0.719 ' HA2' ' HD2' ' J' ' 28' ' ' PRO . . . -99.57 -172.11 30.64 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.42 -0.895 . . . . 0.0 111.078 178.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' L' L ' 24' ' ' PHE . . . . . 0.486 ' HE2' ' CD2' ' L' ' 16' ' ' TYR . 4.9 p90 -156.33 149.66 24.46 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.154 0.502 . . . . 0.0 110.251 178.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' L' L ' 25' ' ' PHE . . . . . . . . . . . . . 8.0 p90 -114.91 118.35 33.24 Favored 'General case' 0 C--N 1.317 -0.848 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 179.098 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' L' L ' 26' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -106.82 119.89 40.54 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-O 120.97 0.414 . . . . 0.0 110.154 -179.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' L' L ' 27' ' ' THR . . . . . . . . . . . . . 3.1 p -122.75 88.65 50.16 Favored Pre-proline 0 C--N 1.323 -0.567 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 -178.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' L' L ' 28' ' ' PRO . . . . . 0.726 ' HD2' ' HA2' ' J' ' 23' ' ' GLY . 95.8 Cg_endo -82.44 11.11 3.3 Favored 'Trans proline' 0 N--CA 1.461 -0.424 0 C-N-CA 122.684 2.256 . . . . 0.0 109.703 177.661 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' L' L ' 29' ' ' LYS . . . . . . . . . . . . . 69.5 tttt . . . . . 0 C--N 1.318 -0.778 0 CA-C-N 113.916 -1.493 . . . . 0.0 109.377 -179.906 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.35 0 N-CA-C 111.838 -0.505 . . . . 0.0 111.838 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.6 tt -163.63 -43.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-O 120.641 0.258 . . . . 0.0 110.581 179.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.555 HG11 ' CD ' ' B' ' 4' ' ' GLN . 46.3 t -71.69 -75.57 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 C-N-CA 120.914 -0.314 . . . . 0.0 111.651 -179.194 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 79.0 tt0 -57.13 -33.64 67.58 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.893 0.378 . . . . 0.0 110.402 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -55.86 -40.02 72.32 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.543 179.291 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 70.9 m -101.84 -27.58 12.92 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -179.114 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.685 ' HB2' HD11 ' B' ' 11' ' ' LEU . 42.4 t -84.85 41.62 0.87 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.457 0.646 . . . . 0.0 111.015 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.9 t -127.79 -44.01 1.51 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 178.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.445 ' O ' ' HB ' ' A' ' 10' ' ' ILE . 52.7 m -158.06 19.57 0.25 Allowed 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 120.486 0.184 . . . . 0.0 110.691 179.197 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.581 ' CD1' ' H ' ' F' ' 3' ' ' ASN . 1.9 mp 73.16 136.54 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.499 0 C-N-CA 123.133 0.573 . . . . 0.0 111.202 -179.504 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 97.9 m -91.57 175.24 6.98 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.114 0.483 . . . . 0.0 111.042 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.0 m -79.68 161.96 25.51 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.162 178.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.91 -56.44 21.06 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.168 -178.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -66.64 -17.99 65.13 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.876 0.369 . . . . 0.0 111.417 -179.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.408 HE21 ' HB2' ' A' ' 15' ' ' GLN . 6.8 tt0 -71.26 -31.59 67.7 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.018 179.443 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.0 mt -74.94 -30.32 61.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.456 178.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -63.44 -16.78 61.58 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.168 -179.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -71.25 -12.83 61.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.893 0.378 . . . . 0.0 110.858 179.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -106.1 15.95 25.66 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.201 0.524 . . . . 0.0 110.807 -178.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 11.8 m -92.32 155.3 18.02 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.117 179.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 59.8 m-80 . . . . . 0 C--O 1.249 1.036 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.563 178.932 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 66.4 t80 . . . . . 0 N--CA 1.479 0.996 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . 0.504 ' HB ' HD11 ' I' ' 10' ' ' ILE . 10.3 m -116.31 169.93 6.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.837 179.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . 0.565 ' H ' ' CD1' ' I' ' 10' ' ' ILE . 3.1 t-20 -105.1 -170.28 1.73 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.646 -178.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . 0.56 ' OE1' ' HA ' ' B' ' 28' ' ' PRO . 5.3 tt0 -53.1 -34.8 58.25 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.067 179.39 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . 0.567 ' HB3' HG12 ' I' ' 10' ' ' ILE . 23.6 t60 -54.49 -18.56 4.43 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.604 -0.726 . . . . 0.0 112.626 -178.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 36.4 mt -124.81 -14.17 6.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.923 0.392 . . . . 0.0 110.983 178.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . 0.432 ' HB3' ' HA ' ' B' ' 4' ' ' GLN . 19.6 t -86.7 -40.27 15.23 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.928 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . 0.49 ' O ' HG22 ' B' ' 12' ' ' VAL . . . -60.74 -30.09 71.72 Favored Glycine 0 N--CA 1.451 -0.315 0 CA-C-N 116.075 -0.511 . . . . 0.0 113.869 -179.151 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . 0.975 ' HB2' ' HG2' ' D' ' 13' ' ' GLU . 27.2 p -61.63 -24.16 66.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.955 0.407 . . . . 0.0 111.397 -179.083 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -99.04 -17.13 18.42 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.899 0.381 . . . . 0.0 111.004 -179.109 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.685 HD11 ' HB2' ' A' ' 7' ' ' CYS . 71.9 mt -73.88 -38.8 64.3 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 177.636 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.49 HG22 ' O ' ' B' ' 8' ' ' GLY . 2.8 m -69.54 -28.93 39.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.145 179.18 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.995 ' HG2' ' HB2' ' D' ' 9' ' ' SER . 40.1 mt-10 -57.48 -46.7 83.4 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 121.18 0.514 . . . . 0.0 109.897 179.548 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.0 -29.94 58.35 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.877 179.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.486 HD12 ' HA ' ' B' ' 12' ' ' VAL . 14.2 mt -55.49 -58.85 6.07 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.77 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . 0.954 ' HB3' ' HE2' ' B' ' 24' ' ' PHE . 8.1 p90 -77.13 -16.79 59.02 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.027 -0.669 . . . . 0.0 111.077 -179.164 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.461 ' HB2' ' O ' ' B' ' 13' ' ' GLU . 9.4 tp -67.06 -42.99 83.8 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 178.495 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 78.7 t -79.21 -42.71 23.74 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 CA-C-N 114.819 -1.082 . . . . 0.0 109.385 178.361 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -86.99 51.53 2.27 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.724 179.584 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.9 127.54 38.82 Favored Glycine 0 N--CA 1.449 -0.493 0 CA-C-N 115.538 -0.756 . . . . 0.0 113.368 -178.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.511 ' HA ' ' O ' ' D' ' 28' ' ' PRO . 50.5 mt-10 62.22 30.57 17.65 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 123.402 0.681 . . . . 0.0 112.71 179.105 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 16.9 mtt180 -118.91 -103.23 0.41 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 177.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . 0.501 ' HA2' ' HD3' ' D' ' 28' ' ' PRO . . . 156.48 147.47 4.77 Favored Glycine 0 N--CA 1.445 -0.707 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.585 179.657 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . 0.954 ' HE2' ' HB3' ' B' ' 16' ' ' TYR . 32.3 p90 -146.61 178.87 7.96 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.727 0.299 . . . . 0.0 110.304 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -128.46 151.21 49.66 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 178.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 25.6 t80 -140.79 124.56 17.08 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.038 0.447 . . . . 0.0 110.782 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 8.1 p -119.92 111.87 35.43 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.841 179.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . 0.56 ' HA ' ' OE1' ' B' ' 4' ' ' GLN . 8.9 Cg_exo -71.98 70.64 2.91 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 123.239 2.626 . . . . 0.0 111.677 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -120.46 175.79 5.81 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.078 -179.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 12.8 t . . . . . 0 C--O 1.251 1.137 0 CA-C-O 118.903 -0.57 . . . . 0.0 109.483 179.587 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.361 0 N-CA-C 111.607 -0.597 . . . . 0.0 111.607 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 7.3 tt -165.93 -44.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-O 120.965 0.412 . . . . 0.0 110.814 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 3' ' ' VAL . . . . . 0.567 HG11 ' CD ' ' D' ' 4' ' ' GLN . 45.4 t -71.63 -75.34 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.424 -179.483 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 73.6 tt0 -57.21 -32.82 66.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.074 0.464 . . . . 0.0 110.679 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -57.35 -38.94 74.94 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.569 179.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 71.3 m -102.57 -27.37 12.79 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -179.049 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 7' ' ' CYS . . . . . 0.672 ' HB2' HD11 ' D' ' 11' ' ' LEU . 42.0 t -85.02 40.68 0.83 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.321 0.581 . . . . 0.0 110.977 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 8.4 t -126.75 -42.87 1.74 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 178.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 9' ' ' SER . . . . . 0.442 ' O ' ' HB ' ' C' ' 10' ' ' ILE . 59.2 m -159.23 19.89 0.19 Allowed 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.592 179.171 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . 0.576 HG12 ' HB3' ' L' ' 5' ' ' HIS . 1.9 mp 72.75 137.14 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 CA-C-O 121.277 0.56 . . . . 0.0 111.327 -179.386 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 99.6 m -92.41 174.95 7.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.972 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 7.0 m -79.46 160.96 26.38 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.135 179.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.09 -55.86 28.72 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.354 -179.298 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -67.1 -18.27 65.25 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.921 0.391 . . . . 0.0 111.415 -179.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -70.45 -32.36 69.9 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.93 179.185 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 96.2 mt -74.32 -30.44 62.06 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.699 179.026 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -63.62 -15.66 58.8 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.999 -179.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -72.12 -14.35 61.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.095 0.474 . . . . 0.0 110.795 179.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -104.78 15.96 26.89 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.219 0.533 . . . . 0.0 111.038 -178.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 11.7 m -91.78 156.94 17.18 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.287 179.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 55.8 m-80 . . . . . 0 C--O 1.244 0.779 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.558 179.024 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 66.1 t80 . . . . . 0 N--CA 1.481 1.116 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' D' D ' 2' ' ' VAL . . . . . 0.481 ' HB ' HD11 ' G' ' 10' ' ' ILE . 11.1 m -116.17 170.69 5.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 C-N-CA 120.316 -0.554 . . . . 0.0 110.959 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 3' ' ' ASN . . . . . 0.558 ' H ' ' CD1' ' G' ' 10' ' ' ILE . 2.9 t-20 -106.3 -171.48 1.9 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.666 -178.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 4' ' ' GLN . . . . . 0.569 ' OE1' ' HA ' ' D' ' 28' ' ' PRO . 5.2 tt0 -51.93 -34.37 41.52 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.279 179.401 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 5' ' ' HIS . . . . . 0.558 ' HB3' HG12 ' G' ' 10' ' ' ILE . 25.0 t60 -55.07 -18.62 5.63 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.799 -178.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 36.3 mt -124.28 -14.61 6.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.021 0.438 . . . . 0.0 111.081 178.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 7' ' ' CYS . . . . . 0.415 ' HB3' ' HA ' ' D' ' 4' ' ' GLN . 22.6 t -86.33 -40.33 15.57 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.256 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 8' ' ' GLY . . . . . 0.499 ' O ' HG22 ' D' ' 12' ' ' VAL . . . -60.66 -30.47 72.39 Favored Glycine 0 N--CA 1.451 -0.318 0 CA-C-N 116.014 -0.539 . . . . 0.0 113.728 -179.183 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 9' ' ' SER . . . . . 0.995 ' HB2' ' HG2' ' B' ' 13' ' ' GLU . 28.7 p -61.12 -24.38 66.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.91 0.386 . . . . 0.0 111.553 -179.155 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 10' ' ' HIS . . . . . 0.401 ' HA ' ' HG3' ' D' ' 13' ' ' GLU . 97.3 m-70 -98.94 -16.82 18.63 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.0 -179.238 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 11' ' ' LEU . . . . . 0.672 HD11 ' HB2' ' C' ' 7' ' ' CYS . 71.5 mt -74.23 -39.08 63.32 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.715 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 12' ' ' VAL . . . . . 0.499 HG22 ' O ' ' D' ' 8' ' ' GLY . 3.0 m -69.3 -28.68 39.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.443 179.116 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 13' ' ' GLU . . . . . 0.975 ' HG2' ' HB2' ' B' ' 9' ' ' SER . 40.8 mt-10 -57.78 -46.98 83.83 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-O 121.186 0.517 . . . . 0.0 109.85 179.444 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.35 -30.22 60.17 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.778 179.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 15' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' D' ' 12' ' ' VAL . 13.6 mt -55.5 -59.13 5.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.753 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 16' ' ' TYR . . . . . 0.963 ' HB3' ' HE2' ' D' ' 24' ' ' PHE . 8.4 p90 -76.75 -17.13 59.25 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.033 -0.667 . . . . 0.0 110.999 -179.253 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . 0.467 ' HB2' ' O ' ' D' ' 13' ' ' GLU . 8.8 tp -66.76 -42.7 85.74 Favored 'General case' 0 C--O 1.232 0.181 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 178.569 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 77.6 t -79.7 -43.06 23.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 114.901 -1.045 . . . . 0.0 109.281 178.163 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -86.14 50.76 2.05 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.165 179.623 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.82 127.89 41.86 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 115.499 -0.773 . . . . 0.0 113.347 -178.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 21' ' ' GLU . . . . . 0.523 ' HA ' ' O ' ' B' ' 28' ' ' PRO . 49.7 mt-10 61.91 29.69 17.9 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 179.142 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 22' ' ' ARG . . . . . . . . . . . . . 17.3 mtt180 -118.03 -102.54 0.42 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.093 0.473 . . . . 0.0 110.079 177.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 23' ' ' GLY . . . . . 0.498 ' HA2' ' HD3' ' B' ' 28' ' ' PRO . . . 156.09 146.98 4.6 Favored Glycine 0 N--CA 1.444 -0.79 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.508 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 24' ' ' PHE . . . . . 0.963 ' HE2' ' HB3' ' D' ' 16' ' ' TYR . 30.1 p90 -146.68 178.56 8.21 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.858 0.361 . . . . 0.0 110.149 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 25' ' ' PHE . . . . . . . . . . . . . 5.9 p90 -128.46 151.49 49.34 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.529 178.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 26' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -140.98 124.51 16.77 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.049 0.452 . . . . 0.0 110.952 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 27' ' ' THR . . . . . . . . . . . . . 15.0 p -120.03 112.3 34.95 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.718 179.143 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 28' ' ' PRO . . . . . 0.569 ' HA ' ' OE1' ' D' ' 4' ' ' GLN . 8.1 Cg_exo -71.83 69.9 2.89 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 123.384 2.722 . . . . 0.0 111.597 -179.716 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -120.91 173.71 7.07 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.048 -179.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 13.5 t . . . . . 0 C--O 1.248 1.01 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 179.586 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.605 0 N-CA-C 111.692 -0.563 . . . . 0.0 111.692 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' E' E ' 2' ' ' ILE . . . . . . . . . . . . . 7.0 tt -162.29 -43.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 120.787 0.327 . . . . 0.0 110.878 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 3' ' ' VAL . . . . . 0.578 HG11 ' CD ' ' F' ' 4' ' ' GLN . 43.4 t -71.52 -75.65 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.461 -179.168 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' E' E ' 4' ' ' GLU . . . . . . . . . . . . . 73.4 tt0 -57.3 -31.31 65.51 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 121.119 0.485 . . . . 0.0 110.655 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -58.71 -39.88 82.08 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.086 179.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 6' ' ' CYS . . . . . . . . . . . . . 71.2 m -101.51 -26.71 13.46 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -178.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 7' ' ' CYS . . . . . 0.657 ' HB2' HD11 ' F' ' 11' ' ' LEU . 42.2 t -85.51 40.14 0.82 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.238 0.542 . . . . 0.0 111.041 -179.575 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 9.7 t -126.52 -43.02 1.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 178.144 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 9' ' ' SER . . . . . 0.427 ' O ' ' HB ' ' E' ' 10' ' ' ILE . 73.3 m -158.93 20.45 0.2 Allowed 'General case' 0 CA--C 1.531 0.233 0 CA-C-O 120.578 0.227 . . . . 0.0 110.704 179.183 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' E' E ' 10' ' ' ILE . . . . . 0.557 ' CD1' ' H ' ' J' ' 3' ' ' ASN . 1.9 mp 72.03 136.36 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 C-N-CA 123.14 0.576 . . . . 0.0 111.408 -179.481 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' E' E ' 11' ' ' CYS . . . . . . . . . . . . . 98.4 m -90.88 176.71 6.52 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.116 0.484 . . . . 0.0 111.147 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 12' ' ' SER . . . . . . . . . . . . . 5.7 m -80.96 161.69 24.2 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.91 178.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.14 -56.02 25.59 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.28 -179.191 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -67.03 -17.64 65.0 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.986 0.422 . . . . 0.0 111.228 -179.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -71.43 -31.47 67.25 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.965 179.109 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 16' ' ' LEU . . . . . . . . . . . . . 96.0 mt -75.12 -30.32 60.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.477 178.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 17' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -63.69 -16.01 59.92 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.923 -0.58 . . . . 0.0 112.066 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 18' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -72.14 -14.03 61.72 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.973 0.416 . . . . 0.0 110.71 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 19' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -104.91 16.14 26.49 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.217 0.532 . . . . 0.0 110.903 -178.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 20' ' ' CYS . . . . . . . . . . . . . 11.0 m -91.97 155.94 17.79 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.494 -0.775 . . . . 0.0 111.033 179.476 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 21' ' ' ASN . . . . . . . . . . . . . 56.6 m-80 . . . . . 0 C--O 1.247 0.959 0 CA-C-N 115.723 -0.672 . . . . 0.0 109.39 178.667 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' F' F ' 1' ' ' PHE . . . . . . . . . . . . . 66.6 t80 . . . . . 0 N--CA 1.482 1.175 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' F' F ' 2' ' ' VAL . . . . . 0.49 ' HB ' HD11 ' A' ' 10' ' ' ILE . 11.3 m -115.19 171.62 4.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 C-N-CA 120.462 -0.495 . . . . 0.0 111.053 179.646 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' F' F ' 3' ' ' ASN . . . . . 0.581 ' H ' ' CD1' ' A' ' 10' ' ' ILE . 3.5 t-20 -107.1 -171.5 1.9 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.552 -178.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' F' F ' 4' ' ' GLN . . . . . 0.578 ' CD ' HG11 ' E' ' 3' ' ' VAL . 5.3 tt0 -52.06 -34.14 42.25 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 123.032 0.533 . . . . 0.0 111.153 179.28 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' F' F ' 5' ' ' HIS . . . . . 0.559 ' HB3' HG12 ' A' ' 10' ' ' ILE . 22.9 t60 -55.25 -18.34 5.99 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.747 -0.661 . . . . 0.0 112.646 -178.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' F' F ' 6' ' ' LEU . . . . . . . . . . . . . 37.7 mt -124.98 -13.88 6.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.938 0.399 . . . . 0.0 111.037 178.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 7' ' ' CYS . . . . . 0.432 ' HB3' ' HA ' ' F' ' 4' ' ' GLN . 17.3 t -87.06 -40.06 15.03 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.003 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' F' F ' 8' ' ' GLY . . . . . 0.504 ' O ' HG22 ' F' ' 12' ' ' VAL . . . -60.71 -30.34 72.26 Favored Glycine 0 C--N 1.331 0.254 0 CA-C-N 115.937 -0.574 . . . . 0.0 113.762 -179.136 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' F' F ' 9' ' ' SER . . . . . 0.978 ' HB2' ' HG2' ' H' ' 13' ' ' GLU . 25.9 p -61.45 -24.18 66.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.952 0.406 . . . . 0.0 111.427 -178.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' F' F ' 10' ' ' HIS . . . . . 0.41 ' HA ' ' HG3' ' F' ' 13' ' ' GLU . 96.5 m-70 -99.07 -17.18 18.37 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.009 -179.09 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' F' F ' 11' ' ' LEU . . . . . 0.657 HD11 ' HB2' ' E' ' 7' ' ' CYS . 70.5 mt -73.68 -39.25 64.53 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 177.547 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' F' F ' 12' ' ' VAL . . . . . 0.504 HG22 ' O ' ' F' ' 8' ' ' GLY . 2.9 m -69.1 -28.89 40.95 Favored 'Isoleucine or valine' 0 C--O 1.232 0.137 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.302 179.236 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' F' F ' 13' ' ' GLU . . . . . 0.977 ' HG2' ' HB2' ' H' ' 9' ' ' SER . 40.5 mt-10 -57.61 -47.23 82.77 Favored 'General case' 0 CA--C 1.521 -0.151 0 CA-C-O 121.187 0.517 . . . . 0.0 109.883 179.375 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' F' F ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.13 -29.98 60.69 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.882 179.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 15' ' ' LEU . . . . . 0.484 HD12 ' HA ' ' F' ' 12' ' ' VAL . 13.7 mt -55.74 -59.17 5.24 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.867 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' F' F ' 16' ' ' TYR . . . . . 0.946 ' HB3' ' HE2' ' F' ' 24' ' ' PHE . 8.4 p90 -76.72 -17.03 59.33 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 119.91 -0.716 . . . . 0.0 111.02 -179.4 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' F' F ' 17' ' ' LEU . . . . . 0.463 ' HB2' ' O ' ' F' ' 13' ' ' GLU . 9.1 tp -66.96 -42.36 85.3 Favored 'General case' 0 C--O 1.23 0.062 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 178.722 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 79.8 t -79.83 -42.68 22.53 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 CA-C-N 114.925 -1.034 . . . . 0.0 109.346 178.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -87.13 51.87 2.36 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.977 179.689 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' F' F ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.89 129.77 41.78 Favored Glycine 0 N--CA 1.446 -0.666 0 CA-C-N 115.4 -0.818 . . . . 0.0 113.443 -178.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 21' ' ' GLU . . . . . 0.507 ' HA ' ' O ' ' H' ' 28' ' ' PRO . 52.8 mt-10 60.67 29.48 19.04 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 179.238 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' F' F ' 22' ' ' ARG . . . . . . . . . . . . . 18.5 mtt180 -118.38 -104.09 0.41 Allowed 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 178.012 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 23' ' ' GLY . . . . . 0.509 ' HA2' ' HD3' ' H' ' 28' ' ' PRO . . . 157.48 147.86 4.93 Favored Glycine 0 N--CA 1.446 -0.664 0 N-CA-C 111.558 -0.617 . . . . 0.0 111.558 179.695 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' F' F ' 24' ' ' PHE . . . . . 0.946 ' HE2' ' HB3' ' F' ' 16' ' ' TYR . 29.8 p90 -147.32 178.41 8.43 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.771 0.32 . . . . 0.0 110.199 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' F' F ' 25' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -128.05 152.01 48.47 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 178.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 26' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -141.49 125.01 16.69 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.976 0.417 . . . . 0.0 110.673 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 27' ' ' THR . . . . . 0.434 ' HA ' ' HD3' ' F' ' 28' ' ' PRO . 10.3 p -120.34 111.36 35.14 Favored Pre-proline 0 C--N 1.318 -0.761 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.908 179.373 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' F' F ' 28' ' ' PRO . . . . . 0.553 ' HA ' ' OE1' ' F' ' 4' ' ' GLN . 9.0 Cg_exo -71.45 70.23 2.58 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 123.346 2.697 . . . . 0.0 111.64 -179.753 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' F' F ' 29' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -121.7 171.99 8.46 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.246 -179.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 30' ' ' THR . . . . . . . . . . . . . 13.2 t . . . . . 0 C--O 1.245 0.861 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 179.413 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' G' G ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.754 0 N-CA-C 111.654 -0.578 . . . . 0.0 111.654 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' G' G ' 2' ' ' ILE . . . . . . . . . . . . . 7.0 tt -164.79 -43.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.011 0.434 . . . . 0.0 111.035 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' G' G ' 3' ' ' VAL . . . . . 0.572 HG11 ' CD ' ' H' ' 4' ' ' GLN . 45.1 t -72.08 -73.67 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 122.225 -0.297 . . . . 0.0 111.612 -179.495 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' G' G ' 4' ' ' GLU . . . . . . . . . . . . . 75.9 tt0 -59.34 -31.7 69.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.083 0.468 . . . . 0.0 110.413 -179.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' G' G ' 5' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -57.97 -39.28 77.78 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.235 179.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' G' G ' 6' ' ' CYS . . . . . . . . . . . . . 71.1 m -102.43 -26.23 13.34 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -178.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' G' G ' 7' ' ' CYS . . . . . 0.68 ' HB2' HD11 ' H' ' 11' ' ' LEU . 41.9 t -86.07 40.85 0.89 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.249 0.547 . . . . 0.0 110.846 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' G' G ' 8' ' ' THR . . . . . . . . . . . . . 8.4 t -126.84 -43.57 1.69 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 178.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' G' G ' 9' ' ' SER . . . . . 0.436 ' O ' ' HB ' ' G' ' 10' ' ' ILE . 69.6 m -158.56 19.96 0.22 Allowed 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.707 -0.224 . . . . 0.0 110.699 179.19 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' G' G ' 10' ' ' ILE . . . . . 0.558 ' CD1' ' H ' ' D' ' 3' ' ' ASN . 1.9 mp 72.92 137.09 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 C-N-CA 123.181 0.593 . . . . 0.0 111.251 -179.407 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' G' G ' 11' ' ' CYS . . . . . . . . . . . . . 97.8 m -91.83 175.92 6.71 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.064 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' G' G ' 12' ' ' SER . . . . . . . . . . . . . 6.2 m -80.47 161.87 24.66 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.937 178.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' G' G ' 13' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.22 -56.03 25.36 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.798 0.332 . . . . 0.0 111.244 -178.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -67.13 -16.79 64.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.851 0.358 . . . . 0.0 111.259 -179.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' G' G ' 15' ' ' GLN . . . . . 0.421 HE21 ' HB2' ' G' ' 15' ' ' GLN . 6.6 tt0 -72.02 -32.42 67.14 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.8 179.27 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' G' G ' 16' ' ' LEU . . . . . . . . . . . . . 96.0 mt -74.26 -30.91 62.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.61 178.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' G' G ' 17' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -62.73 -17.47 60.86 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.965 -179.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' G' G ' 18' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -70.55 -13.88 62.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.858 179.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' G' G ' 19' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -105.35 15.58 27.04 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.21 0.528 . . . . 0.0 110.832 -178.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' G' G ' 20' ' ' CYS . . . . . . . . . . . . . 12.8 m -91.37 155.1 18.73 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.179 179.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' G' G ' 21' ' ' ASN . . . . . . . . . . . . . 61.9 m-80 . . . . . 0 C--O 1.249 1.063 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.907 179.187 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' H' H ' 1' ' ' PHE . . . . . . . . . . . . . 67.6 t80 . . . . . 0 N--CA 1.482 1.157 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' H' H ' 2' ' ' VAL . . . . . 0.47 ' HB ' HD11 ' K' ' 10' ' ' ILE . 10.1 m -116.44 170.42 6.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.957 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' H' H ' 3' ' ' ASN . . . . . 0.555 ' H ' ' CD1' ' K' ' 10' ' ' ILE . 3.1 t-20 -105.73 -169.78 1.64 Allowed 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.896 -178.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' H' H ' 4' ' ' GLN . . . . . 0.572 ' CD ' HG11 ' G' ' 3' ' ' VAL . 5.3 tt0 -53.54 -34.77 59.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.072 179.395 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' H' H ' 5' ' ' HIS . . . . . 0.563 ' HB3' HG12 ' K' ' 10' ' ' ILE . 23.7 t60 -54.33 -18.66 4.28 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.681 -0.69 . . . . 0.0 112.783 -179.083 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' H' H ' 6' ' ' LEU . . . . . 0.403 ' HA ' HD23 ' H' ' 6' ' ' LEU . 35.8 mt -124.67 -14.36 6.8 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.986 0.422 . . . . 0.0 110.941 178.795 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' H' H ' 7' ' ' CYS . . . . . 0.413 ' HB3' ' HA ' ' H' ' 4' ' ' GLN . 18.5 t -86.76 -40.29 15.15 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.146 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' H' H ' 8' ' ' GLY . . . . . 0.482 ' O ' HG22 ' H' ' 12' ' ' VAL . . . -60.65 -30.36 72.09 Favored Glycine 0 C--N 1.33 0.249 0 CA-C-N 116.061 -0.518 . . . . 0.0 113.764 -179.068 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' H' H ' 9' ' ' SER . . . . . 0.977 ' HB2' ' HG2' ' F' ' 13' ' ' GLU . 32.5 p -61.23 -24.47 66.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.021 0.438 . . . . 0.0 111.697 -179.091 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' H' H ' 10' ' ' HIS . . . . . 0.421 ' HA ' ' HG3' ' H' ' 13' ' ' GLU . 97.2 m-70 -98.79 -17.04 18.68 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.934 -179.248 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' H' H ' 11' ' ' LEU . . . . . 0.68 HD11 ' HB2' ' G' ' 7' ' ' CYS . 71.5 mt -73.67 -39.64 64.29 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 177.607 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' H' H ' 12' ' ' VAL . . . . . 0.482 HG22 ' O ' ' H' ' 8' ' ' GLY . 3.0 m -68.96 -28.57 40.07 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.305 179.255 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' H' H ' 13' ' ' GLU . . . . . 0.978 ' HG2' ' HB2' ' F' ' 9' ' ' SER . 39.1 mt-10 -57.73 -47.47 82.33 Favored 'General case' 0 CA--C 1.522 -0.118 0 CA-C-O 121.181 0.515 . . . . 0.0 109.743 179.527 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' H' H ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.13 -29.87 60.65 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.944 179.339 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' H' H ' 15' ' ' LEU . . . . . 0.48 HD12 ' HA ' ' H' ' 12' ' ' VAL . 13.6 mt -55.74 -59.01 5.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.8 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' H' H ' 16' ' ' TYR . . . . . 0.946 ' HB3' ' HE2' ' H' ' 24' ' ' PHE . 8.6 p90 -76.68 -17.57 59.05 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 119.832 -0.747 . . . . 0.0 110.95 -179.263 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' H' H ' 17' ' ' LEU . . . . . 0.458 ' HB2' ' O ' ' H' ' 13' ' ' GLU . 8.9 tp -66.14 -43.12 87.98 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 178.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 74.8 t -78.73 -45.0 25.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 114.876 -1.056 . . . . 0.0 109.097 178.115 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' H' H ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -84.76 51.47 2.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.068 -0.969 . . . . 0.0 110.31 179.589 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' H' H ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.1 127.98 38.98 Favored Glycine 0 N--CA 1.448 -0.515 0 CA-C-N 115.443 -0.799 . . . . 0.0 113.477 -178.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' H' H ' 21' ' ' GLU . . . . . 0.533 ' HA ' ' O ' ' F' ' 28' ' ' PRO . 53.1 mt-10 62.06 30.49 17.89 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 179.254 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' H' H ' 22' ' ' ARG . . . . . . . . . . . . . 17.6 mtt180 -119.15 -103.85 0.41 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 177.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' H' H ' 23' ' ' GLY . . . . . 0.48 ' HA2' ' HD3' ' F' ' 28' ' ' PRO . . . 156.94 147.36 4.75 Favored Glycine 0 N--CA 1.442 -0.917 0 N-CA-C 111.523 -0.631 . . . . 0.0 111.523 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' H' H ' 24' ' ' PHE . . . . . 0.946 ' HE2' ' HB3' ' H' ' 16' ' ' TYR . 30.5 p90 -146.67 179.38 7.6 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.791 0.329 . . . . 0.0 110.177 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' H' H ' 25' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -129.21 151.5 49.81 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.532 178.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' H' H ' 26' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -141.12 124.32 16.47 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.055 0.455 . . . . 0.0 110.989 -179.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' H' H ' 27' ' ' THR . . . . . . . . . . . . . 10.8 p -119.38 111.91 36.21 Favored Pre-proline 0 C--N 1.319 -0.731 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.806 179.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' H' H ' 28' ' ' PRO . . . . . 0.544 ' HA ' ' OE1' ' H' ' 4' ' ' GLN . 9.9 Cg_exo -71.87 70.65 2.83 Favored 'Trans proline' 0 N--CA 1.464 -0.248 0 C-N-CA 123.151 2.567 . . . . 0.0 111.341 -179.756 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' H' H ' 29' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -121.75 172.4 8.17 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.231 -179.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' H' H ' 30' ' ' THR . . . . . . . . . . . . . 14.7 t . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.787 -0.625 . . . . 0.0 109.549 179.882 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' I' I ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.008 0 N-CA-C 112.326 -0.31 . . . . 0.0 112.326 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' I' I ' 2' ' ' ILE . . . . . . . . . . . . . 7.0 tt -163.28 -43.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.36 0.124 . . . . 0.0 110.913 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' I' I ' 3' ' ' VAL . . . . . 0.579 HG11 ' CD ' ' J' ' 4' ' ' GLN . 44.8 t -70.81 -75.66 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.642 0.258 . . . . 0.0 111.442 -179.298 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' I' I ' 4' ' ' GLU . . . . . . . . . . . . . 74.4 tt0 -56.85 -34.43 67.78 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.941 0.4 . . . . 0.0 110.485 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' I' I ' 5' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -55.87 -38.99 70.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.439 179.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' I' I ' 6' ' ' CYS . . . . . . . . . . . . . 71.6 m -102.33 -27.89 12.57 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -179.083 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' I' I ' 7' ' ' CYS . . . . . 0.686 ' HB2' HD11 ' J' ' 11' ' ' LEU . 42.3 t -84.69 41.06 0.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.489 0.661 . . . . 0.0 110.925 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' I' I ' 8' ' ' THR . . . . . . . . . . . . . 7.7 t -127.18 -42.5 1.7 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 178.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' I' I ' 9' ' ' SER . . . . . 0.441 ' O ' ' HB ' ' I' ' 10' ' ' ILE . 72.5 m -160.01 20.47 0.16 Allowed 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 120.618 0.247 . . . . 0.0 110.566 179.111 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' I' I ' 10' ' ' ILE . . . . . 0.567 HG12 ' HB3' ' B' ' 5' ' ' HIS . 1.9 mp 72.44 138.37 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 C-N-CA 123.335 0.654 . . . . 0.0 111.471 -179.593 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' I' I ' 11' ' ' CYS . . . . . . . . . . . . . 99.1 m -93.18 175.53 6.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.992 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' I' I ' 12' ' ' SER . . . . . . . . . . . . . 10.4 m -79.48 162.05 25.68 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.908 179.013 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' I' I ' 13' ' ' LEU . . . . . 0.44 HD22 ' HA ' ' I' ' 13' ' ' LEU . 1.0 OUTLIER -61.22 -56.47 20.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.136 -179.344 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -66.52 -17.24 64.7 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.846 0.355 . . . . 0.0 111.411 -179.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -71.95 -31.86 66.73 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.765 -0.458 . . . . 0.0 109.765 179.33 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' I' I ' 16' ' ' LEU . . . . . . . . . . . . . 96.0 mt -74.81 -30.56 61.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.602 178.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' I' I ' 17' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -63.61 -15.23 57.62 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.881 -0.6 . . . . 0.0 112.058 -179.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' I' I ' 18' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -72.78 -14.19 61.48 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.956 0.407 . . . . 0.0 110.685 179.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' I' I ' 19' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -104.76 16.28 26.3 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.356 0.598 . . . . 0.0 110.799 -178.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' I' I ' 20' ' ' CYS . . . . . . . . . . . . . 11.3 m -92.07 155.31 18.16 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.254 179.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' I' I ' 21' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 . . . . . 0 C--O 1.246 0.892 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.568 178.918 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' J' J ' 1' ' ' PHE . . . . . . . . . . . . . 66.2 t80 . . . . . 0 N--CA 1.484 1.262 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' J' J ' 2' ' ' VAL . . . . . 0.515 ' HB ' HD11 ' E' ' 10' ' ' ILE . 10.7 m -115.77 170.1 5.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 C-N-CA 120.476 -0.489 . . . . 0.0 110.998 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' J' J ' 3' ' ' ASN . . . . . 0.557 ' H ' ' CD1' ' E' ' 10' ' ' ILE . 3.1 t-20 -105.75 -171.0 1.82 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.57 -178.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' J' J ' 4' ' ' GLN . . . . . 0.579 ' CD ' HG11 ' I' ' 3' ' ' VAL . 5.2 tt0 -52.2 -34.87 47.34 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 122.952 0.501 . . . . 0.0 111.2 179.368 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' J' J ' 5' ' ' HIS . . . . . 0.549 ' HB3' HG12 ' E' ' 10' ' ' ILE . 25.3 t60 -54.65 -18.28 4.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.74 -0.664 . . . . 0.0 112.554 -178.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' J' J ' 6' ' ' LEU . . . . . . . . . . . . . 33.7 mt -124.84 -14.52 6.68 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.964 0.411 . . . . 0.0 110.995 178.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' J' J ' 7' ' ' CYS . . . . . 0.414 ' HB3' ' HA ' ' J' ' 4' ' ' GLN . 23.3 t -86.5 -40.8 14.93 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.945 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' J' J ' 8' ' ' GLY . . . . . 0.502 ' O ' HG22 ' J' ' 12' ' ' VAL . . . -60.2 -30.3 70.46 Favored Glycine 0 N--CA 1.451 -0.329 0 CA-C-N 116.112 -0.495 . . . . 0.0 113.896 -179.082 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' J' J ' 9' ' ' SER . . . . . 0.981 ' HB2' ' HG2' ' L' ' 13' ' ' GLU . 25.9 p -61.59 -24.18 66.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.865 0.364 . . . . 0.0 111.499 -179.211 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' J' J ' 10' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -98.91 -17.08 18.55 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.055 0.455 . . . . 0.0 111.008 -179.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' J' J ' 11' ' ' LEU . . . . . 0.686 HD11 ' HB2' ' I' ' 7' ' ' CYS . 73.5 mt -73.87 -39.11 64.18 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.656 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' J' J ' 12' ' ' VAL . . . . . 0.502 HG22 ' O ' ' J' ' 8' ' ' GLY . 3.0 m -69.43 -28.41 38.07 Favored 'Isoleucine or valine' 0 C--O 1.232 0.158 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.386 179.15 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' J' J ' 13' ' ' GLU . . . . . 0.967 ' HG2' ' HB2' ' L' ' 9' ' ' SER . 40.8 mt-10 -57.99 -47.11 83.96 Favored 'General case' 0 CA--C 1.522 -0.134 0 CA-C-O 121.164 0.507 . . . . 0.0 109.853 179.351 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' J' J ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.4 -29.87 59.92 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.754 179.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' J' J ' 15' ' ' LEU . . . . . 0.468 HD12 ' HA ' ' J' ' 12' ' ' VAL . 13.7 mt -55.69 -59.14 5.27 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.76 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' J' J ' 16' ' ' TYR . . . . . 0.971 ' HB3' ' HE2' ' J' ' 24' ' ' PHE . 8.6 p90 -76.64 -17.66 59.03 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 119.932 -0.707 . . . . 0.0 110.955 -179.274 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' J' J ' 17' ' ' LEU . . . . . 0.472 ' HB2' ' O ' ' J' ' 13' ' ' GLU . 8.8 tp -66.54 -41.6 88.46 Favored 'General case' 0 C--O 1.232 0.179 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 178.743 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 82.1 t -80.75 -42.72 20.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 114.935 -1.03 . . . . 0.0 109.136 178.16 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' J' J ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -86.49 50.75 2.06 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.122 179.642 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' J' J ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.48 129.55 45.26 Favored Glycine 0 N--CA 1.448 -0.516 0 CA-C-N 115.575 -0.739 . . . . 0.0 113.259 -179.05 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' J' J ' 21' ' ' GLU . . . . . 0.522 ' HA ' ' O ' ' L' ' 28' ' ' PRO . 53.1 mt-10 59.63 30.34 19.96 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 179.29 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' J' J ' 22' ' ' ARG . . . . . . . . . . . . . 16.0 mtt180 -118.4 -104.09 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 177.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' J' J ' 23' ' ' GLY . . . . . 0.484 ' HA2' ' HD3' ' L' ' 28' ' ' PRO . . . 157.2 147.24 4.72 Favored Glycine 0 N--CA 1.444 -0.786 0 N-CA-C 111.539 -0.625 . . . . 0.0 111.539 179.561 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' J' J ' 24' ' ' PHE . . . . . 0.971 ' HE2' ' HB3' ' J' ' 16' ' ' TYR . 31.2 p90 -145.69 -179.51 6.73 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' J' J ' 25' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -130.41 150.86 51.45 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 178.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' J' J ' 26' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -140.54 125.24 18.07 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.124 0.487 . . . . 0.0 110.877 -179.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' J' J ' 27' ' ' THR . . . . . . . . . . . . . 12.8 p -120.45 111.86 34.63 Favored Pre-proline 0 C--N 1.32 -0.686 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.038 179.199 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' J' J ' 28' ' ' PRO . . . . . 0.574 ' HA ' ' OE1' ' J' ' 4' ' ' GLN . 8.9 Cg_exo -71.55 70.34 2.64 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 123.307 2.671 . . . . 0.0 111.438 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' J' J ' 29' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -121.54 172.92 7.73 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.039 -179.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' J' J ' 30' ' ' THR . . . . . . . . . . . . . 14.5 t . . . . . 0 C--O 1.25 1.128 0 CA-C-O 118.874 -0.584 . . . . 0.0 109.68 179.818 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.738 0 N-CA-C 112.184 -0.366 . . . . 0.0 112.184 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' K' K ' 2' ' ' ILE . . . . . . . . . . . . . 6.6 tt -164.2 -42.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-O 121.109 0.481 . . . . 0.0 110.968 179.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' K' K ' 3' ' ' VAL . . . . . 0.598 HG11 ' CD ' ' L' ' 4' ' ' GLN . 46.4 t -72.32 -73.93 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.565 -179.271 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' K' K ' 4' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -58.46 -33.81 70.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.02 0.438 . . . . 0.0 110.593 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' K' K ' 5' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -56.39 -38.45 71.49 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.533 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' K' K ' 6' ' ' CYS . . . . . . . . . . . . . 72.7 m -102.84 -27.48 12.64 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.135 0.421 . . . . 0.0 112.135 -179.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' K' K ' 7' ' ' CYS . . . . . 0.675 ' HB2' HD11 ' L' ' 11' ' ' LEU . 42.7 t -85.43 41.72 0.91 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.374 0.607 . . . . 0.0 110.849 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' K' K ' 8' ' ' THR . . . . . . . . . . . . . 7.8 t -127.69 -43.92 1.53 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 178.054 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' K' K ' 9' ' ' SER . . . . . 0.445 ' O ' ' HB ' ' K' ' 10' ' ' ILE . 64.5 m -158.49 20.08 0.22 Allowed 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.761 -0.2 . . . . 0.0 110.749 179.09 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' K' K ' 10' ' ' ILE . . . . . 0.563 HG12 ' HB3' ' H' ' 5' ' ' HIS . 1.9 mp 72.99 136.87 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 C-N-CA 123.287 0.635 . . . . 0.0 111.243 -179.53 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' K' K ' 11' ' ' CYS . . . . . . . . . . . . . 98.6 m -91.46 175.75 6.81 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.185 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' K' K ' 12' ' ' SER . . . . . . . . . . . . . 11.3 m -79.95 163.09 24.55 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.926 178.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' K' K ' 13' ' ' LEU . . . . . 0.44 HD22 ' HA ' ' K' ' 13' ' ' LEU . 1.0 OUTLIER -62.02 -55.78 25.69 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.719 0.295 . . . . 0.0 111.42 -179.129 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -66.9 -19.1 65.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.928 0.394 . . . . 0.0 111.073 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' K' K ' 15' ' ' GLN . . . . . 0.425 HE21 ' HB2' ' K' ' 15' ' ' GLN . 6.4 tt0 -69.49 -32.59 71.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.057 179.118 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' K' K ' 16' ' ' LEU . . . . . . . . . . . . . 96.1 mt -74.41 -30.68 62.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.6 178.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' K' K ' 17' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -63.09 -16.76 61.03 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.924 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' K' K ' 18' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -72.05 -11.6 60.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.831 0.348 . . . . 0.0 110.827 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' K' K ' 19' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -107.16 15.81 24.76 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.226 0.536 . . . . 0.0 110.694 -179.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' K' K ' 20' ' ' CYS . . . . . . . . . . . . . 11.4 m -92.28 155.34 18.02 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.459 -0.792 . . . . 0.0 111.174 179.53 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' K' K ' 21' ' ' ASN . . . . . . . . . . . . . 55.4 m-80 . . . . . 0 C--O 1.248 0.979 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.914 179.191 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' L' L ' 1' ' ' PHE . . . . . . . . . . . . . 66.5 t80 . . . . . 0 N--CA 1.483 1.179 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' L' L ' 2' ' ' VAL . . . . . 0.499 ' HB ' HD11 ' C' ' 10' ' ' ILE . 10.2 m -115.08 171.56 4.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.912 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' L' L ' 3' ' ' ASN . . . . . 0.566 ' H ' ' CD1' ' C' ' 10' ' ' ILE . 3.8 t-20 -106.65 -170.16 1.67 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.433 -179.145 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' L' L ' 4' ' ' GLN . . . . . 0.598 ' CD ' HG11 ' K' ' 3' ' ' VAL . 5.5 tt0 -52.94 -34.75 56.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.169 179.307 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' L' L ' 5' ' ' HIS . . . . . 0.576 ' HB3' HG12 ' C' ' 10' ' ' ILE . 23.3 t60 -54.43 -18.87 4.67 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.54 -0.754 . . . . 0.0 112.689 -178.782 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' L' L ' 6' ' ' LEU . . . . . . . . . . . . . 36.0 mt -124.59 -14.53 6.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.836 0.351 . . . . 0.0 111.077 178.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' L' L ' 7' ' ' CYS . . . . . 0.421 ' HB3' ' HA ' ' L' ' 4' ' ' GLN . 19.4 t -86.34 -40.53 15.36 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.907 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' L' L ' 8' ' ' GLY . . . . . 0.5 ' O ' HG22 ' L' ' 12' ' ' VAL . . . -60.72 -30.05 71.58 Favored Glycine 0 N--CA 1.452 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 113.862 -179.006 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' L' L ' 9' ' ' SER . . . . . 0.967 ' HB2' ' HG2' ' J' ' 13' ' ' GLU . 25.1 p -61.65 -24.31 66.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.924 0.392 . . . . 0.0 111.521 -179.223 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' L' L ' 10' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -98.94 -16.82 18.63 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.95 -179.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' L' L ' 11' ' ' LEU . . . . . 0.675 HD11 ' HB2' ' K' ' 7' ' ' CYS . 71.3 mt -74.14 -38.92 63.61 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.301 -0.999 . . . . 0.0 108.301 177.652 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' L' L ' 12' ' ' VAL . . . . . 0.5 HG22 ' O ' ' L' ' 8' ' ' GLY . 2.9 m -69.63 -28.3 37.01 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.383 179.235 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' L' L ' 13' ' ' GLU . . . . . 0.981 ' HG2' ' HB2' ' J' ' 9' ' ' SER . 40.8 mt-10 -58.07 -47.17 83.98 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-O 121.158 0.504 . . . . 0.0 109.716 179.191 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' L' L ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.91 -30.68 61.34 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.648 179.248 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' L' L ' 15' ' ' LEU . . . . . 0.468 HD12 ' HA ' ' L' ' 12' ' ' VAL . 14.0 mt -54.98 -59.28 4.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.925 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' L' L ' 16' ' ' TYR . . . . . 0.978 ' HB3' ' HE2' ' L' ' 24' ' ' PHE . 8.7 p90 -76.88 -17.37 59.0 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 119.862 -0.735 . . . . 0.0 110.916 -179.087 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' L' L ' 17' ' ' LEU . . . . . 0.471 ' HB2' ' O ' ' L' ' 13' ' ' GLU . 9.1 tp -65.95 -44.41 85.1 Favored 'General case' 0 C--O 1.232 0.149 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 178.567 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 78.4 t -77.98 -42.28 27.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 114.794 -1.094 . . . . 0.0 109.593 178.187 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' L' L ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -87.24 50.78 2.07 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.145 179.73 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' L' L ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.61 128.55 43.49 Favored Glycine 0 N--CA 1.447 -0.607 0 CA-C-N 115.446 -0.797 . . . . 0.0 113.418 -178.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' L' L ' 21' ' ' GLU . . . . . 0.523 ' HA ' ' O ' ' J' ' 28' ' ' PRO . 52.3 mt-10 61.35 28.82 18.21 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.84 0.682 . . . . 0.0 112.84 179.166 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' L' L ' 22' ' ' ARG . . . . . . . . . . . . . 17.9 mtt180 -117.37 -104.12 0.41 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 178.083 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' L' L ' 23' ' ' GLY . . . . . 0.456 ' HA2' ' HD3' ' J' ' 28' ' ' PRO . . . 157.49 147.14 4.7 Favored Glycine 0 N--CA 1.444 -0.802 0 N-CA-C 111.332 -0.707 . . . . 0.0 111.332 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' L' L ' 24' ' ' PHE . . . . . 0.978 ' HE2' ' HB3' ' L' ' 16' ' ' TYR . 30.5 p90 -146.55 178.75 8.05 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.858 0.361 . . . . 0.0 110.322 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' L' L ' 25' ' ' PHE . . . . . . . . . . . . . 5.6 p90 -128.92 150.94 50.16 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.672 178.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' L' L ' 26' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -140.44 125.54 18.53 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.872 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' L' L ' 27' ' ' THR . . . . . 0.433 ' HA ' ' HD3' ' L' ' 28' ' ' PRO . 11.7 p -120.78 111.66 34.26 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.853 179.348 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' L' L ' 28' ' ' PRO . . . . . 0.551 ' HA ' ' OE1' ' L' ' 4' ' ' GLN . 9.2 Cg_exo -71.34 69.61 2.56 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 123.403 2.736 . . . . 0.0 111.619 -179.761 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' L' L ' 29' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt . . . . . 0 C--N 1.32 -0.702 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.053 -179.349 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.599 0 N-CA-C 112.066 -0.414 . . . . 0.0 112.066 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.537 HD11 HD11 ' B' ' 15' ' ' LEU . 13.3 tt -139.49 -38.12 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 CA-C-N 116.946 0.373 . . . . 0.0 111.792 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.549 HG11 ' HA ' ' B' ' 28' ' ' PRO . 14.1 m -67.49 -50.81 58.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -179.059 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -75.53 -10.39 59.41 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.741 0.305 . . . . 0.0 111.505 179.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -90.46 -36.27 14.64 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.857 0.36 . . . . 0.0 110.866 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 81.1 m -104.27 -34.78 8.22 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 -178.069 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.497 ' HB2' HD11 ' B' ' 11' ' ' LEU . 8.2 t -86.1 35.88 0.66 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.32 0.581 . . . . 0.0 110.818 -179.648 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.514 ' C ' HG13 ' F' ' 2' ' ' VAL . 5.7 t -119.37 -62.73 1.47 Allowed 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 178.268 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.499 ' H ' HG23 ' A' ' 8' ' ' THR . 53.5 m -135.72 21.48 3.33 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 121.496 -0.753 . . . . 0.0 110.644 178.174 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.537 HD12 HG12 ' F' ' 2' ' ' VAL . 2.7 mp 76.0 136.51 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 C-N-CA 123.563 0.745 . . . . 0.0 110.358 -178.638 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 47.1 m -91.38 173.21 8.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.974 0.416 . . . . 0.0 111.051 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.592 ' HB3' ' HG3' ' A' ' 15' ' ' GLN . 43.2 t -86.38 152.19 22.92 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 177.676 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.3 tt -60.02 -32.98 71.4 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.132 0.491 . . . . 0.0 110.044 -179.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -73.15 -30.8 63.84 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.064 179.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.592 ' HG3' ' HB3' ' A' ' 12' ' ' SER . 87.6 mt-30 -70.41 -33.18 71.05 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.951 179.775 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 77.5 mt -67.47 -28.46 67.88 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.924 0.392 . . . . 0.0 110.705 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.668 ' HA ' ' SG ' ' A' ' 20' ' ' CYS . 67.4 tt0 -72.49 -13.07 61.34 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 121.094 0.473 . . . . 0.0 110.494 179.583 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.488 ' HB2' ' O ' ' A' ' 15' ' ' GLN . 3.9 m120 -69.86 -16.51 63.26 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.274 178.669 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -107.35 7.76 29.32 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.234 -179.035 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.668 ' SG ' ' HA ' ' A' ' 17' ' ' GLU . 87.4 m -76.32 83.02 3.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.887 0.375 . . . . 0.0 111.77 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.248 0.976 0 CA-C-O 118.297 -0.858 . . . . 0.0 111.125 178.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 18.9 t80 . . . . . 0 N--CA 1.482 1.125 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . 0.639 ' HB ' ' CD1' ' B' ' 6' ' ' LEU . 13.9 m -65.51 102.29 0.42 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 CA-C-O 121.353 0.596 . . . . 0.0 110.776 179.737 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . 0.557 ' O ' ' HB3' ' B' ' 7' ' ' CYS . 45.3 t30 -164.72 -68.49 0.04 OUTLIER 'General case' 0 C--O 1.214 -0.797 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.313 -179.242 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -54.12 -46.67 72.23 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.027 0.442 . . . . 0.0 111.808 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 51.9 t60 -81.08 -2.26 47.5 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -178.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.639 ' CD1' ' HB ' ' B' ' 2' ' ' VAL . 24.2 mt -116.12 -27.57 6.86 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.309 0.576 . . . . 0.0 110.7 179.34 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . 0.557 ' HB3' ' O ' ' B' ' 3' ' ' ASN . 0.0 OUTLIER -92.16 -36.69 13.15 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.112 -178.543 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.49 -33.85 59.33 Favored Glycine 0 C--N 1.334 0.46 0 C-N-CA 121.225 -0.512 . . . . 0.0 113.178 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . 0.838 ' HB2' ' HG2' ' D' ' 13' ' ' GLU . 83.2 p -67.54 -11.82 58.91 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.955 0.407 . . . . 0.0 111.905 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . 0.704 ' HA ' ' HG3' ' B' ' 13' ' ' GLU . 99.0 m-70 -110.96 -15.65 13.71 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.809 -179.551 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.497 HD11 ' HB2' ' A' ' 7' ' ' CYS . 19.6 mt -72.02 -32.2 66.93 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 177.562 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.631 ' HA ' ' HB2' ' B' ' 15' ' ' LEU . 1.3 m -68.19 -27.95 39.02 Favored 'Isoleucine or valine' 0 C--O 1.232 0.136 0 CA-C-N 114.896 -1.047 . . . . 0.0 111.166 179.021 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.858 ' HG2' ' HB2' ' D' ' 9' ' ' SER . 18.3 mt-10 -61.52 -38.44 87.41 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 178.753 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -80.36 -30.14 37.95 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 114.88 -1.055 . . . . 0.0 110.414 178.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.631 ' HB2' ' HA ' ' B' ' 12' ' ' VAL . 11.2 mt -59.73 -61.79 2.36 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.926 179.736 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . 0.957 ' HB3' ' HE2' ' B' ' 24' ' ' PHE . 2.4 p90 -73.6 -4.32 33.37 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 119.848 -0.741 . . . . 0.0 110.691 -179.141 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.482 ' HB2' ' O ' ' B' ' 13' ' ' GLU . 9.1 tt -77.85 -45.83 23.17 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 177.524 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 91.4 t -73.58 -44.01 53.98 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.975 178.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 75.1 m -67.38 -27.27 66.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.511 179.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.14 -100.95 0.62 Allowed Glycine 0 C--N 1.332 0.308 0 CA-C-N 116.046 -0.525 . . . . 0.0 113.005 179.297 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.733 ' HB2' ' HD2' ' D' ' 29' ' ' LYS . 16.9 pt-20 -91.8 -14.62 29.52 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.054 0.454 . . . . 0.0 110.429 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 86.2 mtm180 -77.14 140.58 40.26 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.131 179.086 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . 0.613 ' HA2' ' HD3' ' D' ' 28' ' ' PRO . . . -85.32 -177.87 50.67 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.722 -0.752 . . . . 0.0 111.574 179.525 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . 0.957 ' HE2' ' HB3' ' B' ' 16' ' ' TYR . 14.9 p90 -154.9 167.46 30.21 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.203 0.525 . . . . 0.0 111.064 179.669 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -114.54 120.31 39.78 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 179.277 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -119.98 120.71 37.13 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.131 0.491 . . . . 0.0 111.603 -178.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 1.3 p -116.08 111.23 42.88 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.366 179.033 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . 0.586 ' HD3' ' HA2' ' D' ' 23' ' ' GLY . 15.5 Cg_exo -69.29 -10.81 29.93 Favored 'Trans proline' 0 N--CA 1.471 0.163 0 C-N-CA 123.222 2.614 . . . . 0.0 113.819 -178.06 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.694 ' HD2' ' HB2' ' D' ' 21' ' ' GLU . 79.4 tttt -102.45 -11.38 18.63 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.872 0.368 . . . . 0.0 110.991 -179.243 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' THR . . . . . 0.502 ' O ' HG22 ' A' ' 3' ' ' VAL . 58.5 m . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.542 -0.742 . . . . 0.0 110.07 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.62 0 N-CA-C 112.022 -0.431 . . . . 0.0 112.022 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' C' C ' 2' ' ' ILE . . . . . 0.529 HD11 HD11 ' D' ' 15' ' ' LEU . 12.3 tt -140.34 -38.16 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.838 0.351 . . . . 0.0 111.523 -179.734 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 3' ' ' VAL . . . . . 0.572 HG11 ' HA ' ' D' ' 28' ' ' PRO . 13.8 m -67.33 -50.44 62.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 C-N-CA 120.506 -0.477 . . . . 0.0 112.07 -179.327 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 4' ' ' GLU . . . . . 0.408 ' OE1' HG23 ' C' ' 3' ' ' VAL . 3.2 mp0 -76.84 -9.15 58.48 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.708 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -91.05 -36.71 13.88 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.604 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 84.3 m -104.0 -35.31 8.15 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 113.099 0.778 . . . . 0.0 113.099 -178.229 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 7' ' ' CYS . . . . . 0.498 ' HB2' HD11 ' D' ' 11' ' ' LEU . 8.0 t -85.59 36.66 0.66 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.273 0.558 . . . . 0.0 110.813 -179.748 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 8' ' ' THR . . . . . 0.545 HG23 ' H ' ' C' ' 9' ' ' SER . 4.9 t -119.55 -63.74 1.35 Allowed 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 178.255 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 9' ' ' SER . . . . . 0.545 ' H ' HG23 ' C' ' 8' ' ' THR . 62.0 m -135.42 21.35 3.39 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 121.654 -0.653 . . . . 0.0 110.606 178.121 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . 0.547 HD12 HG12 ' L' ' 2' ' ' VAL . 2.7 mp 76.4 135.97 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 123.557 0.743 . . . . 0.0 110.426 -179.024 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 53.4 m -90.83 173.07 8.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.191 0.52 . . . . 0.0 111.388 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . 0.579 ' HB3' ' HG3' ' C' ' 15' ' ' GLN . 40.4 t -86.43 151.11 23.8 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 177.676 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 9.5 tt -59.16 -33.53 71.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.107 0.479 . . . . 0.0 110.218 -179.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -72.21 -31.8 66.19 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.91 179.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . 0.579 ' HG3' ' HB3' ' C' ' 12' ' ' SER . 87.2 mt-30 -69.61 -33.33 72.52 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.097 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 75.2 mt -67.15 -28.81 68.44 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.84 0.352 . . . . 0.0 110.633 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 17' ' ' GLU . . . . . 0.684 ' HA ' ' SG ' ' C' ' 20' ' ' CYS . 68.1 tt0 -71.96 -13.5 61.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.551 179.501 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 18' ' ' ASN . . . . . 0.514 ' HB2' ' O ' ' C' ' 15' ' ' GLN . 3.8 m120 -69.15 -18.48 63.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.109 0.481 . . . . 0.0 110.298 178.754 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -105.82 8.02 32.59 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.27 -178.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 20' ' ' CYS . . . . . 0.684 ' SG ' ' HA ' ' C' ' 17' ' ' GLU . 85.9 m -76.53 82.24 3.22 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.795 -179.783 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 21' ' ' ASN . . . . . 0.429 HD22 ' HA ' ' C' ' 21' ' ' ASN . 0.4 OUTLIER . . . . . 0 C--O 1.25 1.087 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.35 178.605 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 16.2 t80 . . . . . 0 N--CA 1.479 0.995 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' D' D ' 2' ' ' VAL . . . . . 0.641 ' HB ' ' CD1' ' D' ' 6' ' ' LEU . 14.3 m -65.29 102.93 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 CA-C-O 121.379 0.609 . . . . 0.0 110.478 179.805 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 3' ' ' ASN . . . . . 0.545 ' O ' ' HB3' ' D' ' 7' ' ' CYS . 46.9 t30 -165.59 -69.59 0.03 OUTLIER 'General case' 0 C--O 1.215 -0.729 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.039 -179.171 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -53.43 -45.93 69.63 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.964 0.412 . . . . 0.0 112.043 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 5' ' ' HIS . . . . . . . . . . . . . 50.9 t60 -81.79 -2.7 51.75 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -178.146 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 6' ' ' LEU . . . . . 0.641 ' CD1' ' HB ' ' D' ' 2' ' ' VAL . 23.5 mt -115.42 -27.52 7.16 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.293 0.568 . . . . 0.0 110.809 179.476 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 7' ' ' CYS . . . . . 0.545 ' HB3' ' O ' ' D' ' 3' ' ' ASN . 0.0 OUTLIER -92.05 -36.85 13.14 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.135 -178.477 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' D' D ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.27 -34.21 58.89 Favored Glycine 0 C--N 1.336 0.561 0 C-N-CA 121.173 -0.537 . . . . 0.0 113.211 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 9' ' ' SER . . . . . 0.858 ' HB2' ' HG2' ' B' ' 13' ' ' GLU . 86.1 p -67.09 -12.39 59.82 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.886 0.374 . . . . 0.0 111.94 -179.689 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 10' ' ' HIS . . . . . 0.711 ' HA ' ' HG3' ' D' ' 13' ' ' GLU . 99.0 m-70 -110.51 -15.99 13.77 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 120.834 0.349 . . . . 0.0 110.877 -179.523 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 11' ' ' LEU . . . . . 0.498 HD11 ' HB2' ' C' ' 7' ' ' CYS . 20.7 mt -71.8 -32.17 67.33 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 177.567 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 12' ' ' VAL . . . . . 0.623 ' HA ' ' HB2' ' D' ' 15' ' ' LEU . 1.5 m -68.18 -28.2 39.99 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 CA-C-N 114.958 -1.019 . . . . 0.0 111.322 178.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 13' ' ' GLU . . . . . 0.838 ' HG2' ' HB2' ' B' ' 9' ' ' SER . 17.6 mt-10 -61.31 -38.49 87.04 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 178.586 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -80.07 -30.67 39.35 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 114.801 -1.09 . . . . 0.0 110.401 179.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 15' ' ' LEU . . . . . 0.623 ' HB2' ' HA ' ' D' ' 12' ' ' VAL . 11.1 mt -59.54 -61.97 2.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.97 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 16' ' ' TYR . . . . . 1.012 ' HB3' ' HE2' ' D' ' 24' ' ' PHE . 2.3 p90 -73.01 -5.09 36.5 Favored 'General case' 0 CA--C 1.528 0.103 0 C-N-CA 119.921 -0.712 . . . . 0.0 110.841 -179.333 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . 0.476 ' HB2' ' O ' ' D' ' 13' ' ' GLU . 9.0 tt -77.75 -45.82 23.55 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 177.56 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 90.0 t -73.37 -43.64 56.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.867 178.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 19' ' ' CYS . . . . . . . . . . . . . 78.1 m -68.36 -26.76 65.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.66 179.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.24 -102.98 0.79 Allowed Glycine 0 N--CA 1.45 -0.374 0 CA-C-N 115.994 -0.548 . . . . 0.0 113.003 179.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 21' ' ' GLU . . . . . 0.694 ' HB2' ' HD2' ' B' ' 29' ' ' LYS . 17.3 pt-20 -89.77 -13.57 36.41 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.917 0.389 . . . . 0.0 110.531 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 22' ' ' ARG . . . . . . . . . . . . . 85.4 mtm180 -78.67 140.93 38.31 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.085 179.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 23' ' ' GLY . . . . . 0.586 ' HA2' ' HD3' ' B' ' 28' ' ' PRO . . . -85.07 -177.23 50.88 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.508 -0.853 . . . . 0.0 111.62 179.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 24' ' ' PHE . . . . . 1.012 ' HE2' ' HB3' ' D' ' 16' ' ' TYR . 14.4 p90 -155.45 167.21 31.13 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.069 0.462 . . . . 0.0 111.031 179.543 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 25' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -114.45 120.62 40.92 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 179.25 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 26' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -120.27 120.47 36.16 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.12 0.486 . . . . 0.0 111.591 -178.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 27' ' ' THR . . . . . . . . . . . . . 1.2 p -115.72 111.21 43.68 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.447 178.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 28' ' ' PRO . . . . . 0.613 ' HD3' ' HA2' ' B' ' 23' ' ' GLY . 15.6 Cg_exo -68.76 -10.8 30.15 Favored 'Trans proline' 0 CA--C 1.529 0.252 0 C-N-CA 123.32 2.68 . . . . 0.0 114.015 -178.157 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 29' ' ' LYS . . . . . 0.733 ' HD2' ' HB2' ' B' ' 21' ' ' GLU . 78.6 tttt -103.03 -10.42 18.94 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.902 0.382 . . . . 0.0 111.131 -179.189 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 30' ' ' THR . . . . . 0.538 ' O ' HG22 ' C' ' 3' ' ' VAL . 34.8 m . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.543 -0.742 . . . . 0.0 109.911 179.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.657 0 N-CA-C 111.601 -0.6 . . . . 0.0 111.601 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' E' E ' 2' ' ' ILE . . . . . 0.54 HD11 HD11 ' F' ' 15' ' ' LEU . 13.4 tt -137.61 -38.26 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 111.784 0.29 . . . . 0.0 111.784 -179.577 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' E' E ' 3' ' ' VAL . . . . . 0.545 HG11 ' HA ' ' F' ' 28' ' ' PRO . 14.5 m -67.24 -50.17 65.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 120.516 -0.474 . . . . 0.0 112.262 -179.306 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' E' E ' 4' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -76.94 -8.17 56.89 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.8 0.333 . . . . 0.0 111.561 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -92.21 -36.32 13.33 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.746 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 6' ' ' CYS . . . . . . . . . . . . . 81.3 m -104.48 -34.86 8.09 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -178.178 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 7' ' ' CYS . . . . . 0.487 ' HB2' HD11 ' F' ' 11' ' ' LEU . 8.1 t -85.76 35.44 0.62 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.236 0.541 . . . . 0.0 110.741 -179.691 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' E' E ' 8' ' ' THR . . . . . 0.53 HG23 ' H ' ' E' ' 9' ' ' SER . 6.4 t -118.79 -63.6 1.38 Allowed 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 178.482 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' E' E ' 9' ' ' SER . . . . . 0.53 ' H ' HG23 ' E' ' 8' ' ' THR . 56.2 m -135.82 22.2 3.32 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 121.52 -0.738 . . . . 0.0 110.443 178.078 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' E' E ' 10' ' ' ILE . . . . . 0.557 HD12 HG12 ' J' ' 2' ' ' VAL . 2.6 mp 75.73 135.72 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 C-N-CA 123.591 0.756 . . . . 0.0 110.525 -178.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' E' E ' 11' ' ' CYS . . . . . . . . . . . . . 50.5 m -90.1 172.77 8.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.963 0.411 . . . . 0.0 111.081 179.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 12' ' ' SER . . . . . 0.585 ' HB3' ' HG3' ' E' ' 15' ' ' GLN . 47.1 t -86.54 152.27 22.77 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 177.504 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 9.3 tt -59.49 -34.15 72.23 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.091 0.472 . . . . 0.0 110.123 -179.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -71.86 -31.59 66.62 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.04 179.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 15' ' ' GLN . . . . . 0.585 ' HG3' ' HB3' ' E' ' 12' ' ' SER . 86.0 mt-30 -69.86 -33.14 71.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.129 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' E' E ' 16' ' ' LEU . . . . . . . . . . . . . 75.6 mt -67.08 -29.16 68.85 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.849 0.357 . . . . 0.0 110.452 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 17' ' ' GLU . . . . . 0.679 ' HA ' ' SG ' ' E' ' 20' ' ' CYS . 65.9 tt0 -71.81 -12.68 61.41 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.17 0.509 . . . . 0.0 110.721 179.57 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' E' E ' 18' ' ' ASN . . . . . 0.488 ' HB2' ' O ' ' E' ' 15' ' ' GLN . 3.8 m120 -70.52 -16.82 62.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.209 178.614 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' E' E ' 19' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -106.75 7.15 30.23 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.268 -179.054 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 20' ' ' CYS . . . . . 0.679 ' SG ' ' HA ' ' E' ' 17' ' ' GLU . 84.6 m -75.98 83.02 2.86 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.686 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' E' E ' 21' ' ' ASN . . . . . 0.423 HD22 ' HA ' ' E' ' 21' ' ' ASN . 0.4 OUTLIER . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.316 -0.849 . . . . 0.0 111.124 178.616 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' F' F ' 1' ' ' PHE . . . . . . . . . . . . . 18.1 t80 . . . . . 0 N--CA 1.479 1.013 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' F' F ' 2' ' ' VAL . . . . . 0.639 ' HB ' ' CD1' ' F' ' 6' ' ' LEU . 13.2 m -65.34 102.62 0.42 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-O 121.392 0.615 . . . . 0.0 110.853 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' F' F ' 3' ' ' ASN . . . . . 0.54 ' O ' ' HB3' ' F' ' 7' ' ' CYS . 46.7 t30 -164.94 -68.88 0.04 OUTLIER 'General case' 0 C--O 1.212 -0.869 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.312 -179.299 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' F' F ' 4' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -53.66 -46.8 70.7 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.867 0.365 . . . . 0.0 111.754 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 5' ' ' HIS . . . . . . . . . . . . . 52.6 t60 -80.55 -3.15 49.13 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.5 0.556 . . . . 0.0 112.5 -178.234 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 6' ' ' LEU . . . . . 0.639 ' CD1' ' HB ' ' F' ' 2' ' ' VAL . 23.5 mt -115.17 -27.68 7.21 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.314 0.578 . . . . 0.0 110.726 179.598 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' F' F ' 7' ' ' CYS . . . . . 0.54 ' HB3' ' O ' ' F' ' 3' ' ' ASN . 0.0 OUTLIER -92.1 -36.68 13.2 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.12 -178.297 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' F' F ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.86 -33.48 60.17 Favored Glycine 0 C--N 1.334 0.46 0 C-N-CA 121.264 -0.494 . . . . 0.0 113.07 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 9' ' ' SER . . . . . 0.826 ' HB2' ' HG2' ' H' ' 13' ' ' GLU . 86.2 p -67.39 -12.65 60.76 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.951 0.405 . . . . 0.0 111.788 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' F' F ' 10' ' ' HIS . . . . . 0.705 ' HA ' ' HG3' ' F' ' 13' ' ' GLU . 99.0 m-70 -110.33 -16.05 13.81 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.886 -179.572 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' F' F ' 11' ' ' LEU . . . . . 0.487 HD11 ' HB2' ' E' ' 7' ' ' CYS . 19.8 mt -71.71 -31.76 67.07 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 177.699 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' F' F ' 12' ' ' VAL . . . . . 0.608 ' HA ' ' HB2' ' F' ' 15' ' ' LEU . 1.4 m -68.52 -28.01 38.64 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-N 114.927 -1.033 . . . . 0.0 111.071 179.003 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' F' F ' 13' ' ' GLU . . . . . 0.837 ' HG2' ' HB2' ' H' ' 9' ' ' SER . 18.8 mt-10 -61.53 -38.47 87.53 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 178.783 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' F' F ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.98 -30.14 39.65 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 114.955 -1.02 . . . . 0.0 110.392 178.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 15' ' ' LEU . . . . . 0.608 ' HB2' ' HA ' ' F' ' 12' ' ' VAL . 11.2 mt -59.79 -61.64 2.46 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.011 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' F' F ' 16' ' ' TYR . . . . . 1.001 ' HB3' ' HE2' ' F' ' 24' ' ' PHE . 2.4 p90 -73.51 -4.51 34.29 Favored 'General case' 0 C--N 1.333 -0.131 0 C-N-CA 119.877 -0.729 . . . . 0.0 110.819 -179.298 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' F' F ' 17' ' ' LEU . . . . . 0.47 ' HB2' ' O ' ' F' ' 13' ' ' GLU . 8.9 tt -77.98 -45.75 22.98 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 177.451 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 85.4 t -73.5 -44.9 53.14 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.749 178.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 19' ' ' CYS . . . . . . . . . . . . . 77.6 m -66.5 -27.32 67.68 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.724 179.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.14 -102.58 0.8 Allowed Glycine 0 C--N 1.331 0.29 0 CA-C-N 115.985 -0.552 . . . . 0.0 112.706 179.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 21' ' ' GLU . . . . . 0.69 ' HB2' ' HD2' ' H' ' 29' ' ' LYS . 16.9 pt-20 -90.5 -13.29 34.99 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.095 0.474 . . . . 0.0 110.706 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' F' F ' 22' ' ' ARG . . . . . . . . . . . . . 85.6 mtm180 -78.55 140.21 38.55 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.245 179.202 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 23' ' ' GLY . . . . . 0.59 ' HA2' ' HD3' ' H' ' 28' ' ' PRO . . . -84.87 -177.89 51.06 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.472 -0.87 . . . . 0.0 111.696 179.577 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' F' F ' 24' ' ' PHE . . . . . 1.001 ' HE2' ' HB3' ' F' ' 16' ' ' TYR . 13.8 p90 -154.98 167.39 30.5 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.17 0.51 . . . . 0.0 111.052 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' F' F ' 25' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -114.96 119.44 36.53 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 179.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 26' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -119.01 121.04 39.0 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.203 0.525 . . . . 0.0 111.592 -178.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 27' ' ' THR . . . . . 0.447 ' HA ' ' HD3' ' F' ' 28' ' ' PRO . 1.2 p -116.33 111.38 42.23 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 115.177 -0.92 . . . . 0.0 109.258 178.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' F' F ' 28' ' ' PRO . . . . . 0.624 ' HD3' ' HA2' ' H' ' 23' ' ' GLY . 16.4 Cg_exo -69.34 -11.2 30.84 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 123.341 2.694 . . . . 0.0 113.907 -177.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' F' F ' 29' ' ' LYS . . . . . 0.768 ' HD2' ' HB2' ' H' ' 21' ' ' GLU . 77.8 tttt -102.44 -12.56 17.76 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.821 -0.351 . . . . 0.0 110.737 -179.239 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' F' F ' 30' ' ' THR . . . . . 0.522 ' O ' HG22 ' E' ' 3' ' ' VAL . 26.5 m . . . . . 0 C--O 1.248 0.981 0 CA-C-O 118.68 -0.676 . . . . 0.0 110.088 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' G' G ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.438 0 N-CA-C 111.729 -0.548 . . . . 0.0 111.729 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' G' G ' 2' ' ' ILE . . . . . 0.552 HD11 HD11 ' H' ' 15' ' ' LEU . 13.4 tt -138.74 -38.91 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.87 0.335 . . . . 0.0 111.543 -179.553 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' G' G ' 3' ' ' VAL . . . . . 0.569 HG22 ' O ' ' H' ' 30' ' ' THR . 15.3 m -67.34 -49.51 71.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 C-N-CA 120.309 -0.557 . . . . 0.0 112.269 -179.206 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' G' G ' 4' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -77.05 -8.93 58.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 122.109 -0.369 . . . . 0.0 111.51 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' G' G ' 5' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -91.59 -36.81 13.46 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 120.966 0.412 . . . . 0.0 110.706 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' G' G ' 6' ' ' CYS . . . . . . . . . . . . . 84.0 m -103.69 -35.07 8.38 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 113.232 0.827 . . . . 0.0 113.232 -178.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' G' G ' 7' ' ' CYS . . . . . 0.482 ' HB2' HD11 ' H' ' 11' ' ' LEU . 8.0 t -85.68 36.26 0.65 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.385 0.612 . . . . 0.0 110.877 -179.749 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' G' G ' 8' ' ' THR . . . . . 0.544 HG23 ' H ' ' G' ' 9' ' ' SER . 5.8 t -119.37 -63.87 1.34 Allowed 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 178.458 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' G' G ' 9' ' ' SER . . . . . 0.544 ' H ' HG23 ' G' ' 8' ' ' THR . 54.9 m -136.48 24.17 3.18 Favored 'General case' 0 C--N 1.322 -0.595 0 O-C-N 121.684 -0.635 . . . . 0.0 110.46 177.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' G' G ' 10' ' ' ILE . . . . . 0.541 HD12 HG12 ' D' ' 2' ' ' VAL . 2.8 mp 74.11 137.32 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.682 -179.164 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' G' G ' 11' ' ' CYS . . . . . . . . . . . . . 47.3 m -91.82 173.65 7.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.249 0.547 . . . . 0.0 111.167 179.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' G' G ' 12' ' ' SER . . . . . 0.609 ' HB3' ' HG3' ' G' ' 15' ' ' GLN . 38.1 t -87.06 150.51 23.97 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 177.649 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' G' G ' 13' ' ' LEU . . . . . . . . . . . . . 9.1 tt -58.3 -33.98 70.05 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.053 0.454 . . . . 0.0 110.127 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -72.65 -30.0 63.93 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.248 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' G' G ' 15' ' ' GLN . . . . . 0.609 ' HG3' ' HB3' ' G' ' 12' ' ' SER . 86.9 mt-30 -71.54 -32.53 68.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.985 179.805 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' G' G ' 16' ' ' LEU . . . . . . . . . . . . . 77.6 mt -67.47 -28.92 68.27 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.379 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' G' G ' 17' ' ' GLU . . . . . 0.671 ' HA ' ' SG ' ' G' ' 20' ' ' CYS . 63.3 tt0 -71.83 -14.04 61.86 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-O 121.086 0.47 . . . . 0.0 110.599 179.551 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' G' G ' 18' ' ' ASN . . . . . 0.491 ' HB2' ' O ' ' G' ' 15' ' ' GLN . 3.7 m120 -68.46 -18.58 64.44 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.173 178.531 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' G' G ' 19' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -105.13 6.41 33.13 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.327 -178.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' G' G ' 20' ' ' CYS . . . . . 0.671 ' SG ' ' HA ' ' G' ' 17' ' ' GLU . 88.1 m -74.59 82.76 2.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.837 0.351 . . . . 0.0 111.932 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' G' G ' 21' ' ' ASN . . . . . 0.437 HD22 ' HA ' ' G' ' 21' ' ' ASN . 0.4 OUTLIER . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.073 -0.965 . . . . 0.0 110.839 178.628 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' H' H ' 1' ' ' PHE . . . . . . . . . . . . . 18.3 t80 . . . . . 0 N--CA 1.482 1.126 0 N-CA-C 110.013 -0.365 . . . . 0.0 110.013 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' H' H ' 2' ' ' VAL . . . . . 0.633 ' HB ' ' CD1' ' H' ' 6' ' ' LEU . 13.7 m -64.39 102.22 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.13 0 CA-C-O 121.315 0.579 . . . . 0.0 110.847 179.58 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' H' H ' 3' ' ' ASN . . . . . 0.549 ' O ' ' HB3' ' H' ' 7' ' ' CYS . 45.6 t30 -165.14 -68.23 0.03 OUTLIER 'General case' 0 C--O 1.212 -0.875 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.265 -179.277 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' H' H ' 4' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -54.3 -46.1 72.69 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.856 0.36 . . . . 0.0 111.75 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' H' H ' 5' ' ' HIS . . . . . . . . . . . . . 51.1 t60 -81.7 -2.41 50.39 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -178.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' H' H ' 6' ' ' LEU . . . . . 0.633 ' CD1' ' HB ' ' H' ' 2' ' ' VAL . 24.6 mt -115.61 -27.35 7.14 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.186 0.517 . . . . 0.0 110.649 179.539 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' H' H ' 7' ' ' CYS . . . . . 0.549 ' HB3' ' O ' ' H' ' 3' ' ' ASN . 0.0 OUTLIER -92.5 -36.6 12.98 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.993 -178.408 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' H' H ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.53 -33.97 59.59 Favored Glycine 0 C--N 1.333 0.409 0 C-N-CA 121.234 -0.507 . . . . 0.0 113.061 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' H' H ' 9' ' ' SER . . . . . 0.837 ' HB2' ' HG2' ' F' ' 13' ' ' GLU . 88.6 p -67.32 -12.21 59.58 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.898 0.38 . . . . 0.0 111.899 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' H' H ' 10' ' ' HIS . . . . . 0.707 ' HA ' ' HG3' ' H' ' 13' ' ' GLU . 98.9 m-70 -110.76 -15.66 13.77 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.777 -179.529 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' H' H ' 11' ' ' LEU . . . . . 0.482 HD11 ' HB2' ' G' ' 7' ' ' CYS . 20.3 mt -72.23 -31.6 65.98 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 177.661 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' H' H ' 12' ' ' VAL . . . . . 0.632 ' HA ' ' HB2' ' H' ' 15' ' ' LEU . 1.4 m -68.97 -27.74 36.73 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.19 178.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' H' H ' 13' ' ' GLU . . . . . 0.826 ' HG2' ' HB2' ' F' ' 9' ' ' SER . 17.9 mt-10 -61.53 -38.84 88.88 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 178.562 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' H' H ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.58 -30.76 41.69 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 114.885 -1.052 . . . . 0.0 110.463 178.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' H' H ' 15' ' ' LEU . . . . . 0.632 ' HB2' ' HA ' ' H' ' 12' ' ' VAL . 11.0 mt -59.44 -61.76 2.39 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.899 -0.591 . . . . 0.0 112.052 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' H' H ' 16' ' ' TYR . . . . . 0.964 ' HB3' ' HE2' ' H' ' 24' ' ' PHE . 2.3 p90 -73.23 -4.97 36.34 Favored 'General case' 0 C--O 1.227 -0.117 0 C-N-CA 119.817 -0.753 . . . . 0.0 110.886 -179.293 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' H' H ' 17' ' ' LEU . . . . . 0.477 ' HB2' ' O ' ' H' ' 13' ' ' GLU . 9.1 tt -77.48 -46.29 22.95 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 177.584 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 86.7 t -73.31 -42.67 57.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.961 178.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' H' H ' 19' ' ' CYS . . . . . . . . . . . . . 76.0 m -69.32 -26.39 64.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.481 179.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' H' H ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.38 -102.4 0.73 Allowed Glycine 0 C--N 1.33 0.214 0 CA-C-N 116.067 -0.515 . . . . 0.0 112.825 179.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' H' H ' 21' ' ' GLU . . . . . 0.768 ' HB2' ' HD2' ' F' ' 29' ' ' LYS . 14.9 pt-20 -90.71 -13.59 33.82 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.035 0.445 . . . . 0.0 110.341 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' H' H ' 22' ' ' ARG . . . . . . . . . . . . . 85.2 mtm180 -78.12 138.98 39.01 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.285 179.152 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' H' H ' 23' ' ' GLY . . . . . 0.624 ' HA2' ' HD3' ' F' ' 28' ' ' PRO . . . -83.6 -178.42 51.95 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.726 -0.75 . . . . 0.0 111.623 179.57 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' H' H ' 24' ' ' PHE . . . . . 0.964 ' HE2' ' HB3' ' H' ' 16' ' ' TYR . 15.7 p90 -154.76 167.65 29.51 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.982 0.42 . . . . 0.0 111.135 179.537 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' H' H ' 25' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -114.81 119.77 37.75 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 179.386 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' H' H ' 26' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -119.33 120.86 38.17 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.117 0.484 . . . . 0.0 111.812 -178.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' H' H ' 27' ' ' THR . . . . . 0.403 ' HA ' ' HD3' ' H' ' 28' ' ' PRO . 1.2 p -116.13 110.6 43.35 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.368 179.184 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' H' H ' 28' ' ' PRO . . . . . 0.59 ' HD3' ' HA2' ' F' ' 23' ' ' GLY . 16.1 Cg_exo -68.56 -11.38 31.77 Favored 'Trans proline' 0 CA--C 1.528 0.211 0 C-N-CA 123.295 2.663 . . . . 0.0 113.836 -178.173 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' H' H ' 29' ' ' LYS . . . . . 0.69 ' HD2' ' HB2' ' F' ' 21' ' ' GLU . 77.5 tttt -102.02 -11.96 18.52 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.89 0.376 . . . . 0.0 110.937 -179.306 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' H' H ' 30' ' ' THR . . . . . 0.569 ' O ' HG22 ' G' ' 3' ' ' VAL . 50.6 m . . . . . 0 C--O 1.251 1.17 0 CA-C-O 118.438 -0.791 . . . . 0.0 110.526 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' I' I ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.795 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' I' I ' 2' ' ' ILE . . . . . 0.533 HD11 HD11 ' J' ' 15' ' ' LEU . 13.3 tt -138.87 -38.27 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 O-C-N 122.66 -0.318 . . . . 0.0 111.728 -179.637 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' I' I ' 3' ' ' VAL . . . . . 0.565 HG22 ' O ' ' J' ' 30' ' ' THR . 15.5 m -67.89 -49.77 65.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 120.407 -0.517 . . . . 0.0 112.064 -179.106 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' I' I ' 4' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -76.68 -8.74 57.85 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.483 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' I' I ' 5' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -91.72 -37.47 12.99 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.757 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' I' I ' 6' ' ' CYS . . . . . . . . . . . . . 87.6 m -103.19 -34.87 8.67 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 -178.039 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' I' I ' 7' ' ' CYS . . . . . 0.485 ' HB2' HD11 ' J' ' 11' ' ' LEU . 7.9 t -85.73 35.58 0.63 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.231 0.539 . . . . 0.0 110.78 -179.568 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' I' I ' 8' ' ' THR . . . . . 0.514 ' C ' HG13 ' B' ' 2' ' ' VAL . 5.0 t -118.72 -63.8 1.36 Allowed 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 178.34 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' I' I ' 9' ' ' SER . . . . . 0.514 ' H ' HG23 ' I' ' 8' ' ' THR . 40.5 m -134.81 20.08 3.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 121.662 -0.649 . . . . 0.0 110.586 178.279 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' I' I ' 10' ' ' ILE . . . . . 0.555 HD12 HG12 ' B' ' 2' ' ' VAL . 2.6 mp 77.42 137.5 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 123.532 0.733 . . . . 0.0 110.2 -178.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' I' I ' 11' ' ' CYS . . . . . . . . . . . . . 55.0 m -92.47 172.17 8.56 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.322 0.582 . . . . 0.0 111.128 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' I' I ' 12' ' ' SER . . . . . 0.534 ' HB3' ' HG3' ' I' ' 15' ' ' GLN . 41.1 t -85.58 151.37 23.96 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 177.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' I' I ' 13' ' ' LEU . . . . . . . . . . . . . 9.2 tt -58.85 -33.31 70.29 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.139 0.495 . . . . 0.0 110.361 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -72.96 -31.61 64.67 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.002 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' I' I ' 15' ' ' GLN . . . . . 0.534 ' HG3' ' HB3' ' I' ' 12' ' ' SER . 88.3 mt-30 -69.73 -33.33 72.32 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.197 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' I' I ' 16' ' ' LEU . . . . . . . . . . . . . 77.7 mt -66.48 -29.43 69.54 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.863 0.363 . . . . 0.0 110.58 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' I' I ' 17' ' ' GLU . . . . . 0.69 ' HA ' ' SG ' ' I' ' 20' ' ' CYS . 62.9 tt0 -71.59 -14.08 61.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.623 179.594 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' I' I ' 18' ' ' ASN . . . . . 0.491 ' HB2' ' O ' ' I' ' 15' ' ' GLN . 3.6 m120 -69.29 -16.03 63.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.135 0.493 . . . . 0.0 110.276 178.555 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' I' I ' 19' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -107.92 7.81 28.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.069 -179.11 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' I' I ' 20' ' ' CYS . . . . . 0.69 ' SG ' ' HA ' ' I' ' 17' ' ' GLU . 85.9 m -76.38 82.36 3.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.115 0.483 . . . . 0.0 111.687 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' I' I ' 21' ' ' ASN . . . . . 0.441 ' HA ' HD22 ' I' ' 21' ' ' ASN . 0.4 OUTLIER . . . . . 0 C--O 1.25 1.124 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.606 178.462 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' J' J ' 1' ' ' PHE . . . . . . . . . . . . . 21.6 t80 . . . . . 0 N--CA 1.48 1.068 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' J' J ' 2' ' ' VAL . . . . . 0.637 ' HB ' ' CD1' ' J' ' 6' ' ' LEU . 13.0 m -66.75 102.61 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 CA-C-O 121.435 0.636 . . . . 0.0 110.328 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' J' J ' 3' ' ' ASN . . . . . 0.522 ' O ' ' HB3' ' J' ' 7' ' ' CYS . 46.0 t30 -165.28 -69.39 0.03 OUTLIER 'General case' 0 C--O 1.214 -0.798 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.019 -179.047 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' J' J ' 4' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -53.33 -46.19 69.36 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.945 0.403 . . . . 0.0 111.906 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' J' J ' 5' ' ' HIS . . . . . . . . . . . . . 51.6 t60 -81.17 -3.31 51.77 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -178.228 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' J' J ' 6' ' ' LEU . . . . . 0.637 ' CD1' ' HB ' ' J' ' 2' ' ' VAL . 23.6 mt -115.11 -27.37 7.34 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.218 0.532 . . . . 0.0 110.839 179.736 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' J' J ' 7' ' ' CYS . . . . . 0.522 ' HB3' ' O ' ' J' ' 3' ' ' ASN . 0.0 OUTLIER -92.35 -36.6 13.08 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.075 -178.492 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' J' J ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.36 -34.31 59.3 Favored Glycine 0 C--N 1.334 0.443 0 C-N-CA 121.296 -0.478 . . . . 0.0 113.138 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' J' J ' 9' ' ' SER . . . . . 0.86 ' HB2' ' HG2' ' L' ' 13' ' ' GLU . 86.7 p -67.21 -12.32 59.76 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.955 0.407 . . . . 0.0 111.98 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' J' J ' 10' ' ' HIS . . . . . 0.699 ' HA ' ' HG3' ' J' ' 13' ' ' GLU . 99.0 m-70 -110.36 -15.94 13.83 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.816 0.341 . . . . 0.0 110.853 -179.59 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' J' J ' 11' ' ' LEU . . . . . 0.485 HD11 ' HB2' ' I' ' 7' ' ' CYS . 20.0 mt -72.12 -31.99 66.55 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 107.934 -1.135 . . . . 0.0 107.934 177.525 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' J' J ' 12' ' ' VAL . . . . . 0.632 ' HA ' ' HB2' ' J' ' 15' ' ' LEU . 1.4 m -68.15 -28.14 39.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 114.889 -1.05 . . . . 0.0 111.136 178.775 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' J' J ' 13' ' ' GLU . . . . . 0.857 ' HG2' ' HB2' ' L' ' 9' ' ' SER . 18.2 mt-10 -61.58 -38.15 86.51 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 178.666 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' J' J ' 14' ' ' ALA . . . . . . . . . . . . . . . -80.18 -30.97 38.86 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.333 178.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' J' J ' 15' ' ' LEU . . . . . 0.632 ' HB2' ' HA ' ' J' ' 12' ' ' VAL . 11.0 mt -59.21 -61.69 2.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.824 -0.625 . . . . 0.0 112.06 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' J' J ' 16' ' ' TYR . . . . . 0.997 ' HB3' ' HE2' ' J' ' 24' ' ' PHE . 2.3 p90 -73.7 -4.07 32.19 Favored 'General case' 0 C--O 1.227 -0.111 0 C-N-CA 119.803 -0.759 . . . . 0.0 110.804 -179.196 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' J' J ' 17' ' ' LEU . . . . . 0.485 ' HB2' ' O ' ' J' ' 13' ' ' GLU . 8.9 tt -78.31 -45.97 21.32 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 177.538 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 87.5 t -73.06 -44.03 57.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.285 -0.871 . . . . 0.0 109.889 178.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' J' J ' 19' ' ' CYS . . . . . . . . . . . . . 77.9 m -67.63 -27.3 66.76 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.6 179.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' J' J ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.11 -101.99 0.73 Allowed Glycine 0 C--N 1.33 0.218 0 CA-C-N 116.078 -0.51 . . . . 0.0 112.991 179.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' J' J ' 21' ' ' GLU . . . . . 0.712 ' HB2' ' HD2' ' L' ' 29' ' ' LYS . 17.6 pt-20 -91.14 -13.66 32.58 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.863 0.364 . . . . 0.0 110.306 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' J' J ' 22' ' ' ARG . . . . . . . . . . . . . 86.7 mtm180 -78.59 140.03 38.52 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.188 179.363 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' J' J ' 23' ' ' GLY . . . . . 0.613 ' HA2' ' HD3' ' L' ' 28' ' ' PRO . . . -84.23 -177.53 51.37 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.571 -0.823 . . . . 0.0 111.75 179.563 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' J' J ' 24' ' ' PHE . . . . . 0.997 ' HE2' ' HB3' ' J' ' 16' ' ' TYR . 15.3 p90 -155.23 167.77 29.25 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.045 0.45 . . . . 0.0 110.926 179.554 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' J' J ' 25' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -114.86 121.05 42.04 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 179.266 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' J' J ' 26' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -120.68 120.36 35.47 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.085 0.469 . . . . 0.0 111.591 -178.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' J' J ' 27' ' ' THR . . . . . . . . . . . . . 1.2 p -115.68 110.68 44.26 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.432 179.01 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' J' J ' 28' ' ' PRO . . . . . 0.593 ' HD3' ' HA2' ' L' ' 23' ' ' GLY . 16.5 Cg_exo -68.4 -11.35 31.7 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 123.205 2.604 . . . . 0.0 113.869 -178.07 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' J' J ' 29' ' ' LYS . . . . . 0.693 ' HD2' ' HB2' ' L' ' 21' ' ' GLU . 78.0 tttt -101.9 -13.12 17.77 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.777 0.322 . . . . 0.0 110.844 -179.181 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' J' J ' 30' ' ' THR . . . . . 0.565 ' O ' HG22 ' I' ' 3' ' ' VAL . 28.0 m . . . . . 0 C--O 1.25 1.12 0 CA-C-O 118.529 -0.748 . . . . 0.0 110.386 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.647 0 N-CA-C 112.088 -0.405 . . . . 0.0 112.088 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' K' K ' 2' ' ' ILE . . . . . 0.52 HD11 HD11 ' L' ' 15' ' ' LEU . 13.7 tt -140.92 -37.69 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' K' K ' 3' ' ' VAL . . . . . 0.574 HG11 ' HA ' ' L' ' 28' ' ' PRO . 15.1 m -68.35 -49.0 70.46 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -179.168 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' K' K ' 4' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -77.44 -9.77 59.07 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.867 -0.333 . . . . 0.0 111.446 179.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' K' K ' 5' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -90.79 -36.61 14.15 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.789 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' K' K ' 6' ' ' CYS . . . . . . . . . . . . . 90.3 m -104.41 -33.95 8.43 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 113.256 0.835 . . . . 0.0 113.256 -177.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' K' K ' 7' ' ' CYS . . . . . 0.499 ' HB2' HD11 ' L' ' 11' ' ' LEU . 8.5 t -86.57 35.91 0.68 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.184 0.516 . . . . 0.0 110.719 -179.668 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' K' K ' 8' ' ' THR . . . . . 0.497 ' C ' HG13 ' H' ' 2' ' ' VAL . 5.6 t -119.54 -61.52 1.61 Allowed 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 178.505 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' K' K ' 9' ' ' SER . . . . . 0.476 ' O ' ' HB ' ' K' ' 10' ' ' ILE . 49.9 m -137.47 22.06 2.94 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 121.766 -0.584 . . . . 0.0 110.611 178.142 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' K' K ' 10' ' ' ILE . . . . . 0.547 HD12 HG12 ' H' ' 2' ' ' VAL . 2.7 mp 75.72 137.46 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 C-N-CA 123.611 0.764 . . . . 0.0 110.309 -178.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' K' K ' 11' ' ' CYS . . . . . . . . . . . . . 51.4 m -92.68 172.73 8.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.312 0.577 . . . . 0.0 111.124 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' K' K ' 12' ' ' SER . . . . . 0.592 ' HB3' ' HG3' ' K' ' 15' ' ' GLN . 40.4 t -85.82 150.44 24.55 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 177.632 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' K' K ' 13' ' ' LEU . . . . . . . . . . . . . 9.3 tt -58.59 -33.09 69.59 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.102 0.477 . . . . 0.0 110.259 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -73.14 -31.07 64.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.944 179.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' K' K ' 15' ' ' GLN . . . . . 0.592 ' HG3' ' HB3' ' K' ' 12' ' ' SER . 87.9 mt-30 -70.1 -33.82 72.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.875 0.369 . . . . 0.0 111.054 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' K' K ' 16' ' ' LEU . . . . . . . . . . . . . 77.8 mt -66.32 -29.15 69.29 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.886 0.374 . . . . 0.0 110.624 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' K' K ' 17' ' ' GLU . . . . . 0.69 ' HA ' ' SG ' ' K' ' 20' ' ' CYS . 64.5 tt0 -71.67 -13.47 61.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.547 179.555 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' K' K ' 18' ' ' ASN . . . . . 0.49 ' HB2' ' O ' ' K' ' 15' ' ' GLN . 3.6 m120 -69.73 -16.58 63.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.327 178.698 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' K' K ' 19' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -106.75 5.39 28.63 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.226 -178.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' K' K ' 20' ' ' CYS . . . . . 0.69 ' SG ' ' HA ' ' K' ' 17' ' ' GLU . 84.9 m -74.08 84.22 1.8 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.795 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' K' K ' 21' ' ' ASN . . . . . 0.424 HD22 ' HA ' ' K' ' 21' ' ' ASN . 0.4 OUTLIER . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.195 -0.907 . . . . 0.0 111.458 178.621 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' L' L ' 1' ' ' PHE . . . . . . . . . . . . . 19.3 t80 . . . . . 0 N--CA 1.48 1.073 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' L' L ' 2' ' ' VAL . . . . . 0.641 ' HB ' ' CD1' ' L' ' 6' ' ' LEU . 13.3 m -65.56 102.27 0.42 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 CA-C-O 121.334 0.588 . . . . 0.0 110.724 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' L' L ' 3' ' ' ASN . . . . . 0.536 ' O ' ' HB3' ' L' ' 7' ' ' CYS . 45.3 t30 -165.34 -69.01 0.03 OUTLIER 'General case' 0 C--O 1.215 -0.745 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.025 -179.289 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' L' L ' 4' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -53.21 -46.16 68.94 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.879 0.371 . . . . 0.0 111.935 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' L' L ' 5' ' ' HIS . . . . . . . . . . . . . 54.0 t60 -81.79 -2.99 52.78 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -178.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' L' L ' 6' ' ' LEU . . . . . 0.641 ' CD1' ' HB ' ' L' ' 2' ' ' VAL . 23.3 mt -115.25 -27.29 7.31 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.199 0.523 . . . . 0.0 110.751 179.641 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' L' L ' 7' ' ' CYS . . . . . 0.536 ' HB3' ' O ' ' L' ' 3' ' ' ASN . 0.0 OUTLIER -92.42 -36.39 13.15 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.136 -178.417 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' L' L ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.34 -34.4 59.33 Favored Glycine 0 C--N 1.336 0.544 0 CA-C-N 116.231 -0.44 . . . . 0.0 113.195 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' L' L ' 9' ' ' SER . . . . . 0.857 ' HB2' ' HG2' ' J' ' 13' ' ' GLU . 85.3 p -67.32 -12.35 59.93 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.861 0.363 . . . . 0.0 111.803 -179.693 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' L' L ' 10' ' ' HIS . . . . . 0.707 ' HA ' ' HG3' ' L' ' 13' ' ' GLU . 99.0 m-70 -110.39 -15.89 13.83 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.709 0.29 . . . . 0.0 110.902 -179.524 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' L' L ' 11' ' ' LEU . . . . . 0.499 HD11 ' HB2' ' K' ' 7' ' ' CYS . 20.0 mt -71.98 -32.21 67.02 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 107.818 -1.178 . . . . 0.0 107.818 177.687 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' L' L ' 12' ' ' VAL . . . . . 0.616 ' HA ' ' HB2' ' L' ' 15' ' ' LEU . 1.6 m -68.21 -28.25 40.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 CA-C-N 114.962 -1.017 . . . . 0.0 111.176 178.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' L' L ' 13' ' ' GLU . . . . . 0.86 ' HG2' ' HB2' ' J' ' 9' ' ' SER . 18.1 mt-10 -61.31 -38.38 86.64 Favored 'General case' 0 CA--C 1.52 -0.181 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 178.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' L' L ' 14' ' ' ALA . . . . . . . . . . . . . . . -80.19 -30.47 38.73 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 114.92 -1.037 . . . . 0.0 110.417 178.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' L' L ' 15' ' ' LEU . . . . . 0.616 ' HB2' ' HA ' ' L' ' 12' ' ' VAL . 10.8 mt -59.61 -61.79 2.36 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.887 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' L' L ' 16' ' ' TYR . . . . . 0.967 ' HB3' ' HE2' ' L' ' 24' ' ' PHE . 2.3 p90 -73.39 -4.52 33.98 Favored 'General case' 0 C--N 1.334 -0.084 0 C-N-CA 119.892 -0.723 . . . . 0.0 110.921 -179.371 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' L' L ' 17' ' ' LEU . . . . . 0.492 ' HB2' ' O ' ' L' ' 13' ' ' GLU . 9.1 tt -78.02 -45.9 22.43 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 177.585 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 88.4 t -73.43 -44.38 54.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.155 -0.93 . . . . 0.0 109.838 178.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' L' L ' 19' ' ' CYS . . . . . . . . . . . . . 74.8 m -66.68 -28.05 68.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.694 179.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' L' L ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.87 -101.95 0.78 Allowed Glycine 0 N--CA 1.452 -0.299 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.776 179.231 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' L' L ' 21' ' ' GLU . . . . . 0.693 ' HB2' ' HD2' ' J' ' 29' ' ' LYS . 17.4 pt-20 -91.34 -13.43 32.55 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.003 0.43 . . . . 0.0 110.482 179.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' L' L ' 22' ' ' ARG . . . . . . . . . . . . . 85.8 mtm180 -78.67 139.5 38.5 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.161 179.053 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' L' L ' 23' ' ' GLY . . . . . 0.593 ' HA2' ' HD3' ' J' ' 28' ' ' PRO . . . -83.78 -178.18 51.77 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.844 -0.693 . . . . 0.0 111.735 179.573 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' L' L ' 24' ' ' PHE . . . . . 0.967 ' HE2' ' HB3' ' L' ' 16' ' ' TYR . 15.4 p90 -154.91 167.45 30.27 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.073 0.463 . . . . 0.0 110.828 179.501 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' L' L ' 25' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -114.25 121.2 42.98 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 179.296 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' L' L ' 26' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -120.87 120.12 34.61 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.169 0.509 . . . . 0.0 111.64 -178.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' L' L ' 27' ' ' THR . . . . . 0.432 ' HA ' ' HD3' ' L' ' 28' ' ' PRO . 1.3 p -115.32 111.49 44.4 Favored Pre-proline 0 C--N 1.321 -0.668 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.342 179.027 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' L' L ' 28' ' ' PRO . . . . . 0.613 ' HD3' ' HA2' ' J' ' 23' ' ' GLY . 15.6 Cg_exo -69.62 -10.68 29.29 Favored 'Trans proline' 0 N--CA 1.473 0.265 0 C-N-CA 123.182 2.588 . . . . 0.0 113.797 -178.096 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' L' L ' 29' ' ' LYS . . . . . 0.712 ' HD2' ' HB2' ' J' ' 21' ' ' GLU . 78.8 tttt . . . . . 0 C--N 1.322 -0.598 0 CA-C-O 120.852 0.358 . . . . 0.0 110.985 -179.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.823 0 N-CA-C 112.026 -0.43 . . . . 0.0 112.026 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.762 HD13 ' HE1' ' B' ' 26' ' ' TYR . 10.7 tt -167.63 -25.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 120.836 0.35 . . . . 0.0 110.668 179.509 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.405 ' CG2' ' HB2' ' B' ' 28' ' ' PRO . 40.0 t -59.59 -75.07 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.518 -0.252 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.139 -179.664 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -59.2 -32.94 70.39 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.3 0.571 . . . . 0.0 110.974 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.429 ' HG2' ' SG ' ' A' ' 11' ' ' CYS . 33.3 tt0 -62.79 -47.75 82.11 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.195 -0.911 . . . . 0.0 112.775 -179.159 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 80.6 m -101.04 -27.31 13.34 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 -177.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 11.9 t -77.95 -2.2 35.73 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 122.093 -0.38 . . . . 0.0 111.121 -178.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.3 t -82.76 -44.52 15.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.023 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.414 ' HA ' ' O ' ' F' ' 2' ' ' VAL . 11.5 p -163.95 27.31 0.08 Allowed 'General case' 0 C--O 1.234 0.282 0 N-CA-C 111.585 0.217 . . . . 0.0 111.585 -179.646 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.861 HD13 ' HB3' ' F' ' 3' ' ' ASN . 1.7 mp 69.71 135.34 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 179.229 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.553 ' HB3' ' HG2' ' A' ' 15' ' ' GLN . 98.3 m -93.46 157.47 16.2 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.883 -1.053 . . . . 0.0 109.572 178.391 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.9 m -72.64 167.92 19.76 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.731 0.301 . . . . 0.0 111.026 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.8 tt -56.31 -52.93 62.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 112.014 -178.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -64.05 -25.4 68.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.766 0.317 . . . . 0.0 111.452 -179.245 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.553 ' HG2' ' HB3' ' A' ' 11' ' ' CYS . 4.5 tp-100 -65.99 -37.82 86.93 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.209 0.528 . . . . 0.0 110.016 179.118 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.638 ' HB3' HD23 ' B' ' 15' ' ' LEU . 70.7 mt -72.92 -29.81 63.41 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.428 -0.806 . . . . 0.0 111.519 -179.483 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.41 ' O ' ' HB2' ' A' ' 20' ' ' CYS . 76.7 tt0 -60.46 -23.65 64.62 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-O 120.967 0.413 . . . . 0.0 111.265 -179.557 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 74.4 m-80 -64.71 -16.38 62.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.333 179.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -106.57 13.45 28.27 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.055 0.455 . . . . 0.0 111.171 -178.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 17' ' ' GLU . 1.1 m -85.12 160.53 19.93 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.392 179.689 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.246 0.872 0 CA-C-O 118.321 -0.847 . . . . 0.0 109.476 179.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 56.7 t80 . . . . . 0 N--CA 1.481 1.093 0 CA-C-O 120.559 0.219 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . 0.415 ' O ' ' HA ' ' I' ' 9' ' ' SER . 33.5 m 46.0 -139.73 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 C-N-CA 123.949 0.9 . . . . 0.0 112.365 -179.132 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . 0.801 ' HB3' HD13 ' I' ' 10' ' ' ILE . 14.8 t-20 -160.22 169.47 23.17 Favored 'General case' 0 C--O 1.237 0.437 0 O-C-N 122.234 -0.291 . . . . 0.0 111.018 -177.547 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -46.26 -36.74 6.45 Favored 'General case' 0 N--CA 1.463 0.198 0 C-N-CA 124.374 1.07 . . . . 0.0 110.827 177.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . 0.567 ' CE1' ' HA ' ' D' ' 17' ' ' LEU . 80.6 t60 -57.79 -17.54 16.47 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 114.754 -1.112 . . . . 0.0 112.914 -179.42 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.468 HD23 ' HA ' ' B' ' 6' ' ' LEU . 12.9 mt -117.38 -47.92 2.63 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . 0.411 ' O ' ' HG ' ' B' ' 11' ' ' LEU . 47.5 t -62.04 -43.38 98.97 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.785 0.326 . . . . 0.0 110.846 -179.013 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.64 -29.67 74.42 Favored Glycine 0 C--N 1.332 0.329 0 C-N-CA 121.018 -0.611 . . . . 0.0 112.544 179.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . 0.468 ' HB3' ' HG2' ' D' ' 13' ' ' GLU . 5.1 m -66.65 -4.22 8.28 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 122.519 0.328 . . . . 0.0 111.705 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -123.03 -14.68 7.53 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.94 -0.304 . . . . 0.0 111.567 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' B' ' 7' ' ' CYS . 30.7 mt -72.97 -17.9 61.42 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 177.756 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.988 HG21 HG21 ' D' ' 12' ' ' VAL . 6.3 m -66.46 -39.03 83.01 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 CA-C-N 114.537 -1.211 . . . . 0.0 110.232 178.127 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.489 ' HG2' ' HB3' ' D' ' 9' ' ' SER . 25.8 mt-10 -61.0 -34.69 75.2 Favored 'General case' 0 CA--C 1.52 -0.209 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 179.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.37 -50.28 68.32 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.206 -0.907 . . . . 0.0 109.957 178.425 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.638 HD23 ' HB3' ' A' ' 16' ' ' LEU . 42.8 mt -61.65 -43.55 98.65 Favored 'General case' 0 C--O 1.226 -0.183 0 CA-C-O 121.521 0.676 . . . . 0.0 109.54 178.635 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . 0.559 ' CD2' ' HE2' ' B' ' 24' ' ' PHE . 0.6 OUTLIER -57.15 -48.02 79.74 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.499 -1.228 . . . . 0.0 111.667 -179.125 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.569 ' HA ' ' CE1' ' D' ' 5' ' ' HIS . 1.9 mm? -59.23 -42.6 91.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.944 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 46.9 t -75.61 -32.3 24.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.703 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . 0.436 ' HB2' ' O ' ' B' ' 15' ' ' LEU . 0.1 OUTLIER -85.5 4.2 36.86 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -178.642 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.96 -114.34 6.27 Favored Glycine 0 CA--C 1.517 0.191 0 C-N-CA 121.115 -0.564 . . . . 0.0 112.754 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -124.81 22.31 8.16 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.981 0.42 . . . . 0.0 110.506 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 36.8 ttm105 -80.22 -43.37 21.57 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.187 0.518 . . . . 0.0 110.691 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 110.27 170.32 19.8 Favored Glycine 0 N--CA 1.446 -0.676 0 N-CA-C 110.59 -1.004 . . . . 0.0 110.59 -178.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . 0.636 ' HZ ' ' HB ' ' B' ' 12' ' ' VAL . 51.0 p90 -153.46 -177.38 6.31 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.294 0.568 . . . . 0.0 110.866 -179.491 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 7.2 p90 -124.2 139.44 53.92 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 178.382 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.762 ' HE1' HD13 ' A' ' 2' ' ' ILE . 16.7 t80 -132.5 87.55 2.43 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 119.632 -0.827 . . . . 0.0 111.818 -178.608 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 9.5 m -116.66 83.67 14.23 Favored Pre-proline 0 C--N 1.315 -0.909 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 177.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . 0.405 ' HB2' ' CG2' ' A' ' 3' ' ' VAL . 72.3 Cg_endo -78.76 -4.31 13.94 Favored 'Trans proline' 0 N--CA 1.459 -0.54 0 C-N-CA 122.89 2.393 . . . . 0.0 112.946 -177.761 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 55.5 tttm -61.7 105.32 0.53 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.038 179.27 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 10.7 m . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.837 -0.601 . . . . 0.0 109.809 -179.287 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.734 0 N-CA-C 111.609 -0.596 . . . . 0.0 111.609 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' C' C ' 2' ' ' ILE . . . . . 0.761 HD13 ' HE1' ' D' ' 26' ' ' TYR . 10.8 tt -169.95 -26.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 120.715 0.293 . . . . 0.0 110.609 179.764 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 3' ' ' VAL . . . . . 0.414 ' CG2' ' HB2' ' D' ' 28' ' ' PRO . 41.5 t -59.74 -75.31 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.226 -0.171 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.135 -179.593 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -59.39 -33.01 70.69 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.2 0.524 . . . . 0.0 110.799 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 5' ' ' GLN . . . . . 0.427 ' HG2' ' SG ' ' C' ' 11' ' ' CYS . 33.9 tt0 -62.15 -47.58 83.88 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.511 -0.768 . . . . 0.0 112.921 -179.288 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 85.9 m -101.36 -27.51 13.12 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 113.665 0.987 . . . . 0.0 113.665 -177.195 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 7' ' ' CYS . . . . . . . . . . . . . 11.1 t -77.58 -1.39 30.51 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.866 -0.334 . . . . 0.0 111.209 -179.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 13.7 t -84.03 -42.77 15.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.796 -0.184 . . . . 0.0 111.319 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 9' ' ' SER . . . . . 0.415 ' HA ' ' O ' ' L' ' 2' ' ' VAL . 13.1 p -165.01 26.95 0.06 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.629 0.252 . . . . 0.0 111.677 -179.754 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . 0.803 HD13 ' HB3' ' L' ' 3' ' ' ASN . 1.7 mp 69.28 134.4 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 178.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 11' ' ' CYS . . . . . 0.552 ' HB3' ' HG2' ' C' ' 15' ' ' GLN . 97.4 m -92.05 159.0 15.92 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.831 -1.077 . . . . 0.0 109.74 178.427 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 49.3 m -74.28 167.49 21.52 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.654 0.264 . . . . 0.0 111.04 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 8.7 tt -55.98 -51.95 65.89 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.213 -0.449 . . . . 0.0 112.069 -178.478 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -65.2 -24.36 67.34 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.793 0.294 . . . . 0.0 111.793 -179.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . 0.552 ' HG2' ' HB3' ' C' ' 11' ' ' CYS . 4.4 tp-100 -67.16 -38.55 85.65 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.17 0.509 . . . . 0.0 109.806 179.167 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 16' ' ' LEU . . . . . 0.641 ' HB3' HD23 ' D' ' 15' ' ' LEU . 69.2 mt -71.99 -29.71 64.51 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.545 -179.677 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -61.13 -21.62 63.91 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.433 -179.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 75.0 m-80 -68.01 -12.72 61.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.85 0.357 . . . . 0.0 111.301 179.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 19' ' ' TYR . . . . . 0.42 ' HB2' HD22 ' D' ' 15' ' ' LEU . 51.6 m-85 -109.24 13.26 24.44 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.166 0.508 . . . . 0.0 110.868 -179.197 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 1.1 m -85.67 159.11 19.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.198 179.547 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.268 -0.873 . . . . 0.0 109.328 179.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 57.4 t80 . . . . . 0 N--CA 1.482 1.132 0 CA-C-O 120.508 0.194 . . . . 0.0 110.568 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' D' D ' 2' ' ' VAL . . . . . 0.438 ' O ' ' HA ' ' G' ' 9' ' ' SER . 34.0 m 46.67 -139.4 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 C-N-CA 124.051 0.94 . . . . 0.0 112.623 -179.11 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 3' ' ' ASN . . . . . 0.815 ' HB3' HD13 ' G' ' 10' ' ' ILE . 14.8 t-20 -160.95 168.94 23.59 Favored 'General case' 0 C--N 1.328 -0.356 0 O-C-N 122.232 -0.293 . . . . 0.0 110.881 -177.364 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -45.71 -37.2 5.59 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 124.243 1.017 . . . . 0.0 110.968 178.031 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 5' ' ' HIS . . . . . 0.569 ' CE1' ' HA ' ' B' ' 17' ' ' LEU . 79.4 t60 -57.21 -18.47 16.01 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 114.791 -1.095 . . . . 0.0 112.905 -179.358 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 6' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' D' ' 6' ' ' LEU . 13.0 mt -116.32 -47.92 2.73 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 7' ' ' CYS . . . . . . . . . . . . . 49.6 t -62.1 -43.58 98.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.0 -179.05 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.49 -29.54 73.76 Favored Glycine 0 C--N 1.331 0.261 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.537 179.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 9' ' ' SER . . . . . 0.489 ' HB3' ' HG2' ' B' ' 13' ' ' GLU . 4.9 m -66.54 -4.21 8.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.769 0.319 . . . . 0.0 111.639 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 10' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -122.93 -15.11 7.47 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 11' ' ' LEU . . . . . . . . . . . . . 27.9 mt -72.92 -17.98 61.44 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 107.813 -1.18 . . . . 0.0 107.813 177.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 12' ' ' VAL . . . . . 0.988 HG21 HG21 ' B' ' 12' ' ' VAL . 6.3 m -66.45 -38.77 82.45 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 CA-C-N 114.468 -1.242 . . . . 0.0 110.383 178.285 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 13' ' ' GLU . . . . . 0.468 ' HG2' ' HB3' ' B' ' 9' ' ' SER . 25.5 mt-10 -61.22 -34.61 75.39 Favored 'General case' 0 CA--C 1.519 -0.221 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 179.58 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.04 -50.45 68.39 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.996 178.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 15' ' ' LEU . . . . . 0.641 HD23 ' HB3' ' C' ' 16' ' ' LEU . 47.7 mt -61.37 -43.71 98.4 Favored 'General case' 0 C--O 1.226 -0.18 0 CA-C-O 121.68 0.752 . . . . 0.0 109.537 178.592 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 16' ' ' TYR . . . . . 0.553 ' CD2' ' HE2' ' D' ' 24' ' ' PHE . 0.6 OUTLIER -57.22 -47.62 80.84 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 114.273 -1.331 . . . . 0.0 111.723 -179.162 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . 0.567 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 1.9 mm? -59.77 -42.2 92.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.049 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 47.1 t -75.71 -33.44 26.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.51 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 19' ' ' CYS . . . . . 0.424 ' HB2' ' O ' ' D' ' 15' ' ' LEU . 0.1 OUTLIER -83.95 2.63 37.83 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -178.518 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.66 -113.41 5.69 Favored Glycine 0 CA--C 1.519 0.282 0 C-N-CA 120.864 -0.684 . . . . 0.0 113.021 179.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 -126.17 21.6 7.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.191 0.52 . . . . 0.0 110.445 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 22' ' ' ARG . . . . . . . . . . . . . 35.2 ttm105 -79.51 -42.81 24.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.403 0.62 . . . . 0.0 110.783 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 23' ' ' GLY . . . . . . . . . . . . . . . 109.57 170.86 20.4 Favored Glycine 0 N--CA 1.445 -0.766 0 N-CA-C 110.726 -0.949 . . . . 0.0 110.726 -178.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 24' ' ' PHE . . . . . 0.634 ' HZ ' ' HB ' ' D' ' 12' ' ' VAL . 51.2 p90 -154.44 -178.24 7.01 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.348 0.594 . . . . 0.0 111.126 -179.684 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 25' ' ' PHE . . . . . . . . . . . . . 7.6 p90 -122.99 140.62 52.84 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 178.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 26' ' ' TYR . . . . . 0.761 ' HE1' HD13 ' C' ' 2' ' ' ILE . 16.4 t80 -133.62 86.61 2.3 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 119.753 -0.779 . . . . 0.0 112.0 -178.663 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 27' ' ' THR . . . . . . . . . . . . . 8.8 m -115.53 83.9 11.54 Favored Pre-proline 0 C--N 1.316 -0.88 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 177.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 28' ' ' PRO . . . . . 0.414 ' HB2' ' CG2' ' C' ' 3' ' ' VAL . 90.1 Cg_endo -79.65 -2.28 12.09 Favored 'Trans proline' 0 N--CA 1.46 -0.494 0 C-N-CA 122.888 2.392 . . . . 0.0 112.65 -177.726 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 57.0 tttm -64.06 103.12 0.56 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.147 179.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 6.3 m . . . . . 0 C--O 1.246 0.913 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.431 -179.667 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.571 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' E' E ' 2' ' ' ILE . . . . . 0.753 HD13 ' HE1' ' F' ' 26' ' ' TYR . 11.4 tt -168.88 -26.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 120.835 0.35 . . . . 0.0 110.676 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' E' E ' 3' ' ' VAL . . . . . 0.425 ' CG2' ' HB2' ' F' ' 28' ' ' PRO . 40.2 t -59.25 -76.66 0.03 OUTLIER 'Isoleucine or valine' 0 C--O 1.225 -0.218 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.135 -179.711 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' E' E ' 4' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -57.54 -35.25 70.06 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.23 0.538 . . . . 0.0 110.633 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 5' ' ' GLN . . . . . 0.448 ' HG2' ' SG ' ' E' ' 11' ' ' CYS . 33.4 tt0 -60.08 -47.72 84.71 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 113.337 0.865 . . . . 0.0 113.337 -179.518 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' E' E ' 6' ' ' CYS . . . . . . . . . . . . . 81.3 m -101.54 -27.07 13.31 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 -177.166 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 7' ' ' CYS . . . . . . . . . . . . . 12.1 t -78.26 -1.75 34.52 Favored 'General case' 0 C--N 1.322 -0.623 0 O-C-N 122.101 -0.375 . . . . 0.0 111.261 -178.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 15.1 t -83.72 -43.29 15.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.074 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 9' ' ' SER . . . . . 0.425 ' HA ' ' O ' ' J' ' 2' ' ' VAL . 7.6 p -164.19 26.28 0.07 Allowed 'General case' 0 C--O 1.233 0.197 0 CA-C-O 120.682 0.277 . . . . 0.0 111.523 -179.605 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' E' E ' 10' ' ' ILE . . . . . 0.833 HD13 ' HB3' ' J' ' 3' ' ' ASN . 1.7 mp 70.17 136.7 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 CA-C-O 121.737 0.78 . . . . 0.0 112.736 179.27 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' E' E ' 11' ' ' CYS . . . . . 0.573 ' HB3' ' HG2' ' E' ' 15' ' ' GLN . 96.6 m -95.01 157.47 15.88 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.044 -0.98 . . . . 0.0 109.525 178.451 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' E' E ' 12' ' ' SER . . . . . . . . . . . . . 32.7 m -72.28 168.27 18.67 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.629 0.252 . . . . 0.0 111.067 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 8.7 tt -56.74 -52.8 63.57 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -178.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -64.02 -25.7 68.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.676 0.274 . . . . 0.0 111.365 -179.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 15' ' ' GLN . . . . . 0.573 ' HG2' ' HB3' ' E' ' 11' ' ' CYS . 4.8 tp-100 -65.25 -38.75 91.32 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.153 0.501 . . . . 0.0 109.903 179.076 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' E' E ' 16' ' ' LEU . . . . . 0.626 ' HB3' HD23 ' F' ' 15' ' ' LEU . 71.8 mt -72.17 -29.72 64.28 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.576 -179.647 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' E' E ' 17' ' ' GLU . . . . . . . . . . . . . 76.9 tt0 -60.77 -23.53 65.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.967 0.413 . . . . 0.0 111.35 -179.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 18' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -65.93 -13.23 59.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.426 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 19' ' ' TYR . . . . . 0.407 ' HB2' HD22 ' F' ' 15' ' ' LEU . 50.6 m-85 -109.2 13.91 24.14 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.131 0.491 . . . . 0.0 110.851 -179.167 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' E' E ' 20' ' ' CYS . . . . . . . . . . . . . 1.1 m -86.02 159.95 19.45 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.45 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.246 0.891 0 CA-C-O 118.169 -0.92 . . . . 0.0 109.616 179.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 1' ' ' PHE . . . . . . . . . . . . . 56.9 t80 . . . . . 0 N--CA 1.483 1.176 0 CA-C-O 120.196 0.046 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' F' F ' 2' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 9' ' ' SER . 34.6 m 47.09 -139.02 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 C-N-CA 124.072 0.949 . . . . 0.0 112.4 -178.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' F' F ' 3' ' ' ASN . . . . . 0.861 ' HB3' HD13 ' A' ' 10' ' ' ILE . 13.8 t-20 -161.13 169.23 22.77 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 122.228 -0.295 . . . . 0.0 110.848 -177.412 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' F' F ' 4' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -46.43 -36.39 6.5 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 124.103 0.961 . . . . 0.0 111.139 177.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 5' ' ' HIS . . . . . 0.554 ' CE1' ' HA ' ' H' ' 17' ' ' LEU . 80.9 t60 -58.29 -16.92 16.11 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 115.01 -0.995 . . . . 0.0 112.902 -179.416 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' F' F ' 6' ' ' LEU . . . . . 0.443 ' HA ' HD23 ' F' ' 6' ' ' LEU . 12.7 mt -117.65 -48.0 2.6 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 122.217 -0.302 . . . . 0.0 111.793 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' F' F ' 7' ' ' CYS . . . . . 0.403 ' O ' ' HG ' ' F' ' 11' ' ' LEU . 47.1 t -61.74 -44.14 97.49 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.729 0.299 . . . . 0.0 110.905 -179.251 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' F' F ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.08 -30.0 74.36 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.973 -0.632 . . . . 0.0 112.489 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 9' ' ' SER . . . . . 0.5 ' HB3' ' HG2' ' H' ' 13' ' ' GLU . 5.1 m -66.29 -4.64 8.28 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 122.481 0.313 . . . . 0.0 111.704 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' F' F ' 10' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -122.52 -15.22 7.62 Favored 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 111.644 0.239 . . . . 0.0 111.644 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 11' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' F' ' 7' ' ' CYS . 25.8 mt -72.66 -18.15 61.59 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 177.693 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' F' F ' 12' ' ' VAL . . . . . 1.014 HG21 HG21 ' H' ' 12' ' ' VAL . 6.8 m -66.1 -38.73 82.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 CA-C-N 114.735 -1.12 . . . . 0.0 110.566 178.169 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' F' F ' 13' ' ' GLU . . . . . 0.478 ' HG2' ' HB3' ' H' ' 9' ' ' SER . 25.8 mt-10 -61.23 -34.99 76.02 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 179.633 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' F' F ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.7 -51.02 66.89 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.071 178.239 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 15' ' ' LEU . . . . . 0.626 HD23 ' HB3' ' E' ' 16' ' ' LEU . 44.2 mt -60.74 -43.6 97.72 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 121.799 0.809 . . . . 0.0 109.751 178.487 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' F' F ' 16' ' ' TYR . . . . . 0.563 ' CD2' ' HE2' ' F' ' 24' ' ' PHE . 0.6 OUTLIER -57.36 -48.28 79.44 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.178 -1.373 . . . . 0.0 111.71 -179.143 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' F' F ' 17' ' ' LEU . . . . . 0.542 ' HA ' ' CE1' ' H' ' 5' ' ' HIS . 1.9 mm? -58.73 -42.92 89.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.987 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 47.4 t -74.89 -34.85 34.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.612 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 19' ' ' CYS . . . . . 0.426 ' HB2' ' O ' ' F' ' 15' ' ' LEU . 0.1 OUTLIER -83.31 4.29 27.82 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -178.561 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' F' F ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.99 -114.76 6.7 Favored Glycine 0 CA--C 1.519 0.297 0 C-N-CA 120.915 -0.66 . . . . 0.0 112.729 179.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 21' ' ' GLU . . . . . . . . . . . . . 79.9 mt-10 -124.8 22.85 8.08 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.117 0.484 . . . . 0.0 110.745 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 22' ' ' ARG . . . . . . . . . . . . . 35.6 ttm105 -80.96 -41.66 22.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.263 0.554 . . . . 0.0 110.719 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 23' ' ' GLY . . . . . . . . . . . . . . . 108.75 170.8 21.01 Favored Glycine 0 N--CA 1.444 -0.819 0 N-CA-C 110.741 -0.944 . . . . 0.0 110.741 -178.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 24' ' ' PHE . . . . . 0.65 ' HZ ' ' HB ' ' F' ' 12' ' ' VAL . 51.1 p90 -154.13 -177.79 6.67 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.226 0.536 . . . . 0.0 110.974 -179.525 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' F' F ' 25' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -123.33 140.79 52.65 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 178.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 26' ' ' TYR . . . . . 0.753 ' HE1' HD13 ' E' ' 2' ' ' ILE . 17.2 t80 -133.96 85.8 2.23 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 119.519 -0.873 . . . . 0.0 111.977 -178.703 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' F' F ' 27' ' ' THR . . . . . . . . . . . . . 9.8 m -114.62 84.15 9.7 Favored Pre-proline 0 C--N 1.316 -0.85 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 177.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 28' ' ' PRO . . . . . 0.425 ' HB2' ' CG2' ' E' ' 3' ' ' VAL . 97.8 Cg_endo -79.94 -1.71 11.61 Favored 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 122.782 2.322 . . . . 0.0 112.823 -177.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' F' F ' 29' ' ' LYS . . . . . . . . . . . . . 55.6 tttm -63.96 106.49 1.04 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.831 179.23 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 30' ' ' THR . . . . . . . . . . . . . 13.2 m . . . . . 0 C--O 1.248 0.98 0 CA-C-O 118.341 -0.838 . . . . 0.0 109.857 -179.313 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' G' G ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.894 0 N-CA-C 111.93 -0.468 . . . . 0.0 111.93 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' G' G ' 2' ' ' ILE . . . . . 0.758 HD13 ' HE1' ' H' ' 26' ' ' TYR . 11.5 tt -168.64 -27.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 120.743 0.306 . . . . 0.0 110.765 179.498 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' G' G ' 3' ' ' VAL . . . . . 0.424 ' CG2' ' HG3' ' H' ' 4' ' ' GLN . 40.8 t -59.2 -75.87 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.519 -0.213 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.081 -179.521 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' G' G ' 4' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -58.22 -34.47 70.45 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.295 0.569 . . . . 0.0 110.93 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' G' G ' 5' ' ' GLN . . . . . 0.432 ' HG2' ' SG ' ' G' ' 11' ' ' CYS . 32.9 tt0 -60.99 -48.35 82.25 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.467 -0.788 . . . . 0.0 112.912 -179.436 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' G' G ' 6' ' ' CYS . . . . . . . . . . . . . 83.0 m -100.43 -26.97 13.68 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 -177.222 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' G' G ' 7' ' ' CYS . . . . . . . . . . . . . 11.0 t -78.37 -2.32 37.68 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.18 -179.062 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' G' G ' 8' ' ' THR . . . . . . . . . . . . . 11.5 t -82.39 -43.73 16.99 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 121.208 -0.197 . . . . 0.0 111.153 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' G' G ' 9' ' ' SER . . . . . 0.438 ' HA ' ' O ' ' D' ' 2' ' ' VAL . 13.4 p -164.11 26.09 0.07 Allowed 'General case' 0 CA--C 1.53 0.206 0 CA-C-O 120.684 0.278 . . . . 0.0 111.733 -179.41 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' G' G ' 10' ' ' ILE . . . . . 0.815 HD13 ' HB3' ' D' ' 3' ' ' ASN . 1.7 mp 70.28 134.95 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 CA-C-O 121.785 0.802 . . . . 0.0 113.102 179.145 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' G' G ' 11' ' ' CYS . . . . . 0.605 ' HB3' ' HG2' ' G' ' 15' ' ' GLN . 99.8 m -92.75 159.55 15.36 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.698 178.535 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' G' G ' 12' ' ' SER . . . . . . . . . . . . . 50.5 m -74.67 168.7 19.3 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.715 0.293 . . . . 0.0 111.017 179.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' G' G ' 13' ' ' LEU . . . . . . . . . . . . . 8.6 tt -56.2 -54.09 49.37 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.78 -178.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -62.48 -26.02 68.31 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -179.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' G' G ' 15' ' ' GLN . . . . . 0.605 ' HG2' ' HB3' ' G' ' 11' ' ' CYS . 3.4 tp-100 -65.83 -38.56 89.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.3 0.571 . . . . 0.0 109.85 179.523 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' G' G ' 16' ' ' LEU . . . . . 0.648 ' HB3' HD23 ' H' ' 15' ' ' LEU . 68.5 mt -72.4 -29.89 64.15 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.241 -0.891 . . . . 0.0 111.425 -179.515 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' G' G ' 17' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -60.7 -22.55 64.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.951 0.405 . . . . 0.0 111.3 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' G' G ' 18' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -67.05 -13.21 61.7 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.494 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' G' G ' 19' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 -109.13 13.25 24.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.155 0.502 . . . . 0.0 110.605 -179.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' G' G ' 20' ' ' CYS . . . . . . . . . . . . . 1.1 m -85.78 157.82 20.15 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.26 179.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' G' G ' 21' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.252 -0.88 . . . . 0.0 109.436 179.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' H' H ' 1' ' ' PHE . . . . . . . . . . . . . 56.5 t80 . . . . . 0 N--CA 1.479 1.016 0 CA-C-O 120.383 0.135 . . . . 0.0 110.79 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' H' H ' 2' ' ' VAL . . . . . . . . . . . . . 33.5 m 46.37 -140.69 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 C-N-CA 124.13 0.972 . . . . 0.0 112.494 -178.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' H' H ' 3' ' ' ASN . . . . . 0.827 ' HB3' HD13 ' K' ' 10' ' ' ILE . 14.5 t-20 -159.68 169.36 23.88 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 122.207 -0.308 . . . . 0.0 110.942 -177.335 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' H' H ' 4' ' ' GLN . . . . . 0.424 ' HG3' ' CG2' ' G' ' 3' ' ' VAL . 4.3 tt0 -46.23 -36.64 6.3 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 124.192 0.997 . . . . 0.0 110.961 178.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' H' H ' 5' ' ' HIS . . . . . 0.542 ' CE1' ' HA ' ' F' ' 17' ' ' LEU . 79.5 t60 -57.76 -17.86 18.11 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 114.781 -1.1 . . . . 0.0 112.926 -179.509 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' H' H ' 6' ' ' LEU . . . . . 0.46 HD23 ' HA ' ' H' ' 6' ' ' LEU . 12.6 mt -116.81 -47.46 2.7 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 179.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' H' H ' 7' ' ' CYS . . . . . . . . . . . . . 49.5 t -62.47 -43.58 98.47 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.687 0.28 . . . . 0.0 110.932 -179.04 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' H' H ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.57 -29.28 73.12 Favored Glycine 0 C--N 1.332 0.333 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.527 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' H' H ' 9' ' ' SER . . . . . 0.478 ' HB3' ' HG2' ' F' ' 13' ' ' GLU . 4.4 m -66.65 -4.57 9.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.738 0.304 . . . . 0.0 111.725 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' H' H ' 10' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -122.45 -15.0 7.71 Favored 'General case' 0 CA--C 1.514 -0.412 0 C-N-CA 120.98 -0.288 . . . . 0.0 111.683 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' H' H ' 11' ' ' LEU . . . . . . . . . . . . . 28.4 mt -72.78 -17.99 61.53 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 177.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' H' H ' 12' ' ' VAL . . . . . 1.014 HG21 HG21 ' F' ' 12' ' ' VAL . 6.6 m -66.32 -39.37 84.02 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.403 0 CA-C-N 114.612 -1.177 . . . . 0.0 110.337 178.193 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' H' H ' 13' ' ' GLU . . . . . 0.5 ' HG2' ' HB3' ' F' ' 9' ' ' SER . 25.8 mt-10 -60.56 -35.07 75.15 Favored 'General case' 0 CA--C 1.519 -0.215 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 179.694 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' H' H ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.71 -51.09 66.56 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.274 -0.875 . . . . 0.0 110.042 178.299 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' H' H ' 15' ' ' LEU . . . . . 0.648 HD23 ' HB3' ' G' ' 16' ' ' LEU . 45.0 mt -60.87 -43.55 98.24 Favored 'General case' 0 C--O 1.226 -0.156 0 CA-C-O 121.708 0.766 . . . . 0.0 109.63 178.581 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' H' H ' 16' ' ' TYR . . . . . 0.562 ' CD2' ' HE2' ' H' ' 24' ' ' PHE . 0.6 OUTLIER -57.67 -47.62 81.78 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.386 -1.279 . . . . 0.0 111.702 -179.174 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' H' H ' 17' ' ' LEU . . . . . 0.554 ' HA ' ' CE1' ' F' ' 5' ' ' HIS . 1.9 mm? -59.43 -42.27 91.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.017 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 44.0 t -75.52 -33.67 27.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.394 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' H' H ' 19' ' ' CYS . . . . . 0.442 ' HB2' ' O ' ' H' ' 15' ' ' LEU . 0.1 OUTLIER -84.49 4.24 32.71 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 112.597 0.591 . . . . 0.0 112.597 -178.469 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' H' H ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.72 -115.05 6.95 Favored Glycine 0 CA--C 1.52 0.377 0 C-N-CA 120.978 -0.63 . . . . 0.0 112.874 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' H' H ' 21' ' ' GLU . . . . . . . . . . . . . 83.4 mt-10 -124.67 23.42 8.04 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.04 0.448 . . . . 0.0 110.443 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' H' H ' 22' ' ' ARG . . . . . . . . . . . . . 36.1 ttm105 -81.31 -43.16 19.52 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.238 0.542 . . . . 0.0 110.69 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' H' H ' 23' ' ' GLY . . . . . . . . . . . . . . . 109.91 171.0 20.15 Favored Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -178.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' H' H ' 24' ' ' PHE . . . . . 0.621 ' HZ ' ' HB ' ' H' ' 12' ' ' VAL . 51.1 p90 -154.35 -177.76 6.67 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.284 0.564 . . . . 0.0 110.922 -179.419 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' H' H ' 25' ' ' PHE . . . . . . . . . . . . . 7.3 p90 -123.6 140.23 53.21 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 178.259 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' H' H ' 26' ' ' TYR . . . . . 0.758 ' HE1' HD13 ' G' ' 2' ' ' ILE . 17.8 t80 -133.43 85.96 2.25 Favored 'General case' 0 N--CA 1.446 -0.639 0 C-N-CA 119.711 -0.796 . . . . 0.0 112.031 -178.706 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' H' H ' 27' ' ' THR . . . . . . . . . . . . . 11.4 m -114.67 84.58 10.27 Favored Pre-proline 0 C--N 1.318 -0.788 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 177.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' H' H ' 28' ' ' PRO . . . . . 0.413 ' HB2' ' CG2' ' G' ' 3' ' ' VAL . 85.7 Cg_endo -79.81 -3.28 12.72 Favored 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 122.659 2.24 . . . . 0.0 112.953 -177.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' H' H ' 29' ' ' LYS . . . . . . . . . . . . . 55.6 tttm -62.23 105.19 0.57 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.257 179.392 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' H' H ' 30' ' ' THR . . . . . . . . . . . . . 8.8 m . . . . . 0 C--O 1.256 1.413 0 CA-C-O 118.632 -0.699 . . . . 0.0 109.682 -179.553 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' I' I ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.745 0 N-CA-C 112.177 -0.369 . . . . 0.0 112.177 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' I' I ' 2' ' ' ILE . . . . . 0.772 HD13 ' HE1' ' J' ' 26' ' ' TYR . 11.6 tt -166.58 -26.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-O 120.88 0.371 . . . . 0.0 111.115 179.52 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' I' I ' 3' ' ' VAL . . . . . 0.402 ' CG2' ' HB2' ' J' ' 28' ' ' PRO . 38.3 t -59.01 -76.27 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.224 -0.26 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.214 -179.6 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' I' I ' 4' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -57.77 -33.96 69.08 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.372 0.606 . . . . 0.0 111.201 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' I' I ' 5' ' ' GLN . . . . . 0.431 ' HG2' ' SG ' ' I' ' 11' ' ' CYS . 33.0 tt0 -62.18 -47.15 85.75 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.414 -0.812 . . . . 0.0 113.01 -179.55 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' I' I ' 6' ' ' CYS . . . . . . . . . . . . . 81.5 m -101.55 -26.73 13.44 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 113.603 0.964 . . . . 0.0 113.603 -177.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' I' I ' 7' ' ' CYS . . . . . . . . . . . . . 11.4 t -78.47 -2.26 37.66 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 122.085 -0.385 . . . . 0.0 111.154 -179.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' I' I ' 8' ' ' THR . . . . . . . . . . . . . 13.3 t -82.95 -43.53 16.35 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 122.382 -0.199 . . . . 0.0 111.081 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' I' I ' 9' ' ' SER . . . . . 0.415 ' HA ' ' O ' ' B' ' 2' ' ' VAL . 23.1 p -164.01 26.14 0.07 Allowed 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 111.608 0.225 . . . . 0.0 111.608 -179.723 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' I' I ' 10' ' ' ILE . . . . . 0.801 HD13 ' HB3' ' B' ' 3' ' ' ASN . 1.7 mp 70.63 136.24 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.574 0 CA-C-O 121.987 0.898 . . . . 0.0 112.869 179.007 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' I' I ' 11' ' ' CYS . . . . . 0.582 ' HB3' ' HG2' ' I' ' 15' ' ' GLN . 97.1 m -95.06 157.5 15.87 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.026 -0.988 . . . . 0.0 109.51 178.649 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' I' I ' 12' ' ' SER . . . . . . . . . . . . . 50.7 m -72.55 166.82 21.93 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.882 0.372 . . . . 0.0 111.027 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' I' I ' 13' ' ' LEU . . . . . . . . . . . . . 8.5 tt -55.16 -53.05 60.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.92 -178.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -63.97 -24.59 67.78 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.642 0.238 . . . . 0.0 111.642 -179.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' I' I ' 15' ' ' GLN . . . . . 0.582 ' HG2' ' HB3' ' I' ' 11' ' ' CYS . 3.8 tp-100 -67.12 -38.05 84.94 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.17 0.509 . . . . 0.0 109.941 179.208 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' I' I ' 16' ' ' LEU . . . . . 0.666 ' HB3' HD23 ' J' ' 15' ' ' LEU . 65.7 mt -72.7 -29.57 63.5 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.432 -179.679 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' I' I ' 17' ' ' GLU . . . . . . . . . . . . . 77.4 tt0 -61.05 -21.84 64.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.779 0.323 . . . . 0.0 111.322 -179.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' I' I ' 18' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -67.36 -13.58 62.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.749 0.309 . . . . 0.0 111.279 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' I' I ' 19' ' ' TYR . . . . . 0.43 ' HB2' HD22 ' J' ' 15' ' ' LEU . 52.1 m-85 -108.72 13.98 24.7 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.119 0.485 . . . . 0.0 110.745 -179.084 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' I' I ' 20' ' ' CYS . . . . . . . . . . . . . 1.1 m -86.89 157.43 19.53 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.306 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' I' I ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.247 0.925 0 CA-C-O 118.379 -0.82 . . . . 0.0 109.465 179.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' J' J ' 1' ' ' PHE . . . . . . . . . . . . . 55.7 t80 . . . . . 0 N--CA 1.482 1.146 0 CA-C-O 120.378 0.132 . . . . 0.0 110.665 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' J' J ' 2' ' ' VAL . . . . . 0.425 ' O ' ' HA ' ' E' ' 9' ' ' SER . 33.9 m 47.08 -139.33 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 C-N-CA 124.12 0.968 . . . . 0.0 112.484 -178.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' J' J ' 3' ' ' ASN . . . . . 0.833 ' HB3' HD13 ' E' ' 10' ' ' ILE . 14.0 t-20 -161.71 168.67 22.87 Favored 'General case' 0 C--O 1.237 0.419 0 O-C-N 122.236 -0.29 . . . . 0.0 110.734 -177.373 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' J' J ' 4' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -45.59 -36.54 4.78 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 124.604 1.161 . . . . 0.0 111.092 177.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' J' J ' 5' ' ' HIS . . . . . 0.595 ' CE1' ' HA ' ' L' ' 17' ' ' LEU . 80.7 t60 -58.5 -17.5 21.74 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 114.796 -1.093 . . . . 0.0 112.861 -179.224 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' J' J ' 6' ' ' LEU . . . . . 0.484 HD23 ' HA ' ' J' ' 6' ' ' LEU . 12.9 mt -116.92 -47.69 2.68 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' J' J ' 7' ' ' CYS . . . . . . . . . . . . . 47.9 t -62.41 -43.73 98.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.581 0.229 . . . . 0.0 110.872 -178.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' J' J ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.58 -29.48 73.74 Favored Glycine 0 C--N 1.33 0.234 0 C-N-CA 120.993 -0.623 . . . . 0.0 112.512 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' J' J ' 9' ' ' SER . . . . . 0.482 ' HB3' ' HG2' ' L' ' 13' ' ' GLU . 4.7 m -66.55 -4.39 8.42 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 122.362 0.265 . . . . 0.0 111.679 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' J' J ' 10' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -122.72 -15.0 7.6 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 121.036 -0.266 . . . . 0.0 111.662 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' J' J ' 11' ' ' LEU . . . . . . . . . . . . . 27.4 mt -72.8 -17.74 61.54 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 177.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' J' J ' 12' ' ' VAL . . . . . 0.976 HG21 HG21 ' L' ' 12' ' ' VAL . 6.4 m -66.71 -38.78 82.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 CA-C-N 114.481 -1.236 . . . . 0.0 110.372 178.262 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' J' J ' 13' ' ' GLU . . . . . 0.486 ' HG2' ' HB3' ' L' ' 9' ' ' SER . 25.7 mt-10 -61.45 -34.42 75.39 Favored 'General case' 0 CA--C 1.52 -0.21 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 179.732 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' J' J ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.42 -50.47 67.43 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.984 178.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' J' J ' 15' ' ' LEU . . . . . 0.666 HD23 ' HB3' ' I' ' 16' ' ' LEU . 47.1 mt -61.2 -43.74 98.4 Favored 'General case' 0 C--O 1.225 -0.23 0 CA-C-O 121.817 0.818 . . . . 0.0 109.651 178.473 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' J' J ' 16' ' ' TYR . . . . . 0.557 ' CD2' ' HE2' ' J' ' 24' ' ' PHE . 0.7 OUTLIER -56.91 -48.19 78.82 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.209 -1.36 . . . . 0.0 111.811 -179.264 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' J' J ' 17' ' ' LEU . . . . . 0.569 ' HA ' ' CE1' ' L' ' 5' ' ' HIS . 1.9 mm? -59.69 -41.29 90.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.932 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 48.0 t -76.41 -33.61 23.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.344 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' J' J ' 19' ' ' CYS . . . . . 0.428 ' HB2' ' O ' ' J' ' 15' ' ' LEU . 0.1 OUTLIER -84.22 4.22 31.76 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 -178.649 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' J' J ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.84 -114.19 6.08 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.949 -0.644 . . . . 0.0 112.862 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' J' J ' 21' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -126.27 25.39 6.64 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.203 0.525 . . . . 0.0 110.358 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' J' J ' 22' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' J' ' 22' ' ' ARG . 34.4 ttm105 -83.36 -41.68 17.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.475 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' J' J ' 23' ' ' GLY . . . . . . . . . . . . . . . 108.94 171.04 20.88 Favored Glycine 0 N--CA 1.447 -0.602 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 -178.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' J' J ' 24' ' ' PHE . . . . . 0.642 ' HZ ' ' HB ' ' J' ' 12' ' ' VAL . 51.2 p90 -154.24 -177.6 6.55 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.203 0.525 . . . . 0.0 110.897 -179.6 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' J' J ' 25' ' ' PHE . . . . . . . . . . . . . 7.5 p90 -123.88 139.9 53.51 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 178.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' J' J ' 26' ' ' TYR . . . . . 0.772 ' HE1' HD13 ' I' ' 2' ' ' ILE . 17.1 t80 -133.12 86.47 2.31 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 119.683 -0.807 . . . . 0.0 112.084 -178.719 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' J' J ' 27' ' ' THR . . . . . . . . . . . . . 11.3 m -115.62 84.19 12.15 Favored Pre-proline 0 C--N 1.317 -0.846 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 177.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' J' J ' 28' ' ' PRO . . . . . 0.402 ' HB2' ' CG2' ' I' ' 3' ' ' VAL . 77.2 Cg_endo -79.43 -3.28 12.89 Favored 'Trans proline' 0 C--O 1.236 0.376 0 C-N-CA 122.902 2.402 . . . . 0.0 112.884 -177.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' J' J ' 29' ' ' LYS . . . . . . . . . . . . . 53.9 tttm -62.65 102.65 0.35 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.265 0.555 . . . . 0.0 110.168 179.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' J' J ' 30' ' ' THR . . . . . . . . . . . . . 7.6 m . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.481 -0.771 . . . . 0.0 109.705 -179.718 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.474 0 N-CA-C 111.78 -0.528 . . . . 0.0 111.78 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' K' K ' 2' ' ' ILE . . . . . 0.774 HD13 ' HE1' ' L' ' 26' ' ' TYR . 11.6 tt -167.18 -26.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 O-C-N 122.495 -0.415 . . . . 0.0 110.938 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' K' K ' 3' ' ' VAL . . . . . 0.409 ' CG2' ' HB2' ' L' ' 28' ' ' PRO . 40.8 t -59.0 -76.59 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.032 -179.677 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' K' K ' 4' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -57.76 -34.37 69.48 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.032 0.444 . . . . 0.0 110.849 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' K' K ' 5' ' ' GLN . . . . . 0.425 ' HG2' ' SG ' ' K' ' 11' ' ' CYS . 32.4 tt0 -61.67 -47.54 84.89 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 -179.374 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' K' K ' 6' ' ' CYS . . . . . . . . . . . . . 82.1 m -101.32 -26.98 13.43 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 113.548 0.944 . . . . 0.0 113.548 -177.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' K' K ' 7' ' ' CYS . . . . . . . . . . . . . 11.7 t -78.39 -1.73 34.88 Favored 'General case' 0 C--N 1.321 -0.664 0 O-C-N 121.879 -0.513 . . . . 0.0 111.274 -178.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' K' K ' 8' ' ' THR . . . . . . . . . . . . . 13.5 t -83.0 -44.44 15.24 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.631 -0.259 . . . . 0.0 110.979 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' K' K ' 9' ' ' SER . . . . . . . . . . . . . 11.9 p -163.3 26.18 0.09 Allowed 'General case' 0 C--O 1.232 0.173 0 CA-C-O 120.555 0.217 . . . . 0.0 111.509 -179.575 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' K' K ' 10' ' ' ILE . . . . . 0.827 HD13 ' HB3' ' H' ' 3' ' ' ASN . 1.7 mp 70.56 136.24 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 CA-C-O 121.86 0.838 . . . . 0.0 112.871 179.132 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' K' K ' 11' ' ' CYS . . . . . 0.588 ' HB3' ' HG2' ' K' ' 15' ' ' GLN . 98.4 m -94.69 157.58 15.89 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.087 -0.961 . . . . 0.0 109.592 178.452 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' K' K ' 12' ' ' SER . . . . . . . . . . . . . 46.9 m -71.89 168.01 18.83 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.72 0.295 . . . . 0.0 111.236 179.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' K' K ' 13' ' ' LEU . . . . . . . . . . . . . 8.5 tt -56.61 -52.92 63.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.851 -178.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -63.95 -25.08 67.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.647 0.26 . . . . 0.0 111.686 -179.279 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' K' K ' 15' ' ' GLN . . . . . 0.588 ' HG2' ' HB3' ' K' ' 11' ' ' CYS . 3.7 tp-100 -66.83 -38.13 85.84 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.217 0.532 . . . . 0.0 109.819 179.584 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' K' K ' 16' ' ' LEU . . . . . 0.673 ' HB3' HD23 ' L' ' 15' ' ' LEU . 67.5 mt -72.57 -29.55 63.63 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.363 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' K' K ' 17' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -61.21 -21.52 63.91 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 121.014 0.435 . . . . 0.0 111.542 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' K' K ' 18' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -67.47 -14.65 63.12 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.939 0.4 . . . . 0.0 111.207 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' K' K ' 19' ' ' TYR . . . . . 0.435 ' HB2' HD22 ' L' ' 15' ' ' LEU . 50.4 m-85 -107.42 13.42 26.97 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.025 0.44 . . . . 0.0 110.984 -179.099 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' K' K ' 20' ' ' CYS . . . . . . . . . . . . . 1.1 m -85.6 158.71 20.04 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.323 179.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' K' K ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.247 0.958 0 CA-C-O 118.224 -0.893 . . . . 0.0 109.345 179.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' L' L ' 1' ' ' PHE . . . . . . . . . . . . . 57.2 t80 . . . . . 0 N--CA 1.483 1.191 0 CA-C-O 120.301 0.096 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' L' L ' 2' ' ' VAL . . . . . 0.415 ' O ' ' HA ' ' C' ' 9' ' ' SER . 33.6 m 46.51 -139.6 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 C-N-CA 123.92 0.888 . . . . 0.0 112.536 -179.027 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' L' L ' 3' ' ' ASN . . . . . 0.803 ' HB3' HD13 ' C' ' 10' ' ' ILE . 16.2 t-20 -161.3 168.53 23.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 122.259 -0.275 . . . . 0.0 110.942 -177.388 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' L' L ' 4' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -45.26 -36.49 4.01 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 124.407 1.083 . . . . 0.0 111.082 178.02 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' L' L ' 5' ' ' HIS . . . . . 0.569 ' CE1' ' HA ' ' J' ' 17' ' ' LEU . 80.6 t60 -58.08 -17.92 21.3 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 114.817 -1.083 . . . . 0.0 112.991 -179.507 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' L' L ' 6' ' ' LEU . . . . . 0.461 HD23 ' HA ' ' L' ' 6' ' ' LEU . 13.0 mt -116.74 -48.12 2.68 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.038 0.384 . . . . 0.0 112.038 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' L' L ' 7' ' ' CYS . . . . . 0.402 ' O ' ' HG ' ' L' ' 11' ' ' LEU . 46.8 t -61.81 -44.17 97.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.643 0.258 . . . . 0.0 110.876 -179.071 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' L' L ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.0 -29.2 71.94 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.617 179.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' L' L ' 9' ' ' SER . . . . . 0.486 ' HB3' ' HG2' ' J' ' 13' ' ' GLU . 5.3 m -66.77 -4.57 9.41 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 122.392 0.277 . . . . 0.0 111.656 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' L' L ' 10' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -122.75 -14.54 7.68 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.651 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' L' L ' 11' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' L' ' 7' ' ' CYS . 26.5 mt -73.51 -17.49 61.21 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 177.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' L' L ' 12' ' ' VAL . . . . . 0.976 HG21 HG21 ' J' ' 12' ' ' VAL . 6.2 m -66.77 -38.9 82.45 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 CA-C-N 114.682 -1.145 . . . . 0.0 110.342 178.313 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' L' L ' 13' ' ' GLU . . . . . 0.482 ' HG2' ' HB3' ' J' ' 9' ' ' SER . 25.7 mt-10 -61.01 -34.74 75.29 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 179.698 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' L' L ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.27 -50.55 67.49 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.058 178.412 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' L' L ' 15' ' ' LEU . . . . . 0.673 HD23 ' HB3' ' K' ' 16' ' ' LEU . 44.7 mt -61.28 -43.73 98.4 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-O 121.776 0.798 . . . . 0.0 109.555 178.493 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' L' L ' 16' ' ' TYR . . . . . 0.566 ' CD2' ' HE2' ' L' ' 24' ' ' PHE . 0.6 OUTLIER -57.02 -47.86 79.87 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.418 -1.264 . . . . 0.0 111.841 -179.265 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' L' L ' 17' ' ' LEU . . . . . 0.595 ' HA ' ' CE1' ' J' ' 5' ' ' HIS . 1.9 mm? -59.54 -41.93 91.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.933 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 45.7 t -76.24 -32.71 22.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.467 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' L' L ' 19' ' ' CYS . . . . . 0.443 ' HB2' ' O ' ' L' ' 15' ' ' LEU . 0.1 OUTLIER -85.33 4.39 35.37 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -178.64 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' L' L ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.57 -114.76 6.59 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.971 -0.633 . . . . 0.0 112.776 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' L' L ' 21' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -125.18 24.54 7.42 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.023 0.44 . . . . 0.0 110.407 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' L' L ' 22' ' ' ARG . . . . . . . . . . . . . 34.4 ttm105 -82.0 -42.33 19.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.343 0.592 . . . . 0.0 110.453 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' L' L ' 23' ' ' GLY . . . . . . . . . . . . . . . 109.22 170.83 20.65 Favored Glycine 0 N--CA 1.443 -0.841 0 N-CA-C 110.596 -1.001 . . . . 0.0 110.596 -178.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' L' L ' 24' ' ' PHE . . . . . 0.642 ' HZ ' ' HB ' ' L' ' 12' ' ' VAL . 51.2 p90 -153.96 -177.38 6.36 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.325 0.583 . . . . 0.0 110.997 -179.628 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' L' L ' 25' ' ' PHE . . . . . . . . . . . . . 7.4 p90 -123.93 140.08 53.33 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 178.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' L' L ' 26' ' ' TYR . . . . . 0.774 ' HE1' HD13 ' K' ' 2' ' ' ILE . 17.6 t80 -133.38 85.94 2.25 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 119.674 -0.81 . . . . 0.0 112.066 -178.537 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' L' L ' 27' ' ' THR . . . . . . . . . . . . . 10.0 m -114.81 84.81 10.81 Favored Pre-proline 0 C--N 1.316 -0.857 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 177.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' L' L ' 28' ' ' PRO . . . . . 0.409 ' HB2' ' CG2' ' K' ' 3' ' ' VAL . 71.6 Cg_endo -80.34 -2.15 11.8 Favored 'Trans proline' 0 N--CA 1.461 -0.426 0 C-N-CA 122.872 2.382 . . . . 0.0 112.803 -177.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' L' L ' 29' ' ' LYS . . . . . . . . . . . . . 55.1 tttm . . . . . 0 C--N 1.327 -0.371 0 CA-C-O 121.399 0.619 . . . . 0.0 110.335 179.412 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.96 0 N-CA-C 111.631 -0.588 . . . . 0.0 111.631 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.6 tt -67.72 -37.57 78.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.649 0.261 . . . . 0.0 110.732 -179.299 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.584 ' O ' ' HB3' ' A' ' 7' ' ' CYS . 87.5 t -73.06 -45.09 55.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.928 0.87 . . . . 0.0 109.24 178.55 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -59.67 -29.49 68.11 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 114.57 -1.195 . . . . 0.0 111.544 179.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -101.35 -46.86 4.88 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 -177.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.492 ' HB3' ' HB2' ' A' ' 11' ' ' CYS . 39.6 m -108.05 8.41 28.22 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 -175.604 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.761 ' HB2' HD11 ' B' ' 11' ' ' LEU . 8.6 t -111.22 -13.56 13.97 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 121.514 0.673 . . . . 0.0 110.042 178.496 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.1 t -75.05 -14.99 60.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.317 0.58 . . . . 0.0 109.673 178.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.0 t 179.57 169.8 1.09 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 107.068 -1.456 . . . . 0.0 107.068 179.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.482 HG12 ' HB3' ' F' ' 5' ' ' HIS . 1.6 mp -62.66 120.36 8.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.861 0.838 . . . . 0.0 110.866 -179.29 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.492 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 2.8 t -80.59 160.77 25.02 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.257 -1.338 . . . . 0.0 110.596 -178.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.556 ' HB2' ' HB2' ' A' ' 15' ' ' GLN . 7.3 m -72.49 141.27 48.56 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.112 179.523 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.3 tt -58.21 -47.55 83.13 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 123.419 0.449 . . . . 0.0 110.99 -179.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -69.12 -25.18 64.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.435 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.556 ' HB2' ' HB2' ' A' ' 12' ' ' SER . 5.4 tt0 -72.61 -37.34 68.11 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.162 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.511 HD13 ' HB1' ' B' ' 14' ' ' ALA . 75.6 mt -73.63 -25.35 60.26 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.087 178.742 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -65.96 -25.04 66.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.632 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -78.11 -4.07 45.55 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.888 179.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 8.5 m-30 -89.59 -97.17 0.1 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.437 179.563 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.47 ' HB3' ' H ' ' A' ' 21' ' ' ASN . 52.3 m 55.44 -138.06 1.09 Allowed 'General case' 0 C--O 1.233 0.205 0 O-C-N 123.241 0.338 . . . . 0.0 110.879 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.731 ' HB2' ' HA ' ' B' ' 24' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--O 1.248 1.003 0 CA-C-O 117.921 -1.038 . . . . 0.0 109.268 179.411 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 5.6 p90 . . . . . 0 N--CA 1.481 1.117 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . 0.482 HG11 HD12 ' B' ' 6' ' ' LEU . 33.1 m -118.59 -156.2 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.8 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 28.1 t30 -143.74 -177.27 5.33 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.998 0.428 . . . . 0.0 111.137 -178.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -43.13 -39.9 3.01 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 114.562 -1.199 . . . . 0.0 112.61 179.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . 0.479 ' HB3' HG12 ' I' ' 10' ' ' ILE . 10.6 t60 -49.69 -47.26 50.41 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -179.509 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.482 HD12 HG11 ' B' ' 2' ' ' VAL . 43.2 mt -86.6 -24.68 25.29 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.412 -178.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 43.7 t -68.26 -46.34 70.69 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 177.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . 0.478 ' HA2' ' HG ' ' B' ' 11' ' ' LEU . . . -67.62 -20.33 71.89 Favored Glycine 0 N--CA 1.449 -0.462 0 CA-C-N 115.42 -0.809 . . . . 0.0 112.728 179.253 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . 0.459 ' HB3' ' O ' ' B' ' 6' ' ' LEU . 2.0 t -60.98 -19.11 60.74 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.466 0.651 . . . . 0.0 109.729 178.463 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -109.99 -20.69 12.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.851 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.761 HD11 ' HB2' ' A' ' 7' ' ' CYS . 73.4 mt -66.35 -30.86 71.34 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 178.708 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.484 ' O ' ' HB2' ' B' ' 16' ' ' TYR . 20.4 m -67.35 -33.27 61.53 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.121 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.334 178.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 74.4 mt-10 -57.3 -53.94 52.41 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-O 121.408 0.623 . . . . 0.0 110.167 179.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . 0.511 ' HB1' HD13 ' A' ' 16' ' ' LEU . . . -56.05 -56.12 24.68 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.879 -1.055 . . . . 0.0 111.878 -179.51 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 89.7 mt -55.17 -46.33 75.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.158 0.504 . . . . 0.0 111.637 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . 0.566 ' HE2' ' HE2' ' D' ' 26' ' ' TYR . 0.2 OUTLIER -62.15 -54.19 44.65 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.995 -178.745 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.422 HD13 ' NE2' ' D' ' 5' ' ' HIS . 4.3 mm? -60.97 -46.12 92.02 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 -178.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 99.1 t -66.12 -40.23 86.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 -179.238 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -76.29 -23.57 54.38 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.759 -179.182 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.11 -132.49 11.12 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.425 179.424 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.503 ' OE2' ' HB2' ' D' ' 5' ' ' HIS . 26.9 mm-40 -88.34 49.55 1.81 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.441 0.639 . . . . 0.0 109.702 179.331 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -125.3 -177.2 3.8 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.457 179.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . 0.809 ' HA2' ' HD2' ' D' ' 28' ' ' PRO . . . -113.27 175.69 16.77 Favored Glycine 0 N--CA 1.44 -1.045 0 C-N-CA 120.324 -0.941 . . . . 0.0 112.52 179.622 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . 0.731 ' HA ' ' HB2' ' A' ' 21' ' ' ASN . 5.7 p90 -151.34 141.54 22.28 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-O 121.488 0.661 . . . . 0.0 111.017 179.22 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . 0.487 ' HA ' ' HA ' ' D' ' 25' ' ' PHE . 11.0 p90 -99.12 101.32 12.63 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 106.926 -1.509 . . . . 0.0 106.926 177.432 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.573 ' HE2' ' HE2' ' D' ' 16' ' ' TYR . 12.0 t80 -107.14 102.96 12.25 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.45 -177.406 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . 0.696 ' HA ' ' HA3' ' D' ' 23' ' ' GLY . 0.5 OUTLIER -114.34 82.29 7.35 Favored Pre-proline 0 C--N 1.321 -0.662 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.441 -179.029 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . 0.808 ' HD2' ' HA2' ' D' ' 23' ' ' GLY . 48.9 Cg_endo -70.48 82.3 0.91 Allowed 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.522 2.148 . . . . 0.0 110.452 178.638 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -134.05 149.21 51.15 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.597 -178.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 22.5 m . . . . . 0 C--O 1.254 1.29 0 CA-C-O 118.22 -0.895 . . . . 0.0 108.974 178.856 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.736 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 14.5 tt -63.89 -39.96 87.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.838 0.319 . . . . 0.0 111.09 -179.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 3' ' ' VAL . . . . . 0.589 ' O ' ' HB3' ' C' ' 7' ' ' CYS . 94.2 t -71.16 -44.63 73.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.722 0.772 . . . . 0.0 109.436 178.602 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -59.72 -30.19 68.64 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 114.644 -1.162 . . . . 0.0 111.688 179.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -100.82 -46.86 5.0 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 -177.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 6' ' ' CYS . . . . . 0.492 ' HB3' ' HB2' ' C' ' 11' ' ' CYS . 40.5 m -107.65 8.6 29.16 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 115.017 1.488 . . . . 0.0 115.017 -175.63 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 7' ' ' CYS . . . . . 0.761 ' HB2' HD11 ' D' ' 11' ' ' LEU . 8.6 t -111.28 -13.91 13.88 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 118.737 0.699 . . . . 0.0 110.139 178.693 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 10.3 t -75.4 -13.43 60.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.308 0.575 . . . . 0.0 109.78 178.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 25.9 t 178.29 169.28 0.79 Allowed 'General case' 0 CA--C 1.513 -0.47 0 N-CA-C 107.165 -1.42 . . . . 0.0 107.165 179.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . 0.478 HG12 ' HB3' ' L' ' 5' ' ' HIS . 1.6 mp -62.25 121.5 10.92 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.715 0 CA-C-O 121.965 0.888 . . . . 0.0 110.644 -179.399 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 11' ' ' CYS . . . . . 0.492 ' HB2' ' HB3' ' C' ' 6' ' ' CYS . 2.7 t -82.12 159.99 23.23 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 114.349 -1.296 . . . . 0.0 110.535 -178.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . 0.576 ' HB2' ' HB2' ' C' ' 15' ' ' GLN . 6.8 m -71.37 140.9 50.34 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.304 179.595 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 10.3 tt -57.78 -47.37 82.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.991 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -68.68 -26.12 65.14 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.481 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . 0.576 ' HB2' ' HB2' ' C' ' 12' ' ' SER . 5.5 tt0 -71.14 -39.5 71.93 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 179.048 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 16' ' ' LEU . . . . . 0.519 HD13 ' HB1' ' D' ' 14' ' ' ALA . 73.8 mt -71.61 -25.66 62.26 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.092 178.625 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -66.44 -22.81 66.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.588 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -81.31 -0.65 41.92 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.786 179.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -92.85 -96.68 0.14 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.286 179.382 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 20' ' ' CYS . . . . . 0.46 ' HB3' ' H ' ' C' ' 21' ' ' ASN . 53.1 m 55.08 -138.42 1.08 Allowed 'General case' 0 N--CA 1.465 0.308 0 O-C-N 123.18 0.3 . . . . 0.0 111.127 179.765 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 21' ' ' ASN . . . . . 0.714 ' HB2' ' HA ' ' D' ' 24' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--O 1.251 1.134 0 CA-C-O 118.48 -0.771 . . . . 0.0 109.14 179.327 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 5.7 p90 . . . . . 0 N--CA 1.48 1.072 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' D' D ' 2' ' ' VAL . . . . . 0.469 HG11 HD12 ' D' ' 6' ' ' LEU . 32.7 m -119.28 -156.94 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.835 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 3' ' ' ASN . . . . . . . . . . . . . 25.7 t30 -142.53 -177.14 5.14 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.842 0.353 . . . . 0.0 111.228 -178.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 4' ' ' GLN . . . . . 0.409 ' CD ' ' HB2' ' D' ' 28' ' ' PRO . 24.3 tt0 -43.17 -40.25 3.23 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 124.552 1.141 . . . . 0.0 112.301 179.34 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 5' ' ' HIS . . . . . 0.503 ' HB2' ' OE2' ' B' ' 21' ' ' GLU . 10.5 t60 -49.05 -47.68 44.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 112.028 -179.394 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 6' ' ' LEU . . . . . 0.47 ' O ' ' HB3' ' D' ' 9' ' ' SER . 47.3 mt -86.53 -24.62 25.44 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.504 -178.761 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 7' ' ' CYS . . . . . . . . . . . . . 41.6 t -68.32 -45.94 71.56 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 177.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 8' ' ' GLY . . . . . 0.49 ' HA2' ' HG ' ' D' ' 11' ' ' LEU . . . -67.86 -20.72 72.73 Favored Glycine 0 N--CA 1.448 -0.523 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.65 179.237 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 9' ' ' SER . . . . . 0.47 ' HB3' ' O ' ' D' ' 6' ' ' LEU . 2.1 t -60.5 -19.23 56.26 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.368 0.604 . . . . 0.0 109.82 178.351 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 10' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -110.0 -20.52 12.7 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.831 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 11' ' ' LEU . . . . . 0.761 HD11 ' HB2' ' C' ' 7' ' ' CYS . 71.7 mt -66.54 -30.63 70.99 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 178.638 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 12' ' ' VAL . . . . . 0.47 ' O ' ' HB2' ' D' ' 16' ' ' TYR . 20.8 m -67.48 -33.11 60.28 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.104 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.223 178.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -57.54 -54.21 49.4 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-O 121.36 0.6 . . . . 0.0 110.079 179.536 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 14' ' ' ALA . . . . . 0.519 ' HB1' HD13 ' C' ' 16' ' ' LEU . . . -55.46 -56.94 14.38 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.998 -1.001 . . . . 0.0 111.752 -179.644 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 89.7 mt -54.79 -46.62 74.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.722 -179.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 16' ' ' TYR . . . . . 0.573 ' HE2' ' HE2' ' B' ' 26' ' ' TYR . 0.2 OUTLIER -61.69 -53.53 54.83 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.9 -178.833 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . 0.425 HD13 ' NE2' ' B' ' 5' ' ' HIS . 4.3 mm? -61.46 -46.9 88.08 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -178.732 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 97.0 t -65.67 -38.82 83.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -179.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -77.33 -24.75 50.74 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 122.146 -0.346 . . . . 0.0 111.565 -179.177 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.08 -132.33 11.01 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.223 179.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 21' ' ' GLU . . . . . 0.462 ' OE2' ' HB2' ' B' ' 5' ' ' HIS . 28.0 mm-40 -88.3 50.16 1.92 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.601 0.715 . . . . 0.0 109.75 179.33 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 22' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -125.21 -176.0 3.46 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.278 -0.874 . . . . 0.0 109.44 179.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 23' ' ' GLY . . . . . 0.808 ' HA2' ' HD2' ' B' ' 28' ' ' PRO . . . -113.9 176.11 16.88 Favored Glycine 0 N--CA 1.443 -0.891 0 C-N-CA 120.383 -0.913 . . . . 0.0 112.609 179.637 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 24' ' ' PHE . . . . . 0.714 ' HA ' ' HB2' ' C' ' 21' ' ' ASN . 5.6 p90 -152.22 140.95 20.92 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-O 121.361 0.601 . . . . 0.0 111.077 179.187 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 25' ' ' PHE . . . . . 0.487 ' HA ' ' HA ' ' B' ' 25' ' ' PHE . 11.9 p90 -98.92 100.52 11.71 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 106.927 -1.509 . . . . 0.0 106.927 177.635 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 26' ' ' TYR . . . . . 0.566 ' HE2' ' HE2' ' B' ' 16' ' ' TYR . 11.8 t80 -106.41 103.43 12.89 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.528 -177.402 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 27' ' ' THR . . . . . 0.703 ' HA ' ' HA3' ' B' ' 23' ' ' GLY . 0.4 OUTLIER -114.73 81.88 7.62 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.65 -178.727 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' D' D ' 28' ' ' PRO . . . . . 0.809 ' HD2' ' HA2' ' B' ' 23' ' ' GLY . 55.5 Cg_endo -70.58 82.92 0.88 Allowed 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 122.332 2.021 . . . . 0.0 110.592 178.663 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 56.9 tttp -134.47 149.29 50.71 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.519 -178.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 21.2 m . . . . . 0 C--O 1.252 1.221 0 CA-C-O 117.891 -1.052 . . . . 0.0 108.734 178.829 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.852 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' E' E ' 2' ' ' ILE . . . . . . . . . . . . . 13.8 tt -64.45 -37.79 80.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.81 0.305 . . . . 0.0 111.281 -179.053 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 3' ' ' VAL . . . . . 0.587 ' O ' ' HB3' ' E' ' 7' ' ' CYS . 90.1 t -73.31 -44.26 55.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.674 0.75 . . . . 0.0 109.21 178.407 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' E' E ' 4' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -59.86 -29.66 68.45 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 114.806 -1.088 . . . . 0.0 111.635 179.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -101.72 -46.74 4.84 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 114.011 1.115 . . . . 0.0 114.011 -177.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 6' ' ' CYS . . . . . 0.444 ' HB3' ' HB2' ' E' ' 11' ' ' CYS . 45.5 m -107.96 8.92 28.67 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 115.065 1.505 . . . . 0.0 115.065 -175.561 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' E' E ' 7' ' ' CYS . . . . . 0.754 ' HB2' HD11 ' F' ' 11' ' ' LEU . 8.6 t -111.59 -13.21 13.83 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 121.638 -0.664 . . . . 0.0 110.199 178.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 9.2 t -76.22 -12.73 60.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.697 178.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 9' ' ' SER . . . . . . . . . . . . . 19.4 t 177.0 168.15 0.54 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.158 -1.423 . . . . 0.0 107.158 179.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 10' ' ' ILE . . . . . 0.465 HG12 ' HB3' ' J' ' 5' ' ' HIS . 1.6 mp -61.43 121.78 10.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 121.649 0.738 . . . . 0.0 110.548 -179.293 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' E' E ' 11' ' ' CYS . . . . . 0.444 ' HB2' ' HB3' ' E' ' 6' ' ' CYS . 2.9 t -83.13 159.65 22.03 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 114.152 -1.385 . . . . 0.0 110.63 -178.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' E' E ' 12' ' ' SER . . . . . 0.596 ' HB2' ' HB2' ' E' ' 15' ' ' GLN . 6.0 m -70.1 142.27 52.64 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.458 179.601 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 10.3 tt -59.93 -46.39 89.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.954 0.407 . . . . 0.0 110.779 -179.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -69.94 -25.4 63.64 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.526 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 15' ' ' GLN . . . . . 0.596 ' HB2' ' HB2' ' E' ' 12' ' ' SER . 5.5 tt0 -72.2 -38.32 69.05 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 178.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' E' E ' 16' ' ' LEU . . . . . 0.528 HD13 ' HB1' ' F' ' 14' ' ' ALA . 77.1 mt -72.84 -25.04 60.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.092 178.693 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' E' E ' 17' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -66.77 -23.86 66.13 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.72 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 18' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -78.83 -4.34 49.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.955 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 19' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -89.49 -97.87 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.443 179.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 20' ' ' CYS . . . . . 0.486 ' HB3' ' H ' ' E' ' 21' ' ' ASN . 44.5 m 56.1 -138.23 1.03 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.048 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' E' E ' 21' ' ' ASN . . . . . 0.748 ' HB2' ' HA ' ' F' ' 24' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.163 -0.922 . . . . 0.0 109.238 179.664 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' F' F ' 1' ' ' PHE . . . . . . . . . . . . . 5.4 p90 . . . . . 0 N--CA 1.481 1.11 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' F' F ' 2' ' ' VAL . . . . . 0.502 HG11 HD12 ' F' ' 6' ' ' LEU . 32.8 m -118.53 -156.47 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.709 179.642 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' F' F ' 3' ' ' ASN . . . . . . . . . . . . . 28.9 t30 -143.52 -177.48 5.41 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 120.821 0.343 . . . . 0.0 111.256 -178.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 4' ' ' GLN . . . . . 0.439 ' CD ' ' HB2' ' F' ' 28' ' ' PRO . 23.8 tt0 -42.74 -40.71 2.91 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 124.488 1.115 . . . . 0.0 112.423 179.296 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' F' F ' 5' ' ' HIS . . . . . 0.482 ' HB3' HG12 ' A' ' 10' ' ' ILE . 11.1 t60 -48.89 -47.62 43.01 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -179.414 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' F' F ' 6' ' ' LEU . . . . . 0.502 HD12 HG11 ' F' ' 2' ' ' VAL . 42.9 mt -86.28 -24.69 25.86 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.484 -178.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' F' F ' 7' ' ' CYS . . . . . . . . . . . . . 42.2 t -68.32 -46.01 71.38 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 177.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 8' ' ' GLY . . . . . 0.506 ' HA2' ' HG ' ' F' ' 11' ' ' LEU . . . -67.98 -20.42 72.69 Favored Glycine 0 N--CA 1.447 -0.571 0 CA-C-N 115.361 -0.836 . . . . 0.0 112.619 179.394 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' F' F ' 9' ' ' SER . . . . . 0.469 ' HB3' ' O ' ' F' ' 6' ' ' LEU . 2.0 t -60.88 -19.0 59.48 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.405 0.621 . . . . 0.0 109.684 178.509 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' F' F ' 10' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -110.09 -20.83 12.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.819 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 11' ' ' LEU . . . . . 0.754 HD11 ' HB2' ' E' ' 7' ' ' CYS . 69.8 mt -66.32 -30.88 71.38 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 178.621 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' F' F ' 12' ' ' VAL . . . . . 0.484 ' O ' ' HB2' ' F' ' 16' ' ' TYR . 21.0 m -67.14 -33.27 62.03 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.081 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.486 178.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' F' F ' 13' ' ' GLU . . . . . . . . . . . . . 74.5 mt-10 -57.47 -54.36 47.72 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 121.305 0.574 . . . . 0.0 110.032 179.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 14' ' ' ALA . . . . . 0.528 ' HB1' HD13 ' E' ' 16' ' ' LEU . . . -55.59 -56.51 19.43 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.892 -1.049 . . . . 0.0 111.678 -179.672 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' F' F ' 15' ' ' LEU . . . . . . . . . . . . . 92.8 mt -54.89 -46.26 74.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.731 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 16' ' ' TYR . . . . . 0.551 ' HE2' ' HE2' ' H' ' 26' ' ' TYR . 0.2 OUTLIER -62.58 -53.78 49.57 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.976 -178.604 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' F' F ' 17' ' ' LEU . . . . . 0.405 HD13 ' NE2' ' H' ' 5' ' ' HIS . 4.3 mm? -61.09 -46.2 91.62 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -178.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 96.4 t -66.24 -40.35 86.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -179.111 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -75.01 -26.98 59.93 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.673 -179.189 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' F' F ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.32 -131.6 10.62 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.234 179.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 21' ' ' GLU . . . . . 0.45 ' OE2' ' HB2' ' H' ' 5' ' ' HIS . 33.3 mm-40 -88.9 48.19 1.6 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.563 0.697 . . . . 0.0 109.748 179.351 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' F' F ' 22' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -123.71 -177.26 3.68 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.606 179.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 23' ' ' GLY . . . . . 0.794 ' HA2' ' HD2' ' H' ' 28' ' ' PRO . . . -113.64 175.17 16.22 Favored Glycine 0 N--CA 1.442 -0.965 0 C-N-CA 120.367 -0.921 . . . . 0.0 112.54 179.74 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' F' F ' 24' ' ' PHE . . . . . 0.748 ' HA ' ' HB2' ' E' ' 21' ' ' ASN . 5.7 p90 -150.9 141.6 22.72 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.478 0.656 . . . . 0.0 111.116 179.491 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' F' F ' 25' ' ' PHE . . . . . 0.503 ' HA ' ' HA ' ' H' ' 25' ' ' PHE . 11.2 p90 -99.05 100.57 11.74 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 106.839 -1.541 . . . . 0.0 106.839 177.7 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' F' F ' 26' ' ' TYR . . . . . 0.566 ' HE2' ' HE2' ' H' ' 16' ' ' TYR . 12.1 t80 -106.77 103.01 12.35 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.649 -177.256 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' F' F ' 27' ' ' THR . . . . . 0.691 ' HA ' ' HA3' ' H' ' 23' ' ' GLY . 0.3 OUTLIER -114.26 82.05 7.02 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.816 -178.92 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' F' F ' 28' ' ' PRO . . . . . 0.807 ' HD2' ' HA2' ' H' ' 23' ' ' GLY . 55.5 Cg_endo -70.24 82.43 0.85 Allowed 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.268 1.979 . . . . 0.0 110.555 178.536 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' F' F ' 29' ' ' LYS . . . . . . . . . . . . . 56.3 tttp -134.48 147.85 50.45 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.564 -178.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 30' ' ' THR . . . . . . . . . . . . . 18.9 m . . . . . 0 C--O 1.252 1.184 0 CA-C-O 117.64 -1.172 . . . . 0.0 108.5 178.622 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' G' G ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.411 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' G' G ' 2' ' ' ILE . . . . . . . . . . . . . 14.2 tt -64.65 -38.8 83.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.881 0.341 . . . . 0.0 110.958 -179.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' G' G ' 3' ' ' VAL . . . . . 0.572 ' O ' ' HB3' ' G' ' 7' ' ' CYS . 90.5 t -72.32 -43.87 64.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.923 0.868 . . . . 0.0 109.523 178.737 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' G' G ' 4' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -60.02 -32.29 70.74 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 114.998 -1.001 . . . . 0.0 111.54 179.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' G' G ' 5' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -98.5 -46.54 5.71 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 -177.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' G' G ' 6' ' ' CYS . . . . . 0.456 ' HB3' ' HB2' ' G' ' 11' ' ' CYS . 44.4 m -108.03 8.16 28.15 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 115.129 1.529 . . . . 0.0 115.129 -175.65 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' G' G ' 7' ' ' CYS . . . . . 0.762 ' HB2' HD11 ' H' ' 11' ' ' LEU . 7.6 t -111.1 -12.74 14.13 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 118.67 0.668 . . . . 0.0 110.184 178.694 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' G' G ' 8' ' ' THR . . . . . . . . . . . . . 9.7 t -75.9 -13.83 60.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.352 0.596 . . . . 0.0 109.607 178.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' G' G ' 9' ' ' SER . . . . . . . . . . . . . 14.3 t 178.01 168.77 0.74 Allowed 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 106.977 -1.49 . . . . 0.0 106.977 179.367 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' G' G ' 10' ' ' ILE . . . . . 0.453 HG12 ' HB3' ' D' ' 5' ' ' HIS . 1.6 mp -61.46 122.77 12.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-O 121.736 0.779 . . . . 0.0 110.5 -179.449 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' G' G ' 11' ' ' CYS . . . . . 0.456 ' HB2' ' HB3' ' G' ' 6' ' ' CYS . 2.5 t -83.75 160.97 21.15 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 114.142 -1.39 . . . . 0.0 110.41 -178.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' G' G ' 12' ' ' SER . . . . . 0.59 ' HB2' ' HB2' ' G' ' 15' ' ' GLN . 6.6 m -72.06 140.65 49.08 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.494 179.691 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' G' G ' 13' ' ' LEU . . . . . . . . . . . . . 10.2 tt -57.75 -47.53 82.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.854 -179.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -69.86 -23.99 63.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.524 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' G' G ' 15' ' ' GLN . . . . . 0.59 ' HB2' ' HB2' ' G' ' 12' ' ' SER . 5.4 tt0 -73.45 -37.69 65.73 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.995 -0.742 . . . . 0.0 108.995 179.004 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' G' G ' 16' ' ' LEU . . . . . 0.488 HD13 ' HB1' ' H' ' 14' ' ' ALA . 71.2 mt -73.37 -24.65 60.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.012 178.533 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' G' G ' 17' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -67.08 -22.91 65.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.573 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' G' G ' 18' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -81.03 -1.12 42.72 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 121.082 0.468 . . . . 0.0 110.825 179.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' G' G ' 19' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -92.17 -97.77 0.13 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.122 179.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' G' G ' 20' ' ' CYS . . . . . 0.453 ' HB3' ' H ' ' G' ' 21' ' ' ASN . 51.7 m 55.81 -138.49 1.03 Allowed 'General case' 0 C--O 1.233 0.188 0 O-C-N 123.203 0.315 . . . . 0.0 111.074 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' G' G ' 21' ' ' ASN . . . . . 0.737 ' HB2' ' HA ' ' H' ' 24' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--O 1.247 0.951 0 CA-C-O 117.964 -1.017 . . . . 0.0 109.012 179.449 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' H' H ' 1' ' ' PHE . . . . . . . . . . . . . 5.3 p90 . . . . . 0 N--CA 1.483 1.212 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' H' H ' 2' ' ' VAL . . . . . 0.496 HG11 HD12 ' H' ' 6' ' ' LEU . 32.7 m -118.5 -157.69 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 C-N-CA 121.257 -0.177 . . . . 0.0 110.604 179.62 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' H' H ' 3' ' ' ASN . . . . . . . . . . . . . 32.7 t30 -142.67 -176.75 4.99 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 120.843 0.354 . . . . 0.0 111.323 -178.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' H' H ' 4' ' ' GLN . . . . . 0.423 ' CD ' ' HB2' ' H' ' 28' ' ' PRO . 24.2 tt0 -42.34 -41.1 2.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 114.632 -1.167 . . . . 0.0 112.53 179.366 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' H' H ' 5' ' ' HIS . . . . . 0.49 ' HB3' HG12 ' K' ' 10' ' ' ILE . 10.1 t60 -48.72 -47.94 40.83 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 112.019 0.377 . . . . 0.0 112.019 -179.395 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' H' H ' 6' ' ' LEU . . . . . 0.496 HD12 HG11 ' H' ' 2' ' ' VAL . 39.2 mt -85.86 -24.72 26.58 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.596 -178.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' H' H ' 7' ' ' CYS . . . . . . . . . . . . . 43.0 t -68.54 -45.87 71.04 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 177.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' H' H ' 8' ' ' GLY . . . . . 0.511 ' HA2' ' HG ' ' H' ' 11' ' ' LEU . . . -67.77 -21.22 72.94 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.443 -0.799 . . . . 0.0 112.626 179.423 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' H' H ' 9' ' ' SER . . . . . 0.457 ' HB3' ' O ' ' H' ' 6' ' ' LEU . 2.1 t -60.18 -19.43 54.0 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.401 0.62 . . . . 0.0 109.829 178.47 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' H' H ' 10' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -109.73 -20.81 12.68 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.843 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' H' H ' 11' ' ' LEU . . . . . 0.762 HD11 ' HB2' ' G' ' 7' ' ' CYS . 69.3 mt -66.47 -30.75 71.16 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 178.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' H' H ' 12' ' ' VAL . . . . . 0.491 ' O ' ' HB2' ' H' ' 16' ' ' TYR . 20.8 m -67.24 -33.53 63.43 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.114 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.261 178.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' H' H ' 13' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -57.18 -54.73 43.52 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-O 121.358 0.599 . . . . 0.0 109.93 179.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' H' H ' 14' ' ' ALA . . . . . 0.488 ' HB1' HD13 ' G' ' 16' ' ' LEU . . . -55.3 -56.8 15.88 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.831 -1.077 . . . . 0.0 111.811 -179.66 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' H' H ' 15' ' ' LEU . . . . . . . . . . . . . 95.6 mt -54.35 -47.24 72.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.066 0.46 . . . . 0.0 111.737 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' H' H ' 16' ' ' TYR . . . . . 0.566 ' HE2' ' HE2' ' F' ' 26' ' ' TYR . 0.2 OUTLIER -61.39 -53.81 51.81 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.038 -178.816 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' H' H ' 17' ' ' LEU . . . . . 0.443 HD13 ' NE2' ' F' ' 5' ' ' HIS . 4.3 mm? -61.25 -45.91 92.57 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -178.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 95.0 t -66.78 -38.31 81.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 112.257 0.465 . . . . 0.0 112.257 -179.135 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' H' H ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -77.6 -25.79 50.17 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.93 -0.308 . . . . 0.0 111.453 -178.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' H' H ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.33 -132.69 11.26 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.285 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' H' H ' 21' ' ' GLU . . . . . 0.466 ' OE2' ' HB2' ' F' ' 5' ' ' HIS . 30.1 mm-40 -87.54 46.41 1.38 Allowed 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.546 0.689 . . . . 0.0 110.148 179.543 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' H' H ' 22' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -121.63 -175.93 3.2 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.916 179.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' H' H ' 23' ' ' GLY . . . . . 0.807 ' HA2' ' HD2' ' F' ' 28' ' ' PRO . . . -114.31 175.79 16.49 Favored Glycine 0 N--CA 1.443 -0.835 0 C-N-CA 120.436 -0.888 . . . . 0.0 112.633 179.67 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' H' H ' 24' ' ' PHE . . . . . 0.737 ' HA ' ' HB2' ' G' ' 21' ' ' ASN . 5.6 p90 -151.87 140.77 21.04 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-O 121.255 0.55 . . . . 0.0 111.246 179.304 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' H' H ' 25' ' ' PHE . . . . . 0.503 ' HA ' ' HA ' ' F' ' 25' ' ' PHE . 11.2 p90 -98.42 101.03 12.36 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 106.891 -1.522 . . . . 0.0 106.891 177.542 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' H' H ' 26' ' ' TYR . . . . . 0.551 ' HE2' ' HE2' ' F' ' 16' ' ' TYR . 11.7 t80 -106.84 103.29 12.69 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.446 -177.292 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' H' H ' 27' ' ' THR . . . . . 0.71 ' HA ' ' HA3' ' F' ' 23' ' ' GLY . 0.6 OUTLIER -114.72 82.47 8.13 Favored Pre-proline 0 C--N 1.319 -0.718 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.569 -178.851 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' H' H ' 28' ' ' PRO . . . . . 0.794 ' HD2' ' HA2' ' F' ' 23' ' ' GLY . 51.2 Cg_endo -70.41 83.07 0.83 Allowed 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.314 2.009 . . . . 0.0 110.502 178.527 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' H' H ' 29' ' ' LYS . . . . . . . . . . . . . 56.7 tttp -134.98 148.28 49.95 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.738 -178.31 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' H' H ' 30' ' ' THR . . . . . . . . . . . . . 20.0 m . . . . . 0 C--O 1.253 1.284 0 CA-C-O 117.935 -1.031 . . . . 0.0 108.839 178.96 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' I' I ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.684 0 N-CA-C 111.577 -0.609 . . . . 0.0 111.577 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' I' I ' 2' ' ' ILE . . . . . . . . . . . . . 14.1 tt -64.77 -37.52 80.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.61 0.243 . . . . 0.0 111.329 -178.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' I' I ' 3' ' ' VAL . . . . . 0.575 ' O ' ' HB3' ' I' ' 7' ' ' CYS . 93.4 t -74.14 -42.81 51.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.931 0.872 . . . . 0.0 109.192 178.792 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' I' I ' 4' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -61.21 -30.59 70.52 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 114.632 -1.167 . . . . 0.0 111.43 179.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' I' I ' 5' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -100.23 -46.42 5.29 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 114.404 1.261 . . . . 0.0 114.404 -177.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' I' I ' 6' ' ' CYS . . . . . 0.503 ' HB3' ' HB2' ' I' ' 11' ' ' CYS . 48.8 m -108.11 7.71 27.76 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 114.87 1.433 . . . . 0.0 114.87 -175.568 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' I' I ' 7' ' ' CYS . . . . . 0.759 ' HB2' HD11 ' J' ' 11' ' ' LEU . 8.5 t -110.61 -13.1 14.27 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 118.695 0.679 . . . . 0.0 110.151 178.609 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' I' I ' 8' ' ' THR . . . . . . . . . . . . . 10.0 t -75.59 -13.59 60.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.32 0.581 . . . . 0.0 109.792 178.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' I' I ' 9' ' ' SER . . . . . . . . . . . . . 22.8 t 178.21 168.96 0.78 Allowed 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 106.953 -1.499 . . . . 0.0 106.953 179.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' I' I ' 10' ' ' ILE . . . . . 0.479 HG12 ' HB3' ' B' ' 5' ' ' HIS . 1.6 mp -61.96 122.94 13.77 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.715 0 CA-C-O 121.664 0.745 . . . . 0.0 110.451 -179.453 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' I' I ' 11' ' ' CYS . . . . . 0.503 ' HB2' ' HB3' ' I' ' 6' ' ' CYS . 2.9 t -84.08 159.97 21.03 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 114.269 -1.332 . . . . 0.0 110.576 -178.588 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' I' I ' 12' ' ' SER . . . . . 0.594 ' HB2' ' HB2' ' I' ' 15' ' ' GLN . 3.6 m -69.6 142.32 53.55 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.228 179.517 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' I' I ' 13' ' ' LEU . . . . . . . . . . . . . 10.3 tt -59.77 -47.54 85.27 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.87 0.367 . . . . 0.0 110.537 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -68.93 -25.78 64.74 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.558 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' I' I ' 15' ' ' GLN . . . . . 0.594 ' HB2' ' HB2' ' I' ' 12' ' ' SER . 5.6 tt0 -72.48 -37.41 68.46 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 179.105 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' I' I ' 16' ' ' LEU . . . . . 0.501 HD13 ' HB1' ' J' ' 14' ' ' ALA . 65.5 mt -73.48 -24.51 60.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.06 178.558 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' I' I ' 17' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -67.58 -22.55 65.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.545 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' I' I ' 18' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -81.44 -0.43 41.56 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 121.072 0.463 . . . . 0.0 110.667 179.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' I' I ' 19' ' ' TYR . . . . . . . . . . . . . 8.8 m-30 -93.0 -96.95 0.14 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.188 179.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' I' I ' 20' ' ' CYS . . . . . 0.468 ' HB3' ' H ' ' I' ' 21' ' ' ASN . 51.0 m 55.09 -137.89 1.13 Allowed 'General case' 0 N--CA 1.466 0.355 0 O-C-N 123.236 0.335 . . . . 0.0 111.087 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' I' I ' 21' ' ' ASN . . . . . 0.738 ' HB2' ' HA ' ' J' ' 24' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.044 0 CA-C-O 117.987 -1.006 . . . . 0.0 108.962 179.473 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' J' J ' 1' ' ' PHE . . . . . . . . . . . . . 5.7 p90 . . . . . 0 N--CA 1.48 1.036 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' J' J ' 2' ' ' VAL . . . . . 0.478 HG11 HD12 ' J' ' 6' ' ' LEU . 31.7 m -117.38 -155.23 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.059 179.755 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' J' J ' 3' ' ' ASN . . . . . . . . . . . . . 24.4 t30 -144.34 -177.5 5.5 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.854 0.359 . . . . 0.0 111.069 -178.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' J' J ' 4' ' ' GLN . . . . . 0.404 ' CD ' ' HB2' ' J' ' 28' ' ' PRO . 24.2 tt0 -43.04 -40.99 3.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 114.809 -1.087 . . . . 0.0 112.354 179.293 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' J' J ' 5' ' ' HIS . . . . . 0.465 ' HB3' HG12 ' E' ' 10' ' ' ILE . 10.1 t60 -48.32 -48.18 36.32 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -179.476 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' J' J ' 6' ' ' LEU . . . . . 0.478 HD12 HG11 ' J' ' 2' ' ' VAL . 46.6 mt -85.94 -24.28 26.61 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.653 -178.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' J' J ' 7' ' ' CYS . . . . . . . . . . . . . 41.5 t -68.77 -46.06 69.74 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 177.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' J' J ' 8' ' ' GLY . . . . . 0.486 ' HA2' ' HG ' ' J' ' 11' ' ' LEU . . . -67.46 -20.79 72.0 Favored Glycine 0 N--CA 1.449 -0.441 0 CA-C-N 115.332 -0.849 . . . . 0.0 112.593 179.235 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' J' J ' 9' ' ' SER . . . . . 0.469 ' HB3' ' O ' ' J' ' 6' ' ' LEU . 2.0 t -60.51 -19.76 57.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.468 0.652 . . . . 0.0 109.878 178.581 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' J' J ' 10' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -109.52 -20.61 12.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.814 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' J' J ' 11' ' ' LEU . . . . . 0.759 HD11 ' HB2' ' I' ' 7' ' ' CYS . 72.3 mt -66.65 -30.6 70.9 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 178.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' J' J ' 12' ' ' VAL . . . . . 0.472 ' O ' ' HB2' ' J' ' 16' ' ' TYR . 22.0 m -67.23 -33.37 62.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.475 178.729 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' J' J ' 13' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -57.35 -54.28 48.64 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.401 0.619 . . . . 0.0 110.092 179.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' J' J ' 14' ' ' ALA . . . . . 0.501 ' HB1' HD13 ' I' ' 16' ' ' LEU . . . -55.77 -56.64 18.06 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.994 -1.003 . . . . 0.0 111.762 -179.615 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' J' J ' 15' ' ' LEU . . . . . . . . . . . . . 93.2 mt -54.64 -46.37 73.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.683 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' J' J ' 16' ' ' TYR . . . . . 0.568 ' HE2' ' HE2' ' L' ' 26' ' ' TYR . 0.2 OUTLIER -62.2 -53.96 47.8 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.003 -178.754 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' J' J ' 17' ' ' LEU . . . . . 0.423 HD13 ' NE2' ' L' ' 5' ' ' HIS . 4.4 mm? -61.26 -45.7 93.42 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -178.764 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 99.1 t -66.85 -38.79 82.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 -179.239 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' J' J ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -77.12 -26.3 53.07 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.434 -178.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' J' J ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.83 -132.4 11.09 Favored Glycine 0 C--N 1.329 0.147 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.267 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' J' J ' 21' ' ' GLU . . . . . 0.474 ' OE2' ' HB2' ' L' ' 5' ' ' HIS . 27.1 mm-40 -87.82 46.84 1.42 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.415 0.626 . . . . 0.0 109.92 179.517 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' J' J ' 22' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -122.23 -176.17 3.29 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.93 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' J' J ' 23' ' ' GLY . . . . . 0.828 ' HA2' ' HD2' ' L' ' 28' ' ' PRO . . . -114.27 175.1 15.97 Favored Glycine 0 N--CA 1.443 -0.878 0 C-N-CA 120.363 -0.922 . . . . 0.0 112.445 179.727 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' J' J ' 24' ' ' PHE . . . . . 0.738 ' HA ' ' HB2' ' I' ' 21' ' ' ASN . 5.7 p90 -151.2 141.39 22.25 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.488 0.661 . . . . 0.0 111.207 179.328 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' J' J ' 25' ' ' PHE . . . . . 0.48 ' HA ' ' HA ' ' L' ' 25' ' ' PHE . 12.2 p90 -99.25 100.63 11.75 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 106.839 -1.541 . . . . 0.0 106.839 177.665 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' J' J ' 26' ' ' TYR . . . . . 0.559 ' HE2' ' HE2' ' L' ' 16' ' ' TYR . 11.8 t80 -106.55 102.73 12.09 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.57 -177.341 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' J' J ' 27' ' ' THR . . . . . 0.699 ' HA ' ' HA3' ' L' ' 23' ' ' GLY . 0.4 OUTLIER -113.98 82.1 6.62 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.775 -179.17 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' J' J ' 28' ' ' PRO . . . . . 0.822 ' HD2' ' HA2' ' L' ' 23' ' ' GLY . 54.7 Cg_endo -70.41 81.82 0.94 Allowed 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.433 2.089 . . . . 0.0 110.651 178.69 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' J' J ' 29' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -133.66 148.98 51.55 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.546 -178.371 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' J' J ' 30' ' ' THR . . . . . . . . . . . . . 14.8 m . . . . . 0 C--O 1.25 1.116 0 CA-C-O 117.969 -1.015 . . . . 0.0 109.46 179.182 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.821 0 N-CA-C 111.638 -0.585 . . . . 0.0 111.638 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' K' K ' 2' ' ' ILE . . . . . . . . . . . . . 13.1 tt -67.18 -37.55 79.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 120.633 0.254 . . . . 0.0 110.816 -179.087 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' K' K ' 3' ' ' VAL . . . . . 0.595 ' O ' ' HB3' ' K' ' 7' ' ' CYS . 86.4 t -73.21 -43.88 56.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.897 0.856 . . . . 0.0 109.229 178.682 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' K' K ' 4' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -59.78 -31.3 69.55 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 114.663 -1.153 . . . . 0.0 111.552 179.348 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' K' K ' 5' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -100.09 -46.07 5.44 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 114.444 1.275 . . . . 0.0 114.444 -177.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' K' K ' 6' ' ' CYS . . . . . 0.524 ' HB3' ' HB2' ' K' ' 11' ' ' CYS . 45.0 m -108.52 8.03 27.07 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 115.02 1.489 . . . . 0.0 115.02 -175.651 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' K' K ' 7' ' ' CYS . . . . . 0.766 ' HB2' HD11 ' L' ' 11' ' ' LEU . 8.2 t -111.0 -12.96 14.17 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 118.643 0.656 . . . . 0.0 110.216 178.592 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' K' K ' 8' ' ' THR . . . . . . . . . . . . . 10.3 t -75.85 -13.61 60.28 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.386 0.613 . . . . 0.0 109.618 178.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' K' K ' 9' ' ' SER . . . . . . . . . . . . . 20.8 t 178.77 169.9 0.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.062 -1.458 . . . . 0.0 107.062 179.176 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' K' K ' 10' ' ' ILE . . . . . 0.49 HG12 ' HB3' ' H' ' 5' ' ' HIS . 1.6 mp -63.05 121.47 12.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 121.856 0.836 . . . . 0.0 110.532 -179.34 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' K' K ' 11' ' ' CYS . . . . . 0.524 ' HB2' ' HB3' ' K' ' 6' ' ' CYS . 2.9 t -82.1 160.31 23.19 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.488 -1.233 . . . . 0.0 110.654 -178.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' K' K ' 12' ' ' SER . . . . . 0.578 ' HB2' ' HB2' ' K' ' 15' ' ' GLN . 6.1 m -71.29 141.37 50.52 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.27 179.653 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' K' K ' 13' ' ' LEU . . . . . . . . . . . . . 10.3 tt -58.71 -47.03 85.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.766 -179.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -69.59 -24.42 63.68 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.584 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' K' K ' 15' ' ' GLN . . . . . 0.578 ' HB2' ' HB2' ' K' ' 12' ' ' SER . 5.5 tt0 -73.53 -37.32 65.65 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 179.1 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' K' K ' 16' ' ' LEU . . . . . 0.503 HD13 ' HB1' ' L' ' 14' ' ' ALA . 71.4 mt -73.44 -25.41 60.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.071 178.669 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' K' K ' 17' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -67.11 -22.51 65.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.632 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' K' K ' 18' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -80.26 -3.53 49.6 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.727 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' K' K ' 19' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -90.2 -96.81 0.11 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.472 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' K' K ' 20' ' ' CYS . . . . . 0.504 ' HB3' ' H ' ' K' ' 21' ' ' ASN . 53.4 m 54.84 -137.87 1.14 Allowed 'General case' 0 N--CA 1.463 0.215 0 O-C-N 123.207 0.317 . . . . 0.0 110.853 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' K' K ' 21' ' ' ASN . . . . . 0.722 ' HB2' ' HA ' ' L' ' 24' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--O 1.247 0.93 0 CA-C-O 118.511 -0.757 . . . . 0.0 109.335 179.323 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' L' L ' 1' ' ' PHE . . . . . . . . . . . . . 5.9 p90 . . . . . 0 N--CA 1.48 1.041 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' L' L ' 2' ' ' VAL . . . . . 0.508 HG11 HD12 ' L' ' 6' ' ' LEU . 32.9 m -117.25 -153.84 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.97 -179.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' L' L ' 3' ' ' ASN . . . . . . . . . . . . . 29.6 t30 -145.64 -177.49 5.6 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.872 0.368 . . . . 0.0 111.068 -179.092 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' L' L ' 4' ' ' GLN . . . . . 0.418 ' CD ' ' HB2' ' L' ' 28' ' ' PRO . 22.1 tt0 -42.99 -40.6 3.07 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 114.661 -1.154 . . . . 0.0 112.318 179.304 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' L' L ' 5' ' ' HIS . . . . . 0.478 ' HB3' HG12 ' C' ' 10' ' ' ILE . 10.3 t60 -48.8 -47.87 41.85 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.041 0.386 . . . . 0.0 112.041 -179.497 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' L' L ' 6' ' ' LEU . . . . . 0.508 HD12 HG11 ' L' ' 2' ' ' VAL . 43.8 mt -86.19 -24.31 26.17 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.562 -178.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' L' L ' 7' ' ' CYS . . . . . . . . . . . . . 41.9 t -68.64 -46.21 69.8 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 177.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' L' L ' 8' ' ' GLY . . . . . 0.501 ' HA2' ' HG ' ' L' ' 11' ' ' LEU . . . -67.51 -20.81 72.12 Favored Glycine 0 N--CA 1.448 -0.536 0 CA-C-N 115.379 -0.828 . . . . 0.0 112.596 179.268 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' L' L ' 9' ' ' SER . . . . . 0.454 ' HB3' ' O ' ' L' ' 6' ' ' LEU . 2.1 t -60.59 -19.27 57.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.326 0.584 . . . . 0.0 109.782 178.487 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' L' L ' 10' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -110.04 -20.42 12.72 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.76 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' L' L ' 11' ' ' LEU . . . . . 0.766 HD11 ' HB2' ' K' ' 7' ' ' CYS . 73.1 mt -66.29 -30.93 71.45 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 178.657 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' L' L ' 12' ' ' VAL . . . . . 0.473 ' O ' ' HB2' ' L' ' 16' ' ' TYR . 21.9 m -67.22 -33.37 62.47 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.143 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.324 178.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' L' L ' 13' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -57.37 -54.41 47.12 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-O 121.346 0.594 . . . . 0.0 109.957 179.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' L' L ' 14' ' ' ALA . . . . . 0.503 ' HB1' HD13 ' K' ' 16' ' ' LEU . . . -55.7 -56.04 25.12 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.861 -179.549 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' L' L ' 15' ' ' LEU . . . . . . . . . . . . . 94.0 mt -55.21 -46.34 75.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.701 -179.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' L' L ' 16' ' ' TYR . . . . . 0.559 ' HE2' ' HE2' ' J' ' 26' ' ' TYR . 0.2 OUTLIER -62.23 -53.5 54.34 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.627 -0.715 . . . . 0.0 112.034 -178.791 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.65 -45.79 92.52 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -178.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 90.4 t -66.6 -38.34 81.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 -179.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' L' L ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -78.17 -24.18 47.33 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.787 -0.365 . . . . 0.0 111.465 -178.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' L' L ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.5 -132.66 11.25 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.327 179.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' L' L ' 21' ' ' GLU . . . . . 0.46 ' OE2' ' HB2' ' J' ' 5' ' ' HIS . 27.8 mm-40 -87.72 48.67 1.68 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.489 0.662 . . . . 0.0 109.864 179.594 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' L' L ' 22' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -124.6 -178.18 4.05 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.593 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' L' L ' 23' ' ' GLY . . . . . 0.822 ' HA2' ' HD2' ' J' ' 28' ' ' PRO . . . -112.11 175.11 16.9 Favored Glycine 0 N--CA 1.441 -0.994 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.853 179.591 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' L' L ' 24' ' ' PHE . . . . . 0.722 ' HA ' ' HB2' ' K' ' 21' ' ' ASN . 5.7 p90 -151.34 141.52 22.26 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 121.406 0.622 . . . . 0.0 111.025 179.409 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' L' L ' 25' ' ' PHE . . . . . 0.48 ' HA ' ' HA ' ' J' ' 25' ' ' PHE . 10.7 p90 -99.33 100.75 11.86 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 106.891 -1.522 . . . . 0.0 106.891 177.637 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' L' L ' 26' ' ' TYR . . . . . 0.568 ' HE2' ' HE2' ' J' ' 16' ' ' TYR . 12.1 t80 -106.56 103.04 12.4 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.833 -177.324 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' L' L ' 27' ' ' THR . . . . . 0.668 ' HA ' ' HA3' ' J' ' 23' ' ' GLY . 0.2 OUTLIER -114.2 82.12 6.98 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.632 -178.662 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' L' L ' 28' ' ' PRO . . . . . 0.828 ' HD2' ' HA2' ' J' ' 23' ' ' GLY . 51.7 Cg_endo -70.57 80.62 1.09 Allowed 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.366 2.044 . . . . 0.0 110.773 178.678 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' L' L ' 29' ' ' LYS . . . . . . . . . . . . . 58.6 tttp . . . . . 0 C--N 1.32 -0.684 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.84 -178.431 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.599 0 N-CA-C 111.781 -0.528 . . . . 0.0 111.781 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.0 tt -65.15 -33.04 60.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 111.788 0.292 . . . . 0.0 111.788 -178.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.724 HG11 ' HG3' ' B' ' 4' ' ' GLN . 53.8 t -68.05 -56.68 11.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.619 -179.749 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -67.65 -15.82 63.84 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -179.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -88.05 -35.37 17.57 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.592 -0.443 . . . . 0.0 111.41 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 70.9 m -103.14 -26.85 12.86 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 -178.029 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.421 ' O ' HG11 ' F' ' 2' ' ' VAL . 8.9 t -97.45 40.9 1.14 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.287 0.565 . . . . 0.0 111.337 -179.377 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.09 -48.44 2.11 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 178.251 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.9 m -149.14 17.71 0.96 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.769 178.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.1 mp 70.39 132.87 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.979 179.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 44.7 m -82.02 153.84 25.97 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.206 -0.907 . . . . 0.0 111.542 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.9 t -78.68 162.47 26.18 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.643 178.446 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 39.4 tp -54.82 -40.38 69.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.088 0.471 . . . . 0.0 110.895 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 59.6 m-85 -74.46 -15.67 60.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.838 -0.619 . . . . 0.0 112.412 -179.087 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.449 ' HA ' ' ND2' ' A' ' 18' ' ' ASN . 82.1 mt-30 -85.61 -40.64 16.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.856 0.36 . . . . 0.0 110.755 179.21 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 60.2 mt -67.05 -33.6 75.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.447 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 61.0 tt0 -67.14 -15.18 63.56 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.222 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.449 ' ND2' ' HA ' ' A' ' 15' ' ' GLN . 83.8 m-20 -70.76 -19.26 62.74 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.018 0.437 . . . . 0.0 110.641 179.2 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -101.5 -1.18 33.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.129 0.49 . . . . 0.0 110.308 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 11.1 t -83.6 156.75 22.57 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.805 -179.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.2 m120 . . . . . 0 C--O 1.246 0.906 0 CA-C-O 118.689 -0.672 . . . . 0.0 110.135 179.735 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 3.3 p90 . . . . . 0 N--CA 1.481 1.102 0 CA-C-O 121.742 0.782 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . 0.443 HG11 ' O ' ' I' ' 7' ' ' CYS . 6.0 p -123.0 90.87 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-O 121.928 0.87 . . . . 0.0 110.687 -179.571 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -169.43 -57.74 0.02 OUTLIER 'General case' 0 C--O 1.216 -0.666 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.282 -179.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . 0.724 ' HG3' HG11 ' A' ' 3' ' ' VAL . 42.8 tt0 -51.64 -37.97 52.65 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.993 0.425 . . . . 0.0 111.921 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . 0.587 ' CE1' ' HA ' ' D' ' 17' ' ' LEU . 27.2 t60 -83.03 -5.96 59.3 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 -177.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 13.7 mt -118.52 -40.46 2.91 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.572 0.701 . . . . 0.0 110.382 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . 0.508 ' SG ' HD21 ' B' ' 11' ' ' LEU . 18.3 t -69.22 -40.29 78.06 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.888 -1.051 . . . . 0.0 110.63 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . 0.534 ' O ' HG22 ' B' ' 12' ' ' VAL . . . -52.36 -34.76 41.99 Favored Glycine 0 C--N 1.338 0.641 0 CA-C-N 116.032 -0.531 . . . . 0.0 112.997 179.655 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . 0.686 ' HB2' ' HG3' ' D' ' 13' ' ' GLU . 0.0 OUTLIER -58.29 -29.27 65.72 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 122.978 0.511 . . . . 0.0 111.894 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -94.57 -21.88 18.56 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 120.951 -0.3 . . . . 0.0 111.004 -179.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.508 HD21 ' SG ' ' B' ' 7' ' ' CYS . 9.0 mt -70.75 -38.83 73.53 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 177.503 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.534 HG22 ' O ' ' B' ' 8' ' ' GLY . 14.1 m -73.83 -34.43 40.19 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.788 179.356 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.679 ' HG3' ' HB2' ' D' ' 9' ' ' SER . 32.6 tt0 -61.44 -36.78 81.34 Favored 'General case' 0 C--N 1.34 0.166 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 179.187 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . 0.484 ' O ' HG23 ' B' ' 18' ' ' VAL . . . -76.81 -32.86 57.9 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.703 178.194 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.518 HD12 ' HA ' ' B' ' 12' ' ' VAL . 26.9 mt -58.05 -60.8 3.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 112.224 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . 0.922 ' HB3' ' HE2' ' B' ' 24' ' ' PHE . 7.9 p90 -72.26 -9.54 58.61 Favored 'General case' 0 C--N 1.333 -0.121 0 C-N-CA 120.006 -0.678 . . . . 0.0 110.484 -179.473 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.577 ' HA ' ' CE1' ' D' ' 5' ' ' HIS . 9.9 tt -73.51 -39.48 64.78 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.234 -1.025 . . . . 0.0 108.234 178.025 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.484 HG23 ' O ' ' B' ' 14' ' ' ALA . 70.9 t -76.16 -42.97 37.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.699 178.543 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . 0.703 ' HB3' ' HB2' ' B' ' 22' ' ' ARG . 71.1 m -67.06 -41.13 86.97 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.722 -179.514 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.57 -95.28 0.61 Allowed Glycine 0 CA--C 1.507 -0.413 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.071 -179.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -92.0 -10.76 38.09 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.474 0.654 . . . . 0.0 109.491 179.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . 0.703 ' HB2' ' HB3' ' B' ' 19' ' ' CYS . 71.8 mtp180 -85.26 160.01 19.95 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.697 179.197 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . 0.69 ' HA2' ' HD2' ' D' ' 28' ' ' PRO . . . -108.1 -169.99 21.47 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.677 -0.773 . . . . 0.0 111.32 178.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . 0.922 ' HE2' ' HB3' ' B' ' 16' ' ' TYR . 29.1 p90 -161.36 159.5 28.44 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.169 0.509 . . . . 0.0 111.122 179.563 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 15.3 m-30 -104.06 110.6 22.83 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 178.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -110.18 99.74 8.75 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.243 0.544 . . . . 0.0 111.48 -178.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . 0.666 ' HA ' ' HA3' ' D' ' 23' ' ' GLY . 5.1 m -119.18 99.26 50.7 Favored Pre-proline 0 C--N 1.315 -0.912 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 177.777 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . 0.687 ' HD2' ' HA2' ' D' ' 23' ' ' GLY . 30.0 Cg_endo -64.55 -114.82 0.0 OUTLIER 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.899 2.399 . . . . 0.0 112.356 -178.158 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.42 ' H ' ' HB2' ' B' ' 28' ' ' PRO . 76.4 tttt 72.83 -39.68 0.45 Allowed 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 122.996 0.518 . . . . 0.0 110.947 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' THR . . . . . 0.408 ' H ' ' C ' ' B' ' 28' ' ' PRO . 45.2 m . . . . . 0 C--O 1.251 1.136 0 CA-C-O 117.994 -1.003 . . . . 0.0 108.834 178.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.816 0 N-CA-C 111.444 -0.663 . . . . 0.0 111.444 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 13.4 tt -68.13 -32.41 55.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.817 0.341 . . . . 0.0 111.376 -179.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 3' ' ' VAL . . . . . 0.734 HG11 ' HG3' ' D' ' 4' ' ' GLN . 52.9 t -68.21 -57.14 10.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.586 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -68.51 -12.85 61.82 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -179.326 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -90.43 -37.25 14.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 122.048 -0.407 . . . . 0.0 111.07 179.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 70.7 m -100.72 -28.38 12.86 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 113.007 0.743 . . . . 0.0 113.007 -178.039 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 7' ' ' CYS . . . . . 0.426 ' O ' HG11 ' L' ' 2' ' ' VAL . 8.4 t -96.27 41.17 1.11 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.368 0.604 . . . . 0.0 111.44 -179.452 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -122.19 -49.84 2.04 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 177.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 73.1 m -147.98 17.97 1.11 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.642 178.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 2.1 mp 70.45 133.64 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 CA-C-N 115.175 -0.921 . . . . 0.0 111.818 179.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 46.4 m -82.87 153.76 24.96 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.45 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 33.1 t -78.36 163.0 26.05 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.507 178.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 39.6 tp -56.22 -38.01 70.46 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.174 0.511 . . . . 0.0 110.949 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -76.73 -14.93 59.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.028 -179.244 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . 0.416 ' HA ' ' ND2' ' C' ' 18' ' ' ASN . 83.2 mt-30 -86.3 -40.11 15.82 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.077 0.465 . . . . 0.0 110.487 179.334 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 59.5 mt -67.41 -33.92 76.17 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.535 -179.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 64.3 tt0 -67.44 -14.59 63.07 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.147 -179.514 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 18' ' ' ASN . . . . . 0.416 ' ND2' ' HA ' ' C' ' 15' ' ' GLN . 82.3 m-20 -71.5 -18.79 62.26 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.89 0.376 . . . . 0.0 110.473 179.317 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -101.29 -1.85 32.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.107 0.479 . . . . 0.0 110.351 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 10.7 t -82.58 158.5 23.05 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.147 -179.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 5.5 m120 . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.773 -0.632 . . . . 0.0 110.172 179.741 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 3.2 p90 . . . . . 0 N--CA 1.482 1.143 0 CA-C-O 121.767 0.794 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' D' D ' 2' ' ' VAL . . . . . 0.438 HG11 ' O ' ' G' ' 7' ' ' CYS . 5.9 p -122.68 89.98 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.853 0.835 . . . . 0.0 110.78 -179.404 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 3' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -168.38 -57.93 0.02 OUTLIER 'General case' 0 C--O 1.215 -0.715 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.348 -179.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 4' ' ' GLN . . . . . 0.734 ' HG3' HG11 ' C' ' 3' ' ' VAL . 46.4 tt0 -51.21 -38.89 54.95 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.919 0.39 . . . . 0.0 111.941 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 5' ' ' HIS . . . . . 0.577 ' CE1' ' HA ' ' B' ' 17' ' ' LEU . 26.7 t60 -81.9 -6.43 59.1 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 -177.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 13.2 mt -118.39 -40.59 2.91 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 121.671 0.748 . . . . 0.0 110.473 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 7' ' ' CYS . . . . . 0.531 ' SG ' HD21 ' D' ' 11' ' ' LEU . 16.2 t -69.18 -39.95 78.39 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 114.802 -1.09 . . . . 0.0 110.693 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 8' ' ' GLY . . . . . 0.504 ' O ' HG22 ' D' ' 12' ' ' VAL . . . -52.78 -34.44 44.6 Favored Glycine 0 C--N 1.334 0.446 0 CA-C-N 115.974 -0.557 . . . . 0.0 112.897 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 9' ' ' SER . . . . . 0.679 ' HB2' ' HG3' ' B' ' 13' ' ' GLU . 0.0 OUTLIER -58.61 -29.16 66.27 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 122.88 0.472 . . . . 0.0 111.887 -179.89 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' D' D ' 10' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -94.64 -21.81 18.56 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.836 -0.346 . . . . 0.0 111.114 -179.496 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 11' ' ' LEU . . . . . 0.531 HD21 ' SG ' ' D' ' 7' ' ' CYS . 9.1 mt -70.71 -39.05 73.64 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 177.559 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 12' ' ' VAL . . . . . 0.522 ' HA ' HD12 ' D' ' 15' ' ' LEU . 15.2 m -73.72 -34.17 40.2 Favored 'Isoleucine or valine' 0 C--O 1.232 0.158 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.802 179.415 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 13' ' ' GLU . . . . . 0.686 ' HG3' ' HB2' ' B' ' 9' ' ' SER . 33.2 tt0 -61.69 -36.49 81.03 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 179.268 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 14' ' ' ALA . . . . . 0.459 ' O ' HG23 ' D' ' 18' ' ' VAL . . . -76.97 -33.18 57.66 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.582 178.219 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 15' ' ' LEU . . . . . 0.522 HD12 ' HA ' ' D' ' 12' ' ' VAL . 25.8 mt -57.75 -60.91 2.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.091 -179.658 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 16' ' ' TYR . . . . . 0.932 ' HB3' ' HE2' ' D' ' 24' ' ' PHE . 8.0 p90 -72.19 -9.55 58.59 Favored 'General case' 0 C--N 1.334 -0.108 0 C-N-CA 120.057 -0.657 . . . . 0.0 110.607 -179.51 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . 0.587 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 9.5 tt -73.36 -40.25 64.53 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.223 -1.028 . . . . 0.0 108.223 177.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . 0.459 HG23 ' O ' ' D' ' 14' ' ' ALA . 67.2 t -75.55 -42.67 42.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.899 178.592 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 19' ' ' CYS . . . . . 0.721 ' HB3' ' HB2' ' D' ' 22' ' ' ARG . 71.2 m -67.77 -40.3 84.02 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.293 -0.867 . . . . 0.0 111.679 -179.508 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.17 -96.27 0.61 Allowed Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.901 -0.666 . . . . 0.0 111.866 -179.463 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -89.44 -15.49 33.03 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.453 0.644 . . . . 0.0 109.589 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 22' ' ' ARG . . . . . 0.721 ' HB2' ' HB3' ' D' ' 19' ' ' CYS . 69.8 mtp180 -80.75 161.21 24.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.14 179.415 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 23' ' ' GLY . . . . . 0.687 ' HA2' ' HD2' ' B' ' 28' ' ' PRO . . . -109.65 -170.25 20.27 Favored Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 178.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 24' ' ' PHE . . . . . 0.932 ' HE2' ' HB3' ' D' ' 16' ' ' TYR . 29.8 p90 -160.91 159.26 29.45 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.208 0.527 . . . . 0.0 111.081 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 25' ' ' PHE . . . . . . . . . . . . . 15.5 m-30 -104.16 109.02 20.66 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.717 -0.845 . . . . 0.0 108.717 178.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 26' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -108.73 98.76 8.21 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.143 0.497 . . . . 0.0 111.872 -178.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 27' ' ' THR . . . . . 0.666 ' HA ' ' HA3' ' B' ' 23' ' ' GLY . 5.7 m -118.26 99.9 51.7 Favored Pre-proline 0 C--N 1.312 -1.05 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 177.678 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 28' ' ' PRO . . . . . 0.69 ' HD2' ' HA2' ' B' ' 23' ' ' GLY . 30.1 Cg_endo -65.21 -113.78 0.0 OUTLIER 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 123.003 2.468 . . . . 0.0 112.292 -178.028 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 29' ' ' LYS . . . . . 0.445 ' H ' ' HB2' ' D' ' 28' ' ' PRO . 77.9 tttt 72.17 -39.49 0.45 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.093 0.557 . . . . 0.0 110.911 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 30' ' ' THR . . . . . 0.426 ' H ' ' C ' ' D' ' 28' ' ' PRO . 60.0 m . . . . . 0 C--O 1.25 1.117 0 CA-C-O 117.921 -1.038 . . . . 0.0 108.82 178.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.198 0 N-CA-C 111.821 -0.511 . . . . 0.0 111.821 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' E' E ' 2' ' ' ILE . . . . . . . . . . . . . 13.9 tt -67.0 -32.57 58.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 -179.353 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 3' ' ' VAL . . . . . 0.748 HG11 ' HG3' ' F' ' 4' ' ' GLN . 55.5 t -68.0 -57.22 10.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.583 -179.655 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' E' E ' 4' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -68.59 -12.63 61.56 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -179.1 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -90.86 -37.18 13.75 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.843 0.354 . . . . 0.0 110.668 179.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 6' ' ' CYS . . . . . . . . . . . . . 71.3 m -101.35 -27.09 13.36 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.18 0.807 . . . . 0.0 113.18 -177.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 7' ' ' CYS . . . . . 0.451 ' O ' HG11 ' J' ' 2' ' ' VAL . 8.3 t -96.84 40.07 1.15 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.291 0.567 . . . . 0.0 111.214 -179.481 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.93 -50.14 2.18 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 178.012 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' E' E ' 9' ' ' SER . . . . . . . . . . . . . 73.7 m -147.68 18.75 1.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.639 178.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 10' ' ' ILE . . . . . . . . . . . . . 2.1 mp 70.37 134.83 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 CA-C-N 115.223 -0.899 . . . . 0.0 111.792 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 11' ' ' CYS . . . . . . . . . . . . . 38.2 m -83.95 155.35 22.87 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.355 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 12' ' ' SER . . . . . . . . . . . . . 30.6 t -79.87 162.4 25.05 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.621 178.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 40.2 tp -55.91 -37.39 68.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.194 0.521 . . . . 0.0 111.042 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -77.92 -14.04 59.68 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.76 -0.655 . . . . 0.0 112.216 -179.142 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 15' ' ' GLN . . . . . 0.435 ' HA ' ' ND2' ' E' ' 18' ' ' ASN . 83.3 mt-30 -87.01 -40.65 14.54 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.075 0.464 . . . . 0.0 110.224 179.337 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' E' E ' 16' ' ' LEU . . . . . . . . . . . . . 59.8 mt -66.38 -33.83 76.59 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.625 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 17' ' ' GLU . . . . . . . . . . . . . 62.1 tt0 -67.05 -16.41 64.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.82 0.343 . . . . 0.0 111.09 -179.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 18' ' ' ASN . . . . . 0.435 ' ND2' ' HA ' ' E' ' 15' ' ' GLN . 83.0 m-20 -68.94 -20.83 64.22 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.789 0.328 . . . . 0.0 110.491 179.02 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' E' E ' 19' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -99.93 -1.43 37.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.073 0.463 . . . . 0.0 110.739 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 20' ' ' CYS . . . . . . . . . . . . . 11.2 t -83.82 157.19 22.13 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.062 -179.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 21' ' ' ASN . . . . . . . . . . . . . 5.3 m120 . . . . . 0 C--O 1.246 0.87 0 CA-C-O 118.8 -0.619 . . . . 0.0 109.932 179.627 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' F' F ' 1' ' ' PHE . . . . . . . . . . . . . 3.9 p90 . . . . . 0 N--CA 1.48 1.065 0 CA-C-O 121.751 0.786 . . . . 0.0 110.816 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' F' F ' 2' ' ' VAL . . . . . 0.421 HG11 ' O ' ' A' ' 7' ' ' CYS . 5.5 p -125.96 87.61 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 121.81 0.814 . . . . 0.0 110.744 -179.472 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' F' F ' 3' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -166.46 -57.39 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.203 -179.487 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 4' ' ' GLN . . . . . 0.748 ' HG3' HG11 ' E' ' 3' ' ' VAL . 43.8 tt0 -51.47 -37.67 50.07 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' F' F ' 5' ' ' HIS . . . . . 0.577 ' CE1' ' HA ' ' H' ' 17' ' ' LEU . 26.9 t60 -82.86 -6.67 59.55 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 113.239 0.829 . . . . 0.0 113.239 -177.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' F' F ' 6' ' ' LEU . . . . . . . . . . . . . 13.9 mt -117.97 -41.22 2.91 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 121.703 0.763 . . . . 0.0 110.426 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 7' ' ' CYS . . . . . 0.534 ' SG ' HD21 ' F' ' 11' ' ' LEU . 15.9 t -68.51 -40.6 80.78 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.773 -1.103 . . . . 0.0 110.508 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' F' F ' 8' ' ' GLY . . . . . 0.507 ' O ' HG22 ' F' ' 12' ' ' VAL . . . -52.13 -34.86 40.42 Favored Glycine 0 C--N 1.337 0.635 0 CA-C-N 116.023 -0.535 . . . . 0.0 113.099 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' F' F ' 9' ' ' SER . . . . . 0.671 ' HB2' ' HG3' ' H' ' 13' ' ' GLU . 0.0 OUTLIER -58.33 -28.93 65.53 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 122.838 0.455 . . . . 0.0 111.996 -179.755 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' F' F ' 10' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -94.74 -21.85 18.48 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.953 -179.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 11' ' ' LEU . . . . . 0.534 HD21 ' SG ' ' F' ' 7' ' ' CYS . 9.0 mt -70.78 -39.13 73.35 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 177.534 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' F' F ' 12' ' ' VAL . . . . . 0.534 ' HA ' HD12 ' F' ' 15' ' ' LEU . 14.4 m -73.68 -34.34 40.98 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.786 179.388 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' F' F ' 13' ' ' GLU . . . . . 0.657 ' HG3' ' HB2' ' H' ' 9' ' ' SER . 32.6 tt0 -61.35 -36.88 81.42 Favored 'General case' 0 N--CA 1.462 0.159 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 179.252 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' F' F ' 14' ' ' ALA . . . . . 0.478 ' O ' HG23 ' F' ' 18' ' ' VAL . . . -76.92 -32.76 57.6 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.488 178.307 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' F' F ' 15' ' ' LEU . . . . . 0.534 HD12 ' HA ' ' F' ' 12' ' ' VAL . 26.3 mt -58.06 -60.7 3.33 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' F' F ' 16' ' ' TYR . . . . . 0.935 ' HB3' ' HE2' ' F' ' 24' ' ' PHE . 8.0 p90 -72.46 -9.34 58.41 Favored 'General case' 0 N--CA 1.463 0.198 0 C-N-CA 119.94 -0.704 . . . . 0.0 110.389 -179.48 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' F' F ' 17' ' ' LEU . . . . . 0.589 ' HA ' ' CE1' ' H' ' 5' ' ' HIS . 9.4 tt -73.58 -40.85 63.59 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 177.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . 0.478 HG23 ' O ' ' F' ' 14' ' ' ALA . 76.7 t -74.51 -42.94 49.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.869 178.575 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' F' F ' 19' ' ' CYS . . . . . 0.717 ' HB3' ' HB2' ' F' ' 22' ' ' ARG . 71.3 m -67.57 -41.55 83.98 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.199 -0.91 . . . . 0.0 111.71 -179.522 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' F' F ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.24 -97.18 0.75 Allowed Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.847 -0.692 . . . . 0.0 111.817 -179.286 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 21' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -89.04 -14.44 36.41 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.46 0.648 . . . . 0.0 109.56 179.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 22' ' ' ARG . . . . . 0.717 ' HB2' ' HB3' ' F' ' 19' ' ' CYS . 71.5 mtp180 -81.4 160.53 24.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.122 179.272 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' F' F ' 23' ' ' GLY . . . . . 0.706 ' HA2' ' HD2' ' H' ' 28' ' ' PRO . . . -109.23 -170.47 20.61 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.588 -0.815 . . . . 0.0 111.53 179.064 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' F' F ' 24' ' ' PHE . . . . . 0.935 ' HE2' ' HB3' ' F' ' 16' ' ' TYR . 29.7 p90 -160.87 159.41 29.74 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 117.307 0.554 . . . . 0.0 111.247 179.628 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' F' F ' 25' ' ' PHE . . . . . . . . . . . . . 15.5 m-30 -104.49 107.73 18.81 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 179.062 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 26' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -107.55 99.67 9.15 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.265 0.555 . . . . 0.0 111.971 -178.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 27' ' ' THR . . . . . 0.657 ' HA ' ' HA3' ' H' ' 23' ' ' GLY . 4.5 m -118.73 99.3 51.3 Favored Pre-proline 0 C--N 1.315 -0.899 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 177.698 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' F' F ' 28' ' ' PRO . . . . . 0.697 ' HD2' ' HA2' ' H' ' 23' ' ' GLY . 32.1 Cg_endo -64.59 -113.79 0.0 OUTLIER 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.833 2.355 . . . . 0.0 112.638 -178.35 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' F' F ' 29' ' ' LYS . . . . . 0.479 ' H ' ' HB2' ' F' ' 28' ' ' PRO . 76.8 tttt 72.25 -41.04 0.49 Allowed 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 123.175 0.59 . . . . 0.0 110.861 -179.722 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' F' F ' 30' ' ' THR . . . . . 0.42 ' H ' ' C ' ' F' ' 28' ' ' PRO . 41.0 m . . . . . 0 C--O 1.253 1.273 0 CA-C-O 117.846 -1.073 . . . . 0.0 108.456 178.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' G' G ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.106 0 N-CA-C 111.589 -0.604 . . . . 0.0 111.589 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' G' G ' 2' ' ' ILE . . . . . . . . . . . . . 13.5 tt -66.48 -32.26 57.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 -179.197 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' G' G ' 3' ' ' VAL . . . . . 0.748 HG11 ' HG3' ' H' ' 4' ' ' GLN . 56.6 t -68.63 -56.25 13.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 C-N-CA 121.166 -0.214 . . . . 0.0 111.522 -179.698 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' G' G ' 4' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -69.06 -13.27 62.35 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -179.402 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' G' G ' 5' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -90.1 -37.9 13.92 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.901 179.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' G' G ' 6' ' ' CYS . . . . . . . . . . . . . 71.3 m -100.31 -27.47 13.46 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 -177.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' G' G ' 7' ' ' CYS . . . . . 0.438 ' O ' HG11 ' D' ' 2' ' ' VAL . 8.6 t -96.71 40.59 1.13 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.337 0.589 . . . . 0.0 111.186 -179.348 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' G' G ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.72 -50.04 2.09 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 178.161 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' G' G ' 9' ' ' SER . . . . . . . . . . . . . 57.9 m -146.95 16.67 1.22 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.754 178.354 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' G' G ' 10' ' ' ILE . . . . . . . . . . . . . 2.1 mp 71.67 131.83 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.25 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.795 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' G' G ' 11' ' ' CYS . . . . . . . . . . . . . 48.2 m -80.5 153.97 27.83 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.64 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' G' G ' 12' ' ' SER . . . . . . . . . . . . . 40.7 t -78.72 162.86 25.87 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.485 178.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' G' G ' 13' ' ' LEU . . . . . . . . . . . . . 40.1 tp -56.16 -38.82 71.41 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.093 0.473 . . . . 0.0 110.865 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -75.92 -14.38 60.25 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.166 -179.185 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' G' G ' 15' ' ' GLN . . . . . 0.434 ' HA ' ' ND2' ' G' ' 18' ' ' ASN . 83.3 mt-30 -86.87 -40.49 14.84 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.997 0.427 . . . . 0.0 110.49 179.343 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' G' G ' 16' ' ' LEU . . . . . . . . . . . . . 56.1 mt -66.94 -33.69 76.14 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.504 -179.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' G' G ' 17' ' ' GLU . . . . . . . . . . . . . 65.2 tt0 -67.05 -16.21 64.2 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.198 -179.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' G' G ' 18' ' ' ASN . . . . . 0.434 ' ND2' ' HA ' ' G' ' 15' ' ' GLN . 82.4 m-20 -69.4 -20.48 63.81 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.772 0.32 . . . . 0.0 110.626 179.212 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' G' G ' 19' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -100.12 -1.54 36.47 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.486 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' G' G ' 20' ' ' CYS . . . . . . . . . . . . . 11.3 t -83.92 156.64 22.26 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.017 -179.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' G' G ' 21' ' ' ASN . . . . . . . . . . . . . 6.1 m120 . . . . . 0 C--O 1.246 0.911 0 CA-C-O 118.702 -0.666 . . . . 0.0 110.112 179.76 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' H' H ' 1' ' ' PHE . . . . . . . . . . . . . 3.5 p90 . . . . . 0 N--CA 1.48 1.049 0 CA-C-O 121.786 0.803 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' H' H ' 2' ' ' VAL . . . . . 0.453 HG11 ' O ' ' K' ' 7' ' ' CYS . 5.7 p -123.18 90.19 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.723 0.773 . . . . 0.0 110.607 -179.632 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' H' H ' 3' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -168.76 -58.11 0.02 OUTLIER 'General case' 0 C--O 1.217 -0.622 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.145 -179.45 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' H' H ' 4' ' ' GLN . . . . . 0.748 ' HG3' HG11 ' G' ' 3' ' ' VAL . 43.8 tt0 -51.22 -37.71 48.44 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' H' H ' 5' ' ' HIS . . . . . 0.589 ' CE1' ' HA ' ' F' ' 17' ' ' LEU . 27.5 t60 -83.11 -6.3 59.43 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 -177.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' H' H ' 6' ' ' LEU . . . . . . . . . . . . . 13.2 mt -118.33 -40.85 2.89 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 121.591 0.71 . . . . 0.0 110.389 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' H' H ' 7' ' ' CYS . . . . . 0.503 ' SG ' HD21 ' H' ' 11' ' ' LEU . 16.3 t -68.92 -40.27 79.18 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 114.81 -1.086 . . . . 0.0 110.621 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' H' H ' 8' ' ' GLY . . . . . 0.532 ' O ' HG22 ' H' ' 12' ' ' VAL . . . -52.65 -34.0 42.77 Favored Glycine 0 C--N 1.337 0.591 0 CA-C-N 116.012 -0.54 . . . . 0.0 113.094 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' H' H ' 9' ' ' SER . . . . . 0.657 ' HB2' ' HG3' ' F' ' 13' ' ' GLU . 0.0 OUTLIER -58.66 -28.99 66.24 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 122.884 0.474 . . . . 0.0 111.837 -179.912 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' H' H ' 10' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -95.01 -21.81 18.35 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.885 -179.476 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' H' H ' 11' ' ' LEU . . . . . 0.503 HD21 ' SG ' ' H' ' 7' ' ' CYS . 9.0 mt -70.63 -39.07 73.93 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 107.537 -1.283 . . . . 0.0 107.537 177.433 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' H' H ' 12' ' ' VAL . . . . . 0.532 HG22 ' O ' ' H' ' 8' ' ' GLY . 14.9 m -73.72 -34.0 39.74 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.921 179.399 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' H' H ' 13' ' ' GLU . . . . . 0.671 ' HG3' ' HB2' ' F' ' 9' ' ' SER . 33.4 tt0 -61.86 -36.65 81.87 Favored 'General case' 0 C--N 1.34 0.196 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 179.248 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' H' H ' 14' ' ' ALA . . . . . 0.476 ' O ' HG23 ' H' ' 18' ' ' VAL . . . -76.89 -32.74 57.65 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.602 178.105 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' H' H ' 15' ' ' LEU . . . . . 0.519 HD12 ' HA ' ' H' ' 12' ' ' VAL . 25.0 mt -58.19 -60.56 3.57 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -179.671 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' H' H ' 16' ' ' TYR . . . . . 0.944 ' HB3' ' HE2' ' H' ' 24' ' ' PHE . 8.2 p90 -72.52 -9.5 58.63 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.03 -0.668 . . . . 0.0 110.511 -179.488 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' H' H ' 17' ' ' LEU . . . . . 0.577 ' HA ' ' CE1' ' F' ' 5' ' ' HIS . 9.7 tt -73.42 -39.82 64.74 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 177.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . 0.476 HG23 ' O ' ' H' ' 14' ' ' ALA . 66.9 t -76.08 -43.25 38.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.364 -0.834 . . . . 0.0 109.665 178.455 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' H' H ' 19' ' ' CYS . . . . . 0.696 ' HB3' ' HB2' ' H' ' 22' ' ' ARG . 71.0 m -66.19 -42.25 89.09 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.441 -0.799 . . . . 0.0 111.475 -179.684 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' H' H ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.93 -96.12 0.76 Allowed Glycine 0 CA--C 1.505 -0.572 0 C-N-CA 120.769 -0.729 . . . . 0.0 111.924 -179.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' H' H ' 21' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -90.31 -14.52 33.03 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-O 121.414 0.626 . . . . 0.0 109.505 179.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' H' H ' 22' ' ' ARG . . . . . 0.696 ' HB2' ' HB3' ' H' ' 19' ' ' CYS . 70.0 mtp180 -81.62 161.42 23.48 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.228 -0.897 . . . . 0.0 110.003 179.504 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' H' H ' 23' ' ' GLY . . . . . 0.697 ' HA2' ' HD2' ' F' ' 28' ' ' PRO . . . -109.75 -170.3 20.2 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.665 -0.779 . . . . 0.0 111.298 178.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' H' H ' 24' ' ' PHE . . . . . 0.944 ' HE2' ' HB3' ' H' ' 16' ' ' TYR . 29.6 p90 -161.02 158.88 28.63 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 117.367 0.583 . . . . 0.0 111.39 179.738 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' H' H ' 25' ' ' PHE . . . . . . . . . . . . . 15.5 m-30 -103.68 109.62 21.39 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 178.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' H' H ' 26' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -109.38 98.72 8.08 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.051 0.453 . . . . 0.0 111.814 -178.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' H' H ' 27' ' ' THR . . . . . 0.675 ' HA ' ' HA3' ' F' ' 23' ' ' GLY . 6.2 m -118.04 99.46 51.94 Favored Pre-proline 0 C--N 1.315 -0.928 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 177.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' H' H ' 28' ' ' PRO . . . . . 0.706 ' HD2' ' HA2' ' F' ' 23' ' ' GLY . 29.4 Cg_endo -64.06 -113.62 0.0 OUTLIER 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 123.065 2.51 . . . . 0.0 112.726 -178.241 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' H' H ' 29' ' ' LYS . . . . . 0.432 ' H ' ' HB2' ' H' ' 28' ' ' PRO . 75.4 tttt 71.98 -42.71 0.54 Allowed 'General case' 0 N--CA 1.467 0.375 0 C-N-CA 123.019 0.528 . . . . 0.0 110.761 -179.683 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' H' H ' 30' ' ' THR . . . . . . . . . . . . . 59.8 m . . . . . 0 C--O 1.251 1.179 0 CA-C-O 117.915 -1.04 . . . . 0.0 108.787 178.864 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' I' I ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.571 0 N-CA-C 111.447 -0.661 . . . . 0.0 111.447 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' I' I ' 2' ' ' ILE . . . . . . . . . . . . . 13.4 tt -67.35 -32.49 57.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 116.795 0.297 . . . . 0.0 111.8 -178.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' I' I ' 3' ' ' VAL . . . . . 0.718 HG11 ' HG3' ' J' ' 4' ' ' GLN . 54.8 t -68.05 -57.49 9.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.64 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' I' I ' 4' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -68.42 -13.72 62.49 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -179.313 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' I' I ' 5' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -89.14 -38.03 14.62 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.944 179.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' I' I ' 6' ' ' CYS . . . . . . . . . . . . . 71.6 m -100.82 -26.65 13.69 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.404 0.89 . . . . 0.0 113.404 -177.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' I' I ' 7' ' ' CYS . . . . . 0.443 ' O ' HG11 ' B' ' 2' ' ' VAL . 8.5 t -97.17 40.26 1.15 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.465 0.65 . . . . 0.0 111.261 -179.446 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' I' I ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.45 -48.68 2.18 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.327 178.312 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' I' I ' 9' ' ' SER . . . . . . . . . . . . . 74.8 m -148.34 15.86 1.02 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.627 178.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' I' I ' 10' ' ' ILE . . . . . . . . . . . . . 2.1 mp 72.12 132.51 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.828 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' I' I ' 11' ' ' CYS . . . . . . . . . . . . . 38.9 m -81.14 155.15 26.37 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.558 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' I' I ' 12' ' ' SER . . . . . . . . . . . . . 43.7 t -79.6 163.29 24.73 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.49 178.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' I' I ' 13' ' ' LEU . . . . . . . . . . . . . 38.3 tp -56.43 -38.46 71.62 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.137 0.494 . . . . 0.0 110.96 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -75.64 -17.39 60.01 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.838 -0.619 . . . . 0.0 112.058 -179.358 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' I' I ' 15' ' ' GLN . . . . . 0.421 ' HA ' ' ND2' ' I' ' 18' ' ' ASN . 85.2 mt-30 -83.54 -41.08 18.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.89 0.376 . . . . 0.0 110.684 179.198 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' I' I ' 16' ' ' LEU . . . . . . . . . . . . . 55.6 mt -66.34 -34.07 77.14 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.601 -179.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' I' I ' 17' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -66.81 -15.72 63.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.185 -179.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' I' I ' 18' ' ' ASN . . . . . 0.421 ' ND2' ' HA ' ' I' ' 15' ' ' GLN . 83.6 m-20 -70.16 -18.97 63.22 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.838 0.352 . . . . 0.0 110.698 179.278 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' I' I ' 19' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -101.36 -2.59 30.59 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.239 0.543 . . . . 0.0 110.178 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' I' I ' 20' ' ' CYS . . . . . . . . . . . . . 11.3 t -82.77 155.18 24.38 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.112 -179.233 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' I' I ' 21' ' ' ASN . . . . . . . . . . . . . 5.0 m120 . . . . . 0 C--O 1.246 0.879 0 CA-C-O 118.427 -0.797 . . . . 0.0 110.59 179.798 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' J' J ' 1' ' ' PHE . . . . . . . . . . . . . 3.8 p90 . . . . . 0 N--CA 1.483 1.181 0 CA-C-O 121.681 0.753 . . . . 0.0 111.256 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' J' J ' 2' ' ' VAL . . . . . 0.451 HG11 ' O ' ' E' ' 7' ' ' CYS . 5.6 p -124.94 88.38 1.27 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 CA-C-O 121.945 0.879 . . . . 0.0 111.069 -179.758 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' J' J ' 3' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -167.09 -57.44 0.03 OUTLIER 'General case' 0 C--O 1.215 -0.728 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.267 -179.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' J' J ' 4' ' ' GLN . . . . . 0.718 ' HG3' HG11 ' I' ' 3' ' ' VAL . 43.7 tt0 -51.89 -36.61 49.33 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.942 0.401 . . . . 0.0 112.009 -179.633 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' J' J ' 5' ' ' HIS . . . . . 0.577 ' CE1' ' HA ' ' L' ' 17' ' ' LEU . 27.4 t60 -84.13 -5.65 59.28 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 -178.034 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' J' J ' 6' ' ' LEU . . . . . . . . . . . . . 13.5 mt -118.56 -42.05 2.78 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.703 0.763 . . . . 0.0 110.356 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' J' J ' 7' ' ' CYS . . . . . 0.52 ' SG ' HD21 ' J' ' 11' ' ' LEU . 15.6 t -67.95 -40.24 83.27 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.753 -1.112 . . . . 0.0 110.689 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' J' J ' 8' ' ' GLY . . . . . 0.522 ' O ' HG22 ' J' ' 12' ' ' VAL . . . -52.53 -34.71 43.27 Favored Glycine 0 C--N 1.336 0.545 0 CA-C-N 115.946 -0.57 . . . . 0.0 113.001 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' J' J ' 9' ' ' SER . . . . . 0.656 ' HB2' ' HG3' ' L' ' 13' ' ' GLU . 0.0 OUTLIER -58.3 -29.37 65.81 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 122.895 0.478 . . . . 0.0 111.852 179.922 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' J' J ' 10' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -94.41 -21.96 18.6 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.666 -0.414 . . . . 0.0 111.013 -179.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' J' J ' 11' ' ' LEU . . . . . 0.52 HD21 ' SG ' ' J' ' 7' ' ' CYS . 9.2 mt -70.47 -39.26 74.34 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 177.509 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' J' J ' 12' ' ' VAL . . . . . 0.527 ' HA ' HD12 ' J' ' 15' ' ' LEU . 14.4 m -73.75 -33.73 38.75 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.12 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.775 179.468 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' J' J ' 13' ' ' GLU . . . . . 0.66 ' HG3' ' HB2' ' L' ' 9' ' ' SER . 33.0 tt0 -61.99 -36.97 83.1 Favored 'General case' 0 C--N 1.34 0.166 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 179.119 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' J' J ' 14' ' ' ALA . . . . . 0.477 ' O ' HG23 ' J' ' 18' ' ' VAL . . . -76.56 -32.8 58.41 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.705 178.24 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' J' J ' 15' ' ' LEU . . . . . 0.527 HD12 ' HA ' ' J' ' 12' ' ' VAL . 25.9 mt -58.21 -60.59 3.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.973 -179.717 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' J' J ' 16' ' ' TYR . . . . . 0.929 ' HB3' ' HE2' ' J' ' 24' ' ' PHE . 7.8 p90 -72.48 -9.08 58.11 Favored 'General case' 0 N--CA 1.462 0.149 0 C-N-CA 119.903 -0.719 . . . . 0.0 110.539 -179.522 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' J' J ' 17' ' ' LEU . . . . . 0.551 ' HA ' ' CE1' ' L' ' 5' ' ' HIS . 9.7 tt -73.73 -39.91 63.94 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 177.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' J' J ' 18' ' ' VAL . . . . . 0.477 HG23 ' O ' ' J' ' 14' ' ' ALA . 67.6 t -75.71 -43.67 40.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.177 -0.92 . . . . 0.0 109.799 178.485 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' J' J ' 19' ' ' CYS . . . . . 0.691 ' HB3' ' HB2' ' J' ' 22' ' ' ARG . 71.9 m -66.57 -40.5 89.0 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.911 -179.6 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' J' J ' 20' ' ' GLY . . . . . . . . . . . . . . . 70.96 -97.12 0.63 Allowed Glycine 0 CA--C 1.508 -0.401 0 C-N-CA 120.862 -0.685 . . . . 0.0 111.83 -179.479 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' J' J ' 21' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -89.1 -13.93 37.42 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 121.438 0.637 . . . . 0.0 109.629 179.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' J' J ' 22' ' ' ARG . . . . . 0.691 ' HB2' ' HB3' ' J' ' 19' ' ' CYS . 71.4 mtp180 -82.19 160.73 22.97 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.97 179.4 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' J' J ' 23' ' ' GLY . . . . . 0.701 ' HA2' ' HD2' ' L' ' 28' ' ' PRO . . . -109.01 -170.84 20.81 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.739 -0.743 . . . . 0.0 111.257 179.027 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' J' J ' 24' ' ' PHE . . . . . 0.929 ' HE2' ' HB3' ' J' ' 16' ' ' TYR . 29.3 p90 -160.65 159.54 30.49 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 117.287 0.543 . . . . 0.0 111.118 179.681 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' J' J ' 25' ' ' PHE . . . . . . . . . . . . . 15.3 m-30 -104.09 110.74 23.03 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 178.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' J' J ' 26' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -110.28 98.85 8.0 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.11 0.481 . . . . 0.0 111.721 -178.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' J' J ' 27' ' ' THR . . . . . 0.659 ' HA ' ' HA3' ' L' ' 23' ' ' GLY . 5.6 m -118.31 99.44 51.68 Favored Pre-proline 0 C--N 1.315 -0.918 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 177.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' J' J ' 28' ' ' PRO . . . . . 0.712 ' HD2' ' HA2' ' L' ' 23' ' ' GLY . 30.0 Cg_endo -64.52 -114.14 0.0 OUTLIER 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.938 2.425 . . . . 0.0 112.549 -178.403 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' J' J ' 29' ' ' LYS . . . . . 0.46 ' H ' ' HB2' ' J' ' 28' ' ' PRO . 76.2 tttt 72.14 -42.17 0.53 Allowed 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 122.989 0.516 . . . . 0.0 110.845 -179.549 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' J' J ' 30' ' ' THR . . . . . 0.406 ' H ' ' C ' ' J' ' 28' ' ' PRO . 29.7 m . . . . . 0 C--O 1.251 1.182 0 CA-C-O 117.95 -1.024 . . . . 0.0 108.792 178.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.573 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' K' K ' 2' ' ' ILE . . . . . . . . . . . . . 14.2 tt -66.74 -32.4 57.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 111.714 0.264 . . . . 0.0 111.714 -179.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' K' K ' 3' ' ' VAL . . . . . 0.746 HG11 ' HG3' ' L' ' 4' ' ' GLN . 52.5 t -68.38 -56.65 11.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 C-N-CA 120.999 -0.28 . . . . 0.0 111.634 -179.778 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' K' K ' 4' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -68.99 -12.45 61.69 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -179.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' K' K ' 5' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -90.32 -38.66 13.22 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.929 0.395 . . . . 0.0 110.797 179.555 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' K' K ' 6' ' ' CYS . . . . . . . . . . . . . 71.2 m -99.57 -28.46 13.2 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 113.38 0.882 . . . . 0.0 113.38 -178.111 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' K' K ' 7' ' ' CYS . . . . . 0.453 ' O ' HG11 ' H' ' 2' ' ' VAL . 8.4 t -95.95 40.24 1.12 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.382 0.61 . . . . 0.0 111.395 -179.261 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' K' K ' 8' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -121.54 -49.65 2.13 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 178.083 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' K' K ' 9' ' ' SER . . . . . . . . . . . . . 75.1 m -147.61 17.33 1.15 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.734 178.586 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' K' K ' 10' ' ' ILE . . . . . . . . . . . . . 2.0 mp 71.08 132.89 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 CA-C-N 115.07 -0.968 . . . . 0.0 111.776 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' K' K ' 11' ' ' CYS . . . . . . . . . . . . . 41.2 m -81.73 154.37 26.06 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.551 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' K' K ' 12' ' ' SER . . . . . . . . . . . . . 34.8 t -79.48 161.98 25.72 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.56 178.505 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' K' K ' 13' ' ' LEU . . . . . . . . . . . . . 42.1 tp -55.41 -37.64 67.88 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.099 0.476 . . . . 0.0 111.135 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -76.74 -16.8 59.39 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.856 -179.148 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' K' K ' 15' ' ' GLN . . . . . 0.403 ' HA ' ' ND2' ' K' ' 18' ' ' ASN . 83.7 mt-30 -84.25 -41.21 17.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.993 0.425 . . . . 0.0 110.502 179.397 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' K' K ' 16' ' ' LEU . . . . . . . . . . . . . 59.4 mt -66.16 -34.16 77.42 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.722 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' K' K ' 17' ' ' GLU . . . . . . . . . . . . . 63.0 tt0 -67.39 -15.78 63.87 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.949 -0.3 . . . . 0.0 111.158 -179.305 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' K' K ' 18' ' ' ASN . . . . . 0.403 ' ND2' ' HA ' ' K' ' 15' ' ' GLN . 83.4 m-20 -69.66 -20.09 63.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.812 0.339 . . . . 0.0 110.735 179.016 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' K' K ' 19' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -100.38 -1.13 36.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.033 0.444 . . . . 0.0 110.358 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' K' K ' 20' ' ' CYS . . . . . . . . . . . . . 11.5 t -84.03 156.86 22.03 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.041 -179.284 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' K' K ' 21' ' ' ASN . . . . . . . . . . . . . 5.3 m120 . . . . . 0 C--O 1.248 0.975 0 CA-C-O 118.726 -0.654 . . . . 0.0 109.871 179.461 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' L' L ' 1' ' ' PHE . . . . . . . . . . . . . 3.2 p90 . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 121.885 0.85 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' L' L ' 2' ' ' VAL . . . . . 0.426 HG11 ' O ' ' C' ' 7' ' ' CYS . 6.0 p -121.74 91.05 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.882 0.848 . . . . 0.0 110.806 -179.625 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' L' L ' 3' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -169.35 -58.07 0.02 OUTLIER 'General case' 0 C--O 1.216 -0.681 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.215 -179.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' L' L ' 4' ' ' GLN . . . . . 0.746 ' HG3' HG11 ' K' ' 3' ' ' VAL . 45.3 tt0 -51.48 -37.15 47.52 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.97 0.414 . . . . 0.0 112.083 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' L' L ' 5' ' ' HIS . . . . . 0.551 ' CE1' ' HA ' ' J' ' 17' ' ' LEU . 26.4 t60 -83.66 -5.89 59.3 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 113.214 0.82 . . . . 0.0 113.214 -177.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' L' L ' 6' ' ' LEU . . . . . . . . . . . . . 14.1 mt -119.04 -40.33 2.85 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-O 121.707 0.765 . . . . 0.0 110.33 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' L' L ' 7' ' ' CYS . . . . . 0.532 ' SG ' HD21 ' L' ' 11' ' ' LEU . 17.1 t -69.37 -40.26 77.54 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.805 -1.089 . . . . 0.0 110.61 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' L' L ' 8' ' ' GLY . . . . . 0.516 ' O ' HG22 ' L' ' 12' ' ' VAL . . . -52.68 -34.27 43.48 Favored Glycine 0 C--N 1.334 0.469 0 CA-C-N 115.923 -0.58 . . . . 0.0 113.049 179.775 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' L' L ' 9' ' ' SER . . . . . 0.66 ' HB2' ' HG3' ' J' ' 13' ' ' GLU . 0.0 OUTLIER -58.64 -29.26 66.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.072 0.463 . . . . 0.0 111.879 -179.936 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' L' L ' 10' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -94.22 -22.6 18.31 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.085 -179.553 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' L' L ' 11' ' ' LEU . . . . . 0.532 HD21 ' SG ' ' L' ' 7' ' ' CYS . 8.9 mt -70.06 -39.15 75.85 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 107.602 -1.258 . . . . 0.0 107.602 177.598 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' L' L ' 12' ' ' VAL . . . . . 0.516 HG22 ' O ' ' L' ' 8' ' ' GLY . 15.1 m -73.48 -34.31 42.24 Favored 'Isoleucine or valine' 0 C--O 1.232 0.184 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.963 179.402 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' L' L ' 13' ' ' GLU . . . . . 0.656 ' HG3' ' HB2' ' J' ' 9' ' ' SER . 33.0 tt0 -61.54 -36.74 81.46 Favored 'General case' 0 C--N 1.34 0.166 0 N-CA-C 108.582 -0.895 . . . . 0.0 108.582 179.278 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' L' L ' 14' ' ' ALA . . . . . 0.467 ' O ' HG23 ' L' ' 18' ' ' VAL . . . -76.87 -33.39 57.86 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.502 178.241 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' L' L ' 15' ' ' LEU . . . . . 0.511 HD12 ' HA ' ' L' ' 12' ' ' VAL . 27.9 mt -57.25 -60.77 3.13 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' L' L ' 16' ' ' TYR . . . . . 0.934 ' HB3' ' HE2' ' L' ' 24' ' ' PHE . 8.2 p90 -72.45 -9.34 58.41 Favored 'General case' 0 C--N 1.333 -0.114 0 C-N-CA 120.078 -0.649 . . . . 0.0 110.627 -179.434 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' L' L ' 17' ' ' LEU . . . . . 0.577 ' HA ' ' CE1' ' J' ' 5' ' ' HIS . 9.8 tt -74.08 -38.39 63.93 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 177.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' L' L ' 18' ' ' VAL . . . . . 0.467 HG23 ' O ' ' L' ' 14' ' ' ALA . 73.5 t -77.4 -42.23 30.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.362 -0.836 . . . . 0.0 109.646 178.683 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' L' L ' 19' ' ' CYS . . . . . 0.714 ' HB3' ' HB2' ' L' ' 22' ' ' ARG . 70.9 m -68.06 -40.2 82.84 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.708 -179.5 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' L' L ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.13 -96.06 0.6 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.009 -179.351 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' L' L ' 21' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -90.12 -14.43 33.69 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-O 121.46 0.648 . . . . 0.0 109.553 179.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' L' L ' 22' ' ' ARG . . . . . 0.714 ' HB2' ' HB3' ' L' ' 19' ' ' CYS . 70.9 mtp180 -81.74 160.62 23.58 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.026 179.35 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' L' L ' 23' ' ' GLY . . . . . 0.712 ' HA2' ' HD2' ' J' ' 28' ' ' PRO . . . -108.75 -169.97 20.95 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.725 -0.75 . . . . 0.0 111.259 179.052 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' L' L ' 24' ' ' PHE . . . . . 0.934 ' HE2' ' HB3' ' L' ' 16' ' ' TYR . 28.8 p90 -161.3 159.27 28.31 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 117.351 0.575 . . . . 0.0 111.005 179.572 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' L' L ' 25' ' ' PHE . . . . . . . . . . . . . 15.6 m-30 -104.27 108.13 19.37 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 179.094 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' L' L ' 26' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -107.8 99.53 8.99 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.305 0.574 . . . . 0.0 111.93 -178.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' L' L ' 27' ' ' THR . . . . . 0.652 ' HA ' ' HA3' ' J' ' 23' ' ' GLY . 4.7 m -118.6 99.8 51.33 Favored Pre-proline 0 C--N 1.315 -0.908 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 177.705 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' L' L ' 28' ' ' PRO . . . . . 0.701 ' HD2' ' HA2' ' J' ' 23' ' ' GLY . 32.0 Cg_endo -65.33 -114.74 0.0 OUTLIER 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.939 2.426 . . . . 0.0 112.407 -178.178 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' L' L ' 29' ' ' LYS . . . . . 0.474 ' H ' ' HB2' ' L' ' 28' ' ' PRO . 76.7 tttt . . . . . 0 N--CA 1.466 0.358 0 C-N-CA 123.002 0.521 . . . . 0.0 110.784 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.773 0 N-CA-C 111.613 -0.595 . . . . 0.0 111.613 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.424 ' HB ' ' CE1' ' A' ' 19' ' ' TYR . 7.2 tt -59.08 -40.9 81.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.8 0.333 . . . . 0.0 111.531 -179.379 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.489 HG21 ' HA ' ' B' ' 28' ' ' PRO . 40.8 t -62.1 -28.69 44.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.221 -179.68 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -76.14 -73.18 0.28 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.874 0.369 . . . . 0.0 111.225 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.501 ' HA ' HG22 ' A' ' 8' ' ' THR . 16.5 pt20 -50.76 -46.14 59.29 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 113.215 0.82 . . . . 0.0 113.215 -178.368 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 84.6 m -71.11 -24.92 62.38 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 -178.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.559 ' HB2' HD11 ' B' ' 11' ' ' LEU . 8.9 t -107.69 18.64 21.16 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.454 -0.498 . . . . 0.0 111.192 -179.746 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.501 HG22 ' HA ' ' A' ' 5' ' ' GLN . 13.4 t -120.65 -43.54 2.48 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.35 178.773 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.472 ' O ' ' HB ' ' A' ' 10' ' ' ILE . 58.1 m -143.87 19.35 1.8 Allowed 'General case' 0 CA--C 1.529 0.173 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 179.247 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.949 HG13 HG12 ' F' ' 2' ' ' VAL . 57.6 mt 72.12 141.6 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 CA-C-O 121.269 0.557 . . . . 0.0 111.98 178.504 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 96.8 m -106.2 149.65 26.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.454 179.174 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 28.8 t -77.4 157.85 30.36 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 178.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.477 HD21 HD21 ' G' ' 13' ' ' LEU . 58.8 tp -52.49 -46.66 66.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.329 -179.744 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -63.61 -33.1 74.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.581 -179.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.54 ' O ' ' HB3' ' A' ' 18' ' ' ASN . 87.8 mt-30 -70.72 -37.02 73.47 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 179.097 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 87.8 mt -69.34 -39.67 78.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.619 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.472 ' HG3' ' O ' ' A' ' 13' ' ' LEU . 33.6 mt-10 -61.98 -27.07 68.59 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.144 0.497 . . . . 0.0 110.268 179.272 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.54 ' HB3' ' O ' ' A' ' 15' ' ' GLN . 10.9 t30 -61.32 -27.59 68.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.783 179.34 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.424 ' CE1' ' HB ' ' A' ' 2' ' ' ILE . 82.7 m-85 -95.88 -86.32 0.31 Allowed 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 178.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 16.0 t 54.4 -114.06 0.84 Allowed 'General case' 0 CA--C 1.532 0.281 0 O-C-N 123.847 0.717 . . . . 0.0 110.681 179.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.637 ' HB2' ' HA ' ' B' ' 24' ' ' PHE . 13.3 t30 . . . . . 0 C--O 1.245 0.827 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 179.108 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 2.7 p90 . . . . . 0 N--CA 1.48 1.072 0 CA-C-O 121.623 0.725 . . . . 0.0 111.447 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . 0.976 HG12 HG13 ' I' ' 10' ' ' ILE . 16.3 m -130.53 97.51 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.701 0.763 . . . . 0.0 110.352 179.532 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . 0.54 ' O ' ' HB3' ' B' ' 7' ' ' CYS . 42.0 t30 -157.01 -52.81 0.08 Allowed 'General case' 0 C--O 1.217 -0.651 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.05 -179.409 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -58.78 -39.01 79.77 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.257 179.02 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . 0.716 ' HA ' ' HE1' ' D' ' 16' ' ' TYR . 7.9 t60 -77.23 -27.03 53.24 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.452 -179.388 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.632 HD13 ' HB2' ' J' ' 7' ' ' CYS . 36.5 mt -89.23 -60.5 1.93 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.694 0.759 . . . . 0.0 110.552 -179.076 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . 0.628 ' HB2' HD13 ' F' ' 6' ' ' LEU . 0.0 OUTLIER -61.8 -48.03 82.45 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 114.534 -1.212 . . . . 0.0 110.948 179.752 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . 0.7 ' HA2' ' HG ' ' B' ' 11' ' ' LEU . . . -59.41 -30.27 67.8 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 121.169 -0.539 . . . . 0.0 112.612 179.733 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . 0.456 ' OG ' ' HG3' ' D' ' 13' ' ' GLU . 0.3 OUTLIER -69.39 -10.23 57.05 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.941 0.401 . . . . 0.0 110.749 179.61 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -117.5 -9.15 10.89 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-O 120.766 0.317 . . . . 0.0 111.242 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.7 ' HG ' ' HA2' ' B' ' 8' ' ' GLY . 35.4 mt -69.23 -30.4 68.54 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 107.09 -1.448 . . . . 0.0 107.09 177.059 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.619 ' HB ' ' CZ ' ' B' ' 24' ' ' PHE . 10.7 m -68.19 -32.63 56.72 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 CA-C-N 114.596 -1.183 . . . . 0.0 109.89 177.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.457 ' HG3' ' OG ' ' D' ' 9' ' ' SER . 30.0 tt0 -64.45 -33.81 76.73 Favored 'General case' 0 C--O 1.231 0.101 0 N-CA-C 108.949 -0.759 . . . . 0.0 108.949 179.2 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . 0.438 ' O ' HG23 ' B' ' 18' ' ' VAL . . . -72.5 -48.82 37.47 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.656 177.711 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 95.9 mt -59.16 -35.77 74.11 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.496 0.665 . . . . 0.0 110.014 178.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . 0.723 ' HE1' ' HA ' ' D' ' 5' ' ' HIS . 2.1 t80 -56.56 -40.49 75.26 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.63 -1.168 . . . . 0.0 110.241 179.702 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.4 ' HG ' ' CB ' ' H' ' 14' ' ' ALA . 4.0 mm? -73.67 -43.93 58.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.524 179.219 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.438 HG23 ' O ' ' B' ' 14' ' ' ALA . 56.9 t -60.55 -47.15 94.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.174 -179.603 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . 0.513 ' HB3' ' HB3' ' B' ' 22' ' ' ARG . 78.7 m -80.64 -30.62 36.62 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.66 -179.35 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . 0.426 ' HA2' ' HE1' ' D' ' 5' ' ' HIS . . . 73.09 -136.78 23.04 Favored Glycine 0 N--CA 1.447 -0.567 0 N-CA-C 110.329 -1.108 . . . . 0.0 110.329 -178.338 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -85.86 57.25 4.37 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.725 0.774 . . . . 0.0 108.961 178.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . 0.513 ' HB3' ' HB3' ' B' ' 19' ' ' CYS . 33.4 ttt180 -118.95 -49.33 2.42 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.988 -1.005 . . . . 0.0 110.303 -178.581 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . 0.921 ' HA2' ' HD2' ' D' ' 28' ' ' PRO . . . 111.84 178.36 20.08 Favored Glycine 0 N--CA 1.445 -0.721 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.067 -178.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . 0.637 ' HA ' ' HB2' ' A' ' 21' ' ' ASN . 1.5 p90 -166.04 165.47 17.87 Favored 'General case' 0 C--O 1.24 0.562 0 CA-C-O 121.054 0.454 . . . . 0.0 110.948 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 12.3 p90 -122.67 126.8 48.33 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 177.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.445 ' CD2' ' HD3' ' B' ' 28' ' ' PRO . 24.6 t80 -129.35 122.69 30.02 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.929 -0.308 . . . . 0.0 110.363 -178.37 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . 0.449 ' HA ' ' HA3' ' D' ' 23' ' ' GLY . 1.1 p -128.08 78.94 74.67 Favored Pre-proline 0 C--N 1.325 -0.457 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 -178.487 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . 0.891 ' HD2' ' HA2' ' D' ' 23' ' ' GLY . 89.0 Cg_endo -81.64 135.88 9.35 Favored 'Trans proline' 0 N--CA 1.461 -0.438 0 C-N-CA 122.539 2.159 . . . . 0.0 110.231 177.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -154.13 125.41 7.4 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 119.863 -0.735 . . . . 0.0 112.344 -178.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' THR . . . . . 0.404 ' H ' ' HB3' ' D' ' 21' ' ' GLU . 1.4 p . . . . . 0 C--O 1.246 0.876 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 177.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.98 0 N-CA-C 112.161 -0.376 . . . . 0.0 112.161 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' C' C ' 2' ' ' ILE . . . . . 0.437 ' HB ' ' CE1' ' C' ' 19' ' ' TYR . 7.3 tt -58.05 -41.67 81.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.048 0.451 . . . . 0.0 111.643 -179.61 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 3' ' ' VAL . . . . . 0.489 HG21 ' HA ' ' D' ' 28' ' ' PRO . 39.8 t -60.62 -31.07 48.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.273 -179.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -74.66 -72.82 0.27 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.389 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 5' ' ' GLN . . . . . 0.502 ' HA ' HG22 ' C' ' 8' ' ' THR . 15.9 pt20 -51.58 -43.04 62.33 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 113.475 0.917 . . . . 0.0 113.475 -178.045 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 82.0 m -74.13 -24.54 59.44 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -178.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 7' ' ' CYS . . . . . 0.584 ' HB2' HD11 ' D' ' 11' ' ' LEU . 9.5 t -107.87 18.71 20.97 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.954 -179.677 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 8' ' ' THR . . . . . 0.502 HG22 ' HA ' ' C' ' 5' ' ' GLN . 12.3 t -120.3 -43.6 2.51 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.353 178.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 9' ' ' SER . . . . . 0.44 ' O ' ' HB ' ' C' ' 10' ' ' ILE . 63.7 m -144.85 21.13 1.63 Allowed 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 179.162 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . 0.936 HG13 HG12 ' L' ' 2' ' ' VAL . 57.0 mt 70.96 141.7 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 CA-C-O 121.352 0.596 . . . . 0.0 112.409 178.342 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 99.4 m -106.62 149.38 27.26 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.08 0.467 . . . . 0.0 110.476 179.011 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 40.9 t -77.21 157.18 31.01 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.507 178.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 13' ' ' LEU . . . . . 0.474 ' O ' ' HG3' ' C' ' 17' ' ' GLU . 58.1 tp -52.01 -46.75 65.08 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.505 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -64.14 -32.58 74.2 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.64 -179.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . 0.502 ' O ' ' HB3' ' C' ' 18' ' ' ASN . 88.4 mt-30 -70.65 -37.23 73.7 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.11 0.481 . . . . 0.0 109.862 179.145 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 87.9 mt -69.27 -39.41 78.41 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.789 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 17' ' ' GLU . . . . . 0.474 ' HG3' ' O ' ' C' ' 13' ' ' LEU . 40.6 mt-10 -61.78 -28.39 69.42 Favored 'General case' 0 N--CA 1.461 0.095 0 CA-C-O 120.961 0.41 . . . . 0.0 110.337 179.328 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 18' ' ' ASN . . . . . 0.502 ' HB3' ' O ' ' C' ' 15' ' ' GLN . 10.5 t30 -59.97 -28.96 68.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.778 179.699 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 19' ' ' TYR . . . . . 0.437 ' CE1' ' HB ' ' C' ' 2' ' ' ILE . 80.6 m-85 -94.27 -86.15 0.28 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.304 -0.407 . . . . 0.0 109.906 178.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 15.9 t 54.12 -113.33 0.77 Allowed 'General case' 0 CA--C 1.533 0.314 0 O-C-N 123.742 0.651 . . . . 0.0 110.541 179.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 21' ' ' ASN . . . . . 0.649 ' HB2' ' HA ' ' D' ' 24' ' ' PHE . 14.1 t30 . . . . . 0 C--O 1.243 0.739 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 179.14 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 2.8 p90 . . . . . 0 N--CA 1.481 1.093 0 CA-C-O 121.395 0.616 . . . . 0.0 111.523 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' D' D ' 2' ' ' VAL . . . . . 0.93 HG12 HG13 ' G' ' 10' ' ' ILE . 16.1 m -131.23 97.35 2.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.681 0.753 . . . . 0.0 110.35 179.336 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 3' ' ' ASN . . . . . 0.534 ' O ' ' HB3' ' D' ' 7' ' ' CYS . 42.4 t30 -156.77 -52.81 0.08 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.129 -179.688 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -58.4 -38.91 78.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.171 179.007 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 5' ' ' HIS . . . . . 0.723 ' HA ' ' HE1' ' B' ' 16' ' ' TYR . 8.6 t60 -77.4 -27.18 52.32 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.585 -179.282 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 6' ' ' LEU . . . . . 0.636 HD13 ' HB2' ' H' ' 7' ' ' CYS . 33.9 mt -89.36 -59.24 2.27 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.61 0.719 . . . . 0.0 110.631 -179.008 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 7' ' ' CYS . . . . . 0.633 ' HB2' HD13 ' L' ' 6' ' ' LEU . 0.0 OUTLIER -63.22 -47.88 80.66 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 114.685 -1.143 . . . . 0.0 110.784 179.916 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' D' D ' 8' ' ' GLY . . . . . 0.702 ' HA2' ' HG ' ' D' ' 11' ' ' LEU . . . -59.6 -29.75 67.44 Favored Glycine 0 C--N 1.331 0.302 0 C-N-CA 121.063 -0.589 . . . . 0.0 112.627 179.676 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 9' ' ' SER . . . . . 0.457 ' OG ' ' HG3' ' B' ' 13' ' ' GLU . 0.3 OUTLIER -69.57 -9.94 56.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.891 0.377 . . . . 0.0 110.776 179.474 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' D' D ' 10' ' ' HIS . . . . . . . . . . . . . 87.5 m-70 -118.07 -9.11 10.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.738 0.304 . . . . 0.0 111.148 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 11' ' ' LEU . . . . . 0.702 ' HG ' ' HA2' ' D' ' 8' ' ' GLY . 36.3 mt -69.24 -30.26 68.35 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 107.117 -1.438 . . . . 0.0 107.117 177.039 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 12' ' ' VAL . . . . . 0.618 ' HB ' ' CZ ' ' D' ' 24' ' ' PHE . 10.7 m -68.47 -32.47 55.51 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 CA-C-N 114.525 -1.216 . . . . 0.0 109.832 177.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 13' ' ' GLU . . . . . 0.456 ' HG3' ' OG ' ' B' ' 9' ' ' SER . 29.5 tt0 -64.4 -33.89 76.9 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 179.132 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 14' ' ' ALA . . . . . 0.442 ' O ' HG23 ' D' ' 18' ' ' VAL . . . -72.5 -48.84 37.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.696 177.771 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 94.7 mt -59.13 -35.78 74.07 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.429 0.633 . . . . 0.0 109.925 178.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 16' ' ' TYR . . . . . 0.716 ' HE1' ' HA ' ' B' ' 5' ' ' HIS . 2.0 t80 -56.28 -40.7 74.69 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.727 -1.124 . . . . 0.0 110.269 179.538 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . 0.404 ' HG ' ' CB ' ' J' ' 14' ' ' ALA . 4.1 mm? -73.71 -43.61 58.75 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.098 0.475 . . . . 0.0 110.645 179.122 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . 0.442 HG23 ' O ' ' D' ' 14' ' ' ALA . 55.5 t -61.02 -45.54 98.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.351 -179.636 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 19' ' ' CYS . . . . . 0.482 ' HB3' ' HB3' ' D' ' 22' ' ' ARG . 77.2 m -82.88 -28.66 29.87 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.729 -179.352 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 20' ' ' GLY . . . . . 0.445 ' HA2' ' HE1' ' B' ' 5' ' ' HIS . . . 71.24 -136.3 24.96 Favored Glycine 0 N--CA 1.447 -0.591 0 N-CA-C 110.691 -0.963 . . . . 0.0 110.691 -178.607 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 21' ' ' GLU . . . . . 0.404 ' HB3' ' H ' ' B' ' 30' ' ' THR . 22.5 mm-40 -86.31 57.54 4.54 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 178.45 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 22' ' ' ARG . . . . . 0.482 ' HB3' ' HB3' ' D' ' 19' ' ' CYS . 30.8 ttt180 -119.39 -49.65 2.36 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.143 -178.648 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 23' ' ' GLY . . . . . 0.891 ' HA2' ' HD2' ' B' ' 28' ' ' PRO . . . 112.17 178.13 19.94 Favored Glycine 0 N--CA 1.444 -0.785 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.141 -179.144 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 24' ' ' PHE . . . . . 0.649 ' HA ' ' HB2' ' C' ' 21' ' ' ASN . 1.5 p90 -165.99 164.99 18.29 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-O 121.168 0.509 . . . . 0.0 110.93 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 25' ' ' PHE . . . . . 0.4 ' CE1' ' HA ' ' C' ' 21' ' ' ASN . 12.0 p90 -121.95 128.22 51.25 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 177.735 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 26' ' ' TYR . . . . . 0.462 ' CD2' ' HD3' ' D' ' 28' ' ' PRO . 25.3 t80 -130.75 122.28 26.94 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 -178.247 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 27' ' ' THR . . . . . 0.455 ' HA ' ' HA3' ' B' ' 23' ' ' GLY . 1.7 p -127.42 78.39 74.69 Favored Pre-proline 0 C--N 1.326 -0.425 0 N-CA-C 113.451 0.908 . . . . 0.0 113.451 -178.604 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 28' ' ' PRO . . . . . 0.921 ' HD2' ' HA2' ' B' ' 23' ' ' GLY . 86.3 Cg_endo -81.11 135.58 9.82 Favored 'Trans proline' 0 N--CA 1.461 -0.441 0 C-N-CA 122.428 2.085 . . . . 0.0 110.418 177.755 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -153.43 127.05 8.74 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.122 -0.631 . . . . 0.0 112.458 -178.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 C--O 1.246 0.91 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.165 178.319 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.724 0 N-CA-C 111.902 -0.479 . . . . 0.0 111.902 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' E' E ' 2' ' ' ILE . . . . . 0.425 ' HB ' ' CE1' ' E' ' 19' ' ' TYR . 7.4 tt -59.49 -41.55 85.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.959 0.409 . . . . 0.0 111.358 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' E' E ' 3' ' ' VAL . . . . . 0.481 HG21 ' HA ' ' F' ' 28' ' ' PRO . 37.2 t -60.9 -29.66 45.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.057 0.456 . . . . 0.0 111.119 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' E' E ' 4' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -74.94 -73.9 0.22 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.853 0.359 . . . . 0.0 111.071 179.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 5' ' ' GLN . . . . . 0.526 ' HA ' HG22 ' E' ' 8' ' ' THR . 16.2 pt20 -51.16 -43.85 61.35 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 -178.359 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' E' E ' 6' ' ' CYS . . . . . . . . . . . . . 80.1 m -73.58 -24.78 60.12 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 -178.256 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 7' ' ' CYS . . . . . 0.586 ' HB2' HD11 ' F' ' 11' ' ' LEU . 9.1 t -107.38 18.65 21.31 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.463 -0.495 . . . . 0.0 111.161 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' E' E ' 8' ' ' THR . . . . . 0.526 HG22 ' HA ' ' E' ' 5' ' ' GLN . 11.8 t -120.46 -43.45 2.5 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.237 178.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' E' E ' 9' ' ' SER . . . . . 0.45 ' O ' ' HB ' ' E' ' 10' ' ' ILE . 47.6 m -145.1 21.65 1.57 Allowed 'General case' 0 C--O 1.233 0.232 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 179.178 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' E' E ' 10' ' ' ILE . . . . . 0.939 HG13 HG12 ' J' ' 2' ' ' VAL . 57.9 mt 70.58 141.2 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 CA-C-O 121.365 0.602 . . . . 0.0 112.407 178.156 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' E' E ' 11' ' ' CYS . . . . . . . . . . . . . 93.5 m -105.37 151.07 24.64 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.382 178.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 12' ' ' SER . . . . . . . . . . . . . 37.0 t -78.93 157.55 28.2 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 178.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 13' ' ' LEU . . . . . 0.471 HD21 HD21 ' K' ' 13' ' ' LEU . 57.9 tp -52.31 -46.77 66.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.876 0.37 . . . . 0.0 111.278 -179.546 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -63.85 -31.98 73.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.775 -179.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 15' ' ' GLN . . . . . 0.524 ' O ' ' HB3' ' E' ' 18' ' ' ASN . 88.7 mt-30 -71.56 -37.25 71.09 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.021 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' E' E ' 16' ' ' LEU . . . . . . . . . . . . . 87.0 mt -69.0 -40.14 78.89 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.762 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 17' ' ' GLU . . . . . 0.459 ' HG3' ' O ' ' E' ' 13' ' ' LEU . 38.8 mt-10 -61.31 -28.35 69.14 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.036 0.446 . . . . 0.0 110.312 179.273 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' E' E ' 18' ' ' ASN . . . . . 0.524 ' HB3' ' O ' ' E' ' 15' ' ' GLN . 10.8 t30 -59.13 -30.11 67.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.894 179.23 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' E' E ' 19' ' ' TYR . . . . . 0.425 ' CE1' ' HB ' ' E' ' 2' ' ' ILE . 78.2 m-85 -93.57 -87.14 0.25 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.309 -0.405 . . . . 0.0 109.978 178.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' E' E ' 20' ' ' CYS . . . . . . . . . . . . . 17.6 t 54.98 -113.57 0.8 Allowed 'General case' 0 CA--C 1.532 0.275 0 O-C-N 123.706 0.629 . . . . 0.0 110.521 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 21' ' ' ASN . . . . . 0.617 ' HB2' ' HA ' ' F' ' 24' ' ' PHE . 14.9 t30 . . . . . 0 C--O 1.248 0.977 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 179.308 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 1' ' ' PHE . . . . . . . . . . . . . 2.5 p90 . . . . . 0 N--CA 1.481 1.097 0 CA-C-O 121.426 0.631 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' F' F ' 2' ' ' VAL . . . . . 0.949 HG12 HG13 ' A' ' 10' ' ' ILE . 16.1 m -131.04 97.79 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.888 0.852 . . . . 0.0 110.261 179.596 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' F' F ' 3' ' ' ASN . . . . . 0.552 ' O ' ' HB3' ' F' ' 7' ' ' CYS . 43.2 t30 -157.36 -52.55 0.07 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.272 -0.877 . . . . 0.0 109.111 -179.492 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' F' F ' 4' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -58.88 -38.87 79.79 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.856 0.36 . . . . 0.0 111.201 179.076 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 5' ' ' HIS . . . . . 0.718 ' HA ' ' HE1' ' H' ' 16' ' ' TYR . 8.1 t60 -77.26 -27.61 53.24 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.519 -179.252 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' F' F ' 6' ' ' LEU . . . . . 0.628 HD13 ' HB2' ' B' ' 7' ' ' CYS . 35.6 mt -88.75 -59.69 2.16 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.678 0.751 . . . . 0.0 110.631 -179.084 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' F' F ' 7' ' ' CYS . . . . . 0.626 ' HB2' HD13 ' J' ' 6' ' ' LEU . 0.0 OUTLIER -62.63 -48.23 80.3 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 114.561 -1.2 . . . . 0.0 110.956 179.717 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' F' F ' 8' ' ' GLY . . . . . 0.692 ' HA2' ' HG ' ' F' ' 11' ' ' LEU . . . -59.28 -30.03 66.96 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 121.054 -0.593 . . . . 0.0 112.621 179.687 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' F' F ' 9' ' ' SER . . . . . 0.467 ' OG ' ' HG3' ' H' ' 13' ' ' GLU . 0.3 OUTLIER -69.58 -9.64 54.87 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.975 0.416 . . . . 0.0 110.655 179.605 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' F' F ' 10' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -118.24 -8.94 10.54 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 120.754 0.311 . . . . 0.0 111.128 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 11' ' ' LEU . . . . . 0.692 ' HG ' ' HA2' ' F' ' 8' ' ' GLY . 35.7 mt -69.66 -30.27 67.92 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 107.048 -1.464 . . . . 0.0 107.048 177.051 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' F' F ' 12' ' ' VAL . . . . . 0.617 ' HB ' ' CZ ' ' F' ' 24' ' ' PHE . 10.6 m -68.42 -32.39 55.29 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.321 0 CA-C-N 114.667 -1.151 . . . . 0.0 109.756 177.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' F' F ' 13' ' ' GLU . . . . . 0.473 ' HG3' ' OG ' ' H' ' 9' ' ' SER . 29.9 tt0 -64.42 -33.55 76.12 Favored 'General case' 0 C--N 1.334 -0.092 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 179.136 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' F' F ' 14' ' ' ALA . . . . . 0.427 ' O ' HG23 ' F' ' 18' ' ' VAL . . . -72.69 -49.06 33.91 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.594 177.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' F' F ' 15' ' ' LEU . . . . . . . . . . . . . 93.8 mt -58.99 -35.64 73.56 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.949 178.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 16' ' ' TYR . . . . . 0.713 ' HE1' ' HA ' ' H' ' 5' ' ' HIS . 2.0 t80 -56.72 -40.03 74.96 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 114.861 -1.063 . . . . 0.0 110.22 179.645 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' F' F ' 17' ' ' LEU . . . . . 0.4 ' HG ' ' CB ' ' L' ' 14' ' ' ALA . 4.0 mm? -74.36 -43.57 55.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.49 179.203 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . 0.427 HG23 ' O ' ' F' ' 14' ' ' ALA . 60.7 t -60.29 -47.44 92.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.319 -179.746 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' F' F ' 19' ' ' CYS . . . . . 0.496 ' HB3' ' HB3' ' F' ' 22' ' ' ARG . 77.1 m -80.66 -30.2 36.57 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.571 -179.268 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' F' F ' 20' ' ' GLY . . . . . 0.46 ' HA2' ' HE1' ' H' ' 5' ' ' HIS . . . 72.99 -135.79 21.87 Favored Glycine 0 N--CA 1.446 -0.692 0 N-CA-C 110.535 -1.026 . . . . 0.0 110.535 -178.582 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' F' F ' 21' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -87.04 57.89 4.75 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 178.285 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 22' ' ' ARG . . . . . 0.496 ' HB3' ' HB3' ' F' ' 19' ' ' CYS . 31.7 ttt180 -119.97 -49.27 2.31 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.124 -178.63 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' F' F ' 23' ' ' GLY . . . . . 0.925 ' HA2' ' HD2' ' H' ' 28' ' ' PRO . . . 111.69 178.33 20.14 Favored Glycine 0 N--CA 1.444 -0.823 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.084 -179.137 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' F' F ' 24' ' ' PHE . . . . . 0.617 ' HA ' ' HB2' ' E' ' 21' ' ' ASN . 1.6 p90 -166.07 165.2 17.99 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-O 121.179 0.514 . . . . 0.0 110.913 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' F' F ' 25' ' ' PHE . . . . . 0.402 ' CE1' ' HA ' ' E' ' 21' ' ' ASN . 11.7 p90 -122.2 127.54 50.12 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 177.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' F' F ' 26' ' ' TYR . . . . . 0.478 ' CD2' ' HD3' ' F' ' 28' ' ' PRO . 24.7 t80 -130.02 122.32 28.18 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 -178.459 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' F' F ' 27' ' ' THR . . . . . 0.459 ' HA ' ' HA3' ' H' ' 23' ' ' GLY . 1.2 p -127.79 78.05 75.52 Favored Pre-proline 0 C--N 1.325 -0.481 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -178.375 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' F' F ' 28' ' ' PRO . . . . . 0.916 ' HD2' ' HA2' ' H' ' 23' ' ' GLY . 88.1 Cg_endo -80.54 136.88 11.25 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.531 2.154 . . . . 0.0 110.373 177.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' F' F ' 29' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -154.77 127.97 8.35 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.232 -0.587 . . . . 0.0 112.245 -179.092 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 30' ' ' THR . . . . . . . . . . . . . 1.6 p . . . . . 0 C--O 1.243 0.758 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 177.802 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' G' G ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.678 0 N-CA-C 111.875 -0.49 . . . . 0.0 111.875 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' G' G ' 2' ' ' ILE . . . . . . . . . . . . . 7.6 tt -58.58 -41.06 80.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 121.142 0.496 . . . . 0.0 111.792 -179.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' G' G ' 3' ' ' VAL . . . . . 0.5 HG21 ' HA ' ' H' ' 28' ' ' PRO . 39.8 t -62.01 -28.31 44.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.238 -179.748 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' G' G ' 4' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -76.3 -73.5 0.27 Allowed 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 120.742 0.306 . . . . 0.0 110.992 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' G' G ' 5' ' ' GLN . . . . . 0.515 ' HA ' HG22 ' G' ' 8' ' ' THR . 16.3 pt20 -50.86 -45.0 59.68 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 113.353 0.871 . . . . 0.0 113.353 -178.232 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' G' G ' 6' ' ' CYS . . . . . . . . . . . . . 83.4 m -72.56 -23.77 61.02 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 -178.044 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' G' G ' 7' ' ' CYS . . . . . 0.563 ' HB2' HD11 ' H' ' 11' ' ' LEU . 8.9 t -108.19 17.0 22.76 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.068 0.461 . . . . 0.0 110.946 -179.732 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' G' G ' 8' ' ' THR . . . . . 0.515 HG22 ' HA ' ' G' ' 5' ' ' GLN . 13.8 t -118.75 -43.82 2.66 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.336 178.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' G' G ' 9' ' ' SER . . . . . 0.439 ' O ' ' HB ' ' G' ' 10' ' ' ILE . 71.5 m -144.53 21.39 1.68 Allowed 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 179.523 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' G' G ' 10' ' ' ILE . . . . . 0.93 HG13 HG12 ' D' ' 2' ' ' VAL . 58.2 mt 70.77 140.93 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 CA-C-O 121.346 0.593 . . . . 0.0 112.174 178.309 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' G' G ' 11' ' ' CYS . . . . . . . . . . . . . 93.6 m -105.85 150.63 25.42 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.423 178.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' G' G ' 12' ' ' SER . . . . . . . . . . . . . 39.6 t -78.18 157.53 29.35 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.323 178.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' G' G ' 13' ' ' LEU . . . . . 0.477 HD21 HD21 ' A' ' 13' ' ' LEU . 58.3 tp -52.47 -47.22 66.63 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 122.694 0.398 . . . . 0.0 111.441 -179.665 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -63.69 -33.39 75.54 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.423 -179.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' G' G ' 15' ' ' GLN . . . . . 0.518 ' O ' ' HB3' ' G' ' 18' ' ' ASN . 87.6 mt-30 -70.05 -37.31 75.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.891 0.377 . . . . 0.0 110.051 178.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' G' G ' 16' ' ' LEU . . . . . . . . . . . . . 86.9 mt -69.04 -39.01 79.44 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.685 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' G' G ' 17' ' ' GLU . . . . . 0.466 ' HG3' ' O ' ' G' ' 13' ' ' LEU . 38.0 mt-10 -62.39 -27.74 69.29 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.349 179.416 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' G' G ' 18' ' ' ASN . . . . . 0.518 ' HB3' ' O ' ' G' ' 15' ' ' GLN . 10.1 t30 -60.21 -29.34 68.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.537 179.461 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' G' G ' 19' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -94.05 -86.54 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.096 178.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' G' G ' 20' ' ' CYS . . . . . . . . . . . . . 16.8 t 54.07 -113.81 0.81 Allowed 'General case' 0 CA--C 1.533 0.312 0 O-C-N 123.599 0.562 . . . . 0.0 110.859 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' G' G ' 21' ' ' ASN . . . . . 0.653 ' HB2' ' HA ' ' H' ' 24' ' ' PHE . 12.7 t30 . . . . . 0 C--O 1.247 0.963 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 179.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' H' H ' 1' ' ' PHE . . . . . . . . . . . . . 2.4 p90 . . . . . 0 N--CA 1.479 1.013 0 CA-C-O 121.527 0.68 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' H' H ' 2' ' ' VAL . . . . . 0.957 HG12 HG13 ' K' ' 10' ' ' ILE . 16.4 m -129.48 97.16 3.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.801 0.81 . . . . 0.0 110.47 179.683 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' H' H ' 3' ' ' ASN . . . . . 0.545 ' O ' ' HB3' ' H' ' 7' ' ' CYS . 42.2 t30 -156.6 -52.82 0.08 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.467 -0.788 . . . . 0.0 108.975 -179.768 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' H' H ' 4' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -58.49 -38.66 78.11 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.895 0.379 . . . . 0.0 111.26 179.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' H' H ' 5' ' ' HIS . . . . . 0.713 ' HA ' ' HE1' ' F' ' 16' ' ' TYR . 7.8 t60 -77.66 -26.78 50.63 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.764 -179.258 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' H' H ' 6' ' ' LEU . . . . . 0.622 HD13 ' HB2' ' L' ' 7' ' ' CYS . 34.6 mt -89.54 -59.36 2.23 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.635 0.731 . . . . 0.0 110.55 -179.162 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' H' H ' 7' ' ' CYS . . . . . 0.636 ' HB2' HD13 ' D' ' 6' ' ' LEU . 0.0 OUTLIER -62.98 -48.04 80.56 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.5 -1.227 . . . . 0.0 110.889 179.889 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' H' H ' 8' ' ' GLY . . . . . 0.718 ' HA2' ' HG ' ' H' ' 11' ' ' LEU . . . -59.7 -29.69 67.62 Favored Glycine 0 C--N 1.331 0.282 0 C-N-CA 121.07 -0.586 . . . . 0.0 112.63 179.716 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' H' H ' 9' ' ' SER . . . . . 0.473 ' OG ' ' HG3' ' F' ' 13' ' ' GLU . 0.3 OUTLIER -69.71 -9.77 55.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.972 0.415 . . . . 0.0 110.556 179.551 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' H' H ' 10' ' ' HIS . . . . . . . . . . . . . 87.2 m-70 -118.04 -9.42 10.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.129 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' H' H ' 11' ' ' LEU . . . . . 0.718 ' HG ' ' HA2' ' H' ' 8' ' ' GLY . 35.2 mt -69.06 -30.05 68.3 Favored 'General case' 0 CA--C 1.519 -0.245 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 177.124 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' H' H ' 12' ' ' VAL . . . . . 0.622 ' HB ' ' CZ ' ' H' ' 24' ' ' PHE . 10.9 m -68.57 -32.53 55.6 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 CA-C-N 114.599 -1.182 . . . . 0.0 109.795 177.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' H' H ' 13' ' ' GLU . . . . . 0.467 ' HG3' ' OG ' ' F' ' 9' ' ' SER . 29.5 tt0 -64.22 -33.92 76.91 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 179.119 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' H' H ' 14' ' ' ALA . . . . . 0.433 ' O ' HG23 ' H' ' 18' ' ' VAL . . . -72.52 -49.0 35.86 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.509 -0.768 . . . . 0.0 109.654 177.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' H' H ' 15' ' ' LEU . . . . . . . . . . . . . 95.5 mt -58.98 -35.58 73.44 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.41 0.624 . . . . 0.0 110.032 178.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' H' H ' 16' ' ' TYR . . . . . 0.718 ' HE1' ' HA ' ' F' ' 5' ' ' HIS . 2.1 t80 -56.85 -40.24 75.73 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.787 -1.097 . . . . 0.0 110.286 179.711 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -74.19 -43.11 58.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.506 179.183 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . 0.433 HG23 ' O ' ' H' ' 14' ' ' ALA . 58.0 t -61.31 -46.67 96.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.237 -179.667 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' H' H ' 19' ' ' CYS . . . . . 0.501 ' HB3' ' HB3' ' H' ' 22' ' ' ARG . 76.9 m -80.91 -30.64 35.38 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.614 -179.373 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' H' H ' 20' ' ' GLY . . . . . 0.422 ' HA2' ' HE1' ' F' ' 5' ' ' HIS . . . 73.49 -135.79 21.28 Favored Glycine 0 N--CA 1.447 -0.587 0 N-CA-C 110.598 -1.001 . . . . 0.0 110.598 -178.566 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' H' H ' 21' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -86.96 56.89 4.21 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 178.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' H' H ' 22' ' ' ARG . . . . . 0.501 ' HB3' ' HB3' ' H' ' 19' ' ' CYS . 31.9 ttt180 -118.72 -50.59 2.4 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.91 -1.041 . . . . 0.0 110.057 -178.701 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' H' H ' 23' ' ' GLY . . . . . 0.916 ' HA2' ' HD2' ' F' ' 28' ' ' PRO . . . 112.98 179.01 19.54 Favored Glycine 0 N--CA 1.443 -0.853 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.066 -179.216 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' H' H ' 24' ' ' PHE . . . . . 0.653 ' HA ' ' HB2' ' G' ' 21' ' ' ASN . 1.6 p90 -166.11 166.2 17.25 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 121.076 0.465 . . . . 0.0 111.032 179.654 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' H' H ' 25' ' ' PHE . . . . . . . . . . . . . 10.8 p90 -122.99 128.57 50.38 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 177.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' H' H ' 26' ' ' TYR . . . . . 0.452 ' CD2' ' HD3' ' H' ' 28' ' ' PRO . 26.0 t80 -131.43 121.09 23.98 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 121.067 -0.253 . . . . 0.0 110.332 -178.252 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' H' H ' 27' ' ' THR . . . . . 0.453 ' HA ' ' HA3' ' F' ' 23' ' ' GLY . 1.4 p -126.4 79.07 71.14 Favored Pre-proline 0 C--N 1.327 -0.411 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 -178.718 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' H' H ' 28' ' ' PRO . . . . . 0.925 ' HD2' ' HA2' ' F' ' 23' ' ' GLY . 91.1 Cg_endo -81.1 136.17 10.14 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 122.481 2.121 . . . . 0.0 110.179 177.743 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' H' H ' 29' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -154.45 126.27 7.63 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.137 -0.625 . . . . 0.0 112.415 -178.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' H' H ' 30' ' ' THR . . . . . . . . . . . . . 1.4 p . . . . . 0 C--O 1.247 0.924 0 CA-C-N 115.241 -0.89 . . . . 0.0 108.655 177.912 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' I' I ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.826 0 N-CA-C 111.607 -0.597 . . . . 0.0 111.607 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' I' I ' 2' ' ' ILE . . . . . 0.432 ' HB ' ' CE1' ' I' ' 19' ' ' TYR . 6.9 tt -59.27 -41.15 83.16 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 CA-C-O 120.8 0.333 . . . . 0.0 111.673 -179.695 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' I' I ' 3' ' ' VAL . . . . . 0.489 HG21 ' HA ' ' J' ' 28' ' ' PRO . 39.1 t -61.12 -30.18 47.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 120.972 0.415 . . . . 0.0 111.401 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' I' I ' 4' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -74.63 -73.78 0.22 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.24 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' I' I ' 5' ' ' GLN . . . . . 0.52 ' HA ' HG22 ' I' ' 8' ' ' THR . 16.2 pt20 -51.04 -43.4 60.92 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -178.191 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' I' I ' 6' ' ' CYS . . . . . . . . . . . . . 80.5 m -73.98 -23.88 59.53 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 -178.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' I' I ' 7' ' ' CYS . . . . . 0.573 ' HB2' HD11 ' J' ' 11' ' ' LEU . 9.0 t -108.25 18.25 21.29 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.428 -0.509 . . . . 0.0 111.034 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' I' I ' 8' ' ' THR . . . . . 0.52 HG22 ' HA ' ' I' ' 5' ' ' GLN . 14.4 t -119.47 -44.38 2.56 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.416 178.588 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' I' I ' 9' ' ' SER . . . . . 0.436 ' O ' ' HB ' ' I' ' 10' ' ' ILE . 57.7 m -144.31 21.99 1.7 Allowed 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 179.262 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' I' I ' 10' ' ' ILE . . . . . 0.976 HG13 HG12 ' B' ' 2' ' ' VAL . 54.6 mt 70.09 140.5 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 CA-C-O 121.223 0.535 . . . . 0.0 112.395 178.17 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' I' I ' 11' ' ' CYS . . . . . . . . . . . . . 97.6 m -105.14 149.65 25.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.693 178.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' I' I ' 12' ' ' SER . . . . . . . . . . . . . 33.4 t -77.54 157.47 30.34 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.551 -0.536 . . . . 0.0 109.551 179.009 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' I' I ' 13' ' ' LEU . . . . . 0.464 HD21 HD21 ' C' ' 13' ' ' LEU . 58.1 tp -52.13 -47.06 65.55 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 123.33 0.394 . . . . 0.0 111.377 -179.572 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -62.97 -34.41 77.46 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.561 -179.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' I' I ' 15' ' ' GLN . . . . . 0.532 ' O ' ' HB3' ' I' ' 18' ' ' ASN . 87.9 mt-30 -69.08 -38.38 78.96 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 178.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' I' I ' 16' ' ' LEU . . . . . . . . . . . . . 86.1 mt -68.14 -39.32 82.71 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.991 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' I' I ' 17' ' ' GLU . . . . . 0.459 ' HG3' ' O ' ' I' ' 13' ' ' LEU . 37.1 mt-10 -62.2 -26.72 68.51 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.083 0.468 . . . . 0.0 110.313 179.367 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' I' I ' 18' ' ' ASN . . . . . 0.532 ' HB3' ' O ' ' I' ' 15' ' ' GLN . 9.6 t30 -61.41 -29.45 69.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.601 179.644 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' I' I ' 19' ' ' TYR . . . . . 0.432 ' CE1' ' HB ' ' I' ' 2' ' ' ILE . 77.9 m-85 -93.87 -86.18 0.27 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.358 -0.383 . . . . 0.0 109.996 179.036 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' I' I ' 20' ' ' CYS . . . . . . . . . . . . . 16.0 t 54.1 -113.54 0.79 Allowed 'General case' 0 CA--C 1.534 0.33 0 O-C-N 123.609 0.568 . . . . 0.0 110.672 179.614 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' I' I ' 21' ' ' ASN . . . . . 0.629 ' HB2' ' HA ' ' J' ' 24' ' ' PHE . 15.6 t30 . . . . . 0 C--O 1.246 0.885 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 179.175 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' J' J ' 1' ' ' PHE . . . . . . . . . . . . . 2.4 p90 . . . . . 0 N--CA 1.48 1.025 0 CA-C-O 121.36 0.6 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' J' J ' 2' ' ' VAL . . . . . 0.939 HG12 HG13 ' E' ' 10' ' ' ILE . 16.0 m -131.81 97.15 2.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.878 0.847 . . . . 0.0 110.327 179.45 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' J' J ' 3' ' ' ASN . . . . . 0.558 ' O ' ' HB3' ' J' ' 7' ' ' CYS . 41.6 t30 -156.83 -51.95 0.08 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.109 -179.526 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' J' J ' 4' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -59.22 -38.78 80.78 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.137 179.081 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' J' J ' 5' ' ' HIS . . . . . 0.73 ' HA ' ' HE1' ' L' ' 16' ' ' TYR . 8.4 t60 -77.51 -27.48 51.77 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.49 -179.409 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' J' J ' 6' ' ' LEU . . . . . 0.626 HD13 ' HB2' ' F' ' 7' ' ' CYS . 35.2 mt -88.95 -59.15 2.3 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.647 0.736 . . . . 0.0 110.773 -178.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' J' J ' 7' ' ' CYS . . . . . 0.632 ' HB2' HD13 ' B' ' 6' ' ' LEU . 0.0 OUTLIER -63.44 -47.54 81.45 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 114.601 -1.181 . . . . 0.0 110.954 179.718 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' J' J ' 8' ' ' GLY . . . . . 0.693 ' HA2' ' HG ' ' J' ' 11' ' ' LEU . . . -59.46 -30.46 68.3 Favored Glycine 0 C--N 1.33 0.24 0 C-N-CA 121.079 -0.581 . . . . 0.0 112.443 179.576 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' J' J ' 9' ' ' SER . . . . . 0.474 ' OG ' ' HG3' ' L' ' 13' ' ' GLU . 0.3 OUTLIER -69.25 -9.87 55.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.871 0.367 . . . . 0.0 110.757 179.675 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' J' J ' 10' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -117.96 -9.41 10.6 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.149 179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' J' J ' 11' ' ' LEU . . . . . 0.693 ' HG ' ' HA2' ' J' ' 8' ' ' GLY . 34.9 mt -69.18 -29.82 67.88 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 177.046 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' J' J ' 12' ' ' VAL . . . . . 0.62 ' HB ' ' CZ ' ' J' ' 24' ' ' PHE . 11.1 m -68.74 -32.5 55.18 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 CA-C-N 114.701 -1.136 . . . . 0.0 109.774 177.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' J' J ' 13' ' ' GLU . . . . . 0.472 ' HG3' ' OG ' ' L' ' 9' ' ' SER . 29.9 tt0 -64.32 -33.88 76.86 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 179.272 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' J' J ' 14' ' ' ALA . . . . . 0.428 ' O ' HG23 ' J' ' 18' ' ' VAL . . . -72.33 -48.86 38.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.832 177.76 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' J' J ' 15' ' ' LEU . . . . . . . . . . . . . 93.9 mt -59.16 -35.89 74.32 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.463 0.649 . . . . 0.0 109.905 178.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' J' J ' 16' ' ' TYR . . . . . 0.716 ' HE1' ' HA ' ' L' ' 5' ' ' HIS . 2.1 t80 -56.38 -40.27 74.3 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.681 -1.145 . . . . 0.0 110.302 179.623 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' J' J ' 17' ' ' LEU . . . . . 0.413 ' HG ' ' CB ' ' D' ' 14' ' ' ALA . 4.1 mm? -74.36 -43.88 54.69 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.396 179.179 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' J' J ' 18' ' ' VAL . . . . . 0.428 HG23 ' O ' ' J' ' 14' ' ' ALA . 57.5 t -59.98 -48.1 89.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.158 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' J' J ' 19' ' ' CYS . . . . . 0.497 ' HB3' ' HB3' ' J' ' 22' ' ' ARG . 79.0 m -79.43 -32.22 42.77 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.772 -179.428 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' J' J ' 20' ' ' GLY . . . . . 0.423 ' HA2' ' HE1' ' L' ' 5' ' ' HIS . . . 74.72 -136.15 20.39 Favored Glycine 0 N--CA 1.448 -0.551 0 N-CA-C 110.372 -1.091 . . . . 0.0 110.372 -178.626 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' J' J ' 21' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -86.93 57.99 4.82 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 178.352 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' J' J ' 22' ' ' ARG . . . . . 0.497 ' HB3' ' HB3' ' J' ' 19' ' ' CYS . 31.9 ttt180 -119.7 -49.13 2.35 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.105 -178.536 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' J' J ' 23' ' ' GLY . . . . . 0.899 ' HA2' ' HD2' ' L' ' 28' ' ' PRO . . . 111.81 178.87 20.06 Favored Glycine 0 N--CA 1.444 -0.776 0 CA-C-N 115.164 -0.925 . . . . 0.0 111.126 -178.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' J' J ' 24' ' ' PHE . . . . . 0.629 ' HA ' ' HB2' ' I' ' 21' ' ' ASN . 1.5 p90 -166.79 164.86 16.53 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-O 121.127 0.489 . . . . 0.0 110.956 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' J' J ' 25' ' ' PHE . . . . . . . . . . . . . 11.6 p90 -121.99 127.53 50.42 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 177.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' J' J ' 26' ' ' TYR . . . . . 0.477 ' CD2' ' HD3' ' J' ' 28' ' ' PRO . 24.8 t80 -130.3 121.23 25.67 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.489 -178.36 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' J' J ' 27' ' ' THR . . . . . 0.432 ' HA ' ' HA3' ' L' ' 23' ' ' GLY . 1.4 p -126.55 78.34 72.46 Favored Pre-proline 0 CA--C 1.537 0.471 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 -178.474 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' J' J ' 28' ' ' PRO . . . . . 0.918 ' HD2' ' HA2' ' L' ' 23' ' ' GLY . 89.6 Cg_endo -80.91 135.89 10.22 Favored 'Trans proline' 0 N--CA 1.46 -0.452 0 C-N-CA 122.276 1.984 . . . . 0.0 110.28 177.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' J' J ' 29' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -153.6 127.78 9.08 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.294 -0.562 . . . . 0.0 112.263 -178.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' J' J ' 30' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 C--O 1.247 0.962 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 178.145 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.948 0 N-CA-C 112.278 -0.329 . . . . 0.0 112.278 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' K' K ' 2' ' ' ILE . . . . . 0.438 ' HB ' ' CE1' ' K' ' 19' ' ' TYR . 7.0 tt -59.17 -41.34 83.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.108 0.48 . . . . 0.0 111.517 -179.568 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' K' K ' 3' ' ' VAL . . . . . 0.479 HG21 ' HA ' ' L' ' 28' ' ' PRO . 40.3 t -60.92 -30.71 48.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.212 -179.518 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' K' K ' 4' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -74.56 -73.1 0.25 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.536 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' K' K ' 5' ' ' GLN . . . . . 0.526 ' HA ' HG22 ' K' ' 8' ' ' THR . 15.9 pt20 -51.28 -43.48 61.6 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 -178.063 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' K' K ' 6' ' ' CYS . . . . . . . . . . . . . 79.0 m -73.56 -24.82 60.15 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 -178.115 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' K' K ' 7' ' ' CYS . . . . . 0.556 ' HB2' HD11 ' L' ' 11' ' ' LEU . 9.0 t -107.43 18.24 21.79 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.514 -0.474 . . . . 0.0 111.118 -179.772 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' K' K ' 8' ' ' THR . . . . . 0.526 HG22 ' HA ' ' K' ' 5' ' ' GLN . 14.2 t -119.75 -44.06 2.55 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 120.581 -0.448 . . . . 0.0 110.195 178.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' K' K ' 9' ' ' SER . . . . . 0.453 ' O ' ' HB ' ' K' ' 10' ' ' ILE . 62.3 m -144.17 21.25 1.74 Allowed 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 179.448 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' K' K ' 10' ' ' ILE . . . . . 0.957 HG13 HG12 ' H' ' 2' ' ' VAL . 55.9 mt 70.77 140.62 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 CA-C-O 121.247 0.546 . . . . 0.0 112.294 178.278 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' K' K ' 11' ' ' CYS . . . . . . . . . . . . . 94.9 m -105.31 150.32 25.28 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.643 178.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' K' K ' 12' ' ' SER . . . . . . . . . . . . . 33.3 t -77.68 157.78 29.99 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 178.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' K' K ' 13' ' ' LEU . . . . . 0.471 HD21 HD21 ' E' ' 13' ' ' LEU . 58.2 tp -52.63 -46.77 67.23 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.932 0.396 . . . . 0.0 111.312 -179.811 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -64.15 -31.97 73.37 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.582 -179.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' K' K ' 15' ' ' GLN . . . . . 0.506 ' O ' ' HB3' ' K' ' 18' ' ' ASN . 87.3 mt-30 -71.65 -36.46 70.71 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.943 0.401 . . . . 0.0 110.048 179.054 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' K' K ' 16' ' ' LEU . . . . . . . . . . . . . 87.8 mt -69.71 -39.4 76.88 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.734 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' K' K ' 17' ' ' GLU . . . . . 0.451 ' HG3' ' O ' ' K' ' 13' ' ' LEU . 40.9 mt-10 -61.95 -27.59 68.94 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 121.098 0.475 . . . . 0.0 110.415 179.19 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' K' K ' 18' ' ' ASN . . . . . 0.506 ' HB3' ' O ' ' K' ' 15' ' ' GLN . 9.5 t30 -60.36 -28.62 68.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.404 -0.817 . . . . 0.0 110.674 179.546 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' K' K ' 19' ' ' TYR . . . . . 0.438 ' CE1' ' HB ' ' K' ' 2' ' ' ILE . 83.0 m-85 -94.9 -86.39 0.29 Allowed 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 178.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' K' K ' 20' ' ' CYS . . . . . . . . . . . . . 16.2 t 54.32 -113.35 0.78 Allowed 'General case' 0 CA--C 1.533 0.321 0 O-C-N 123.764 0.665 . . . . 0.0 110.496 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' K' K ' 21' ' ' ASN . . . . . 0.617 ' HB2' ' HA ' ' L' ' 24' ' ' PHE . 15.0 t30 . . . . . 0 C--O 1.244 0.801 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 179.159 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' L' L ' 1' ' ' PHE . . . . . . . . . . . . . 2.2 p90 . . . . . 0 N--CA 1.48 1.065 0 CA-C-O 121.376 0.608 . . . . 0.0 111.248 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' L' L ' 2' ' ' VAL . . . . . 0.936 HG12 HG13 ' C' ' 10' ' ' ILE . 15.8 m -131.22 95.8 2.45 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 CA-C-O 121.775 0.798 . . . . 0.0 110.459 179.529 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' L' L ' 3' ' ' ASN . . . . . 0.55 ' O ' ' HB3' ' L' ' 7' ' ' CYS . 41.9 t30 -155.41 -52.22 0.09 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.088 -179.634 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' L' L ' 4' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -58.88 -38.71 79.46 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.222 179.173 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' L' L ' 5' ' ' HIS . . . . . 0.716 ' HA ' ' HE1' ' J' ' 16' ' ' TYR . 7.8 t60 -77.39 -27.28 52.41 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.589 -179.428 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' L' L ' 6' ' ' LEU . . . . . 0.633 HD13 ' HB2' ' D' ' 7' ' ' CYS . 35.0 mt -89.2 -59.49 2.2 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.762 0.791 . . . . 0.0 110.627 -178.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' L' L ' 7' ' ' CYS . . . . . 0.622 ' HB2' HD13 ' H' ' 6' ' ' LEU . 0.0 OUTLIER -62.92 -48.16 80.12 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 114.533 -1.212 . . . . 0.0 110.874 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' L' L ' 8' ' ' GLY . . . . . 0.706 ' HA2' ' HG ' ' L' ' 11' ' ' LEU . . . -59.33 -30.19 67.38 Favored Glycine 0 C--N 1.331 0.283 0 C-N-CA 120.936 -0.649 . . . . 0.0 112.748 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' L' L ' 9' ' ' SER . . . . . 0.472 ' OG ' ' HG3' ' J' ' 13' ' ' GLU . 0.3 OUTLIER -69.31 -9.86 55.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.977 0.417 . . . . 0.0 110.686 179.584 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' L' L ' 10' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -118.17 -9.1 10.55 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.177 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' L' L ' 11' ' ' LEU . . . . . 0.706 ' HG ' ' HA2' ' L' ' 8' ' ' GLY . 36.3 mt -69.4 -30.16 68.06 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 107.041 -1.466 . . . . 0.0 107.041 177.129 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' L' L ' 12' ' ' VAL . . . . . 0.631 ' HB ' ' CZ ' ' L' ' 24' ' ' PHE . 11.0 m -68.51 -32.58 55.91 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.388 0 CA-C-N 114.484 -1.234 . . . . 0.0 109.815 177.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' L' L ' 13' ' ' GLU . . . . . 0.474 ' HG3' ' OG ' ' J' ' 9' ' ' SER . 30.1 tt0 -64.35 -33.86 76.82 Favored 'General case' 0 C--O 1.232 0.154 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 179.094 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' L' L ' 14' ' ' ALA . . . . . 0.426 ' O ' HG23 ' L' ' 18' ' ' VAL . . . -72.34 -49.23 35.84 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.642 177.8 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' L' L ' 15' ' ' LEU . . . . . . . . . . . . . 96.4 mt -58.67 -36.26 73.88 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.925 178.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' L' L ' 16' ' ' TYR . . . . . 0.73 ' HE1' ' HA ' ' J' ' 5' ' ' HIS . 2.1 t80 -55.98 -41.19 74.39 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.766 -1.107 . . . . 0.0 110.298 179.645 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' L' L ' 17' ' ' LEU . . . . . 0.409 ' HG ' ' CB ' ' F' ' 14' ' ' ALA . 4.0 mm? -73.09 -43.92 61.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.594 179.091 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' L' L ' 18' ' ' VAL . . . . . 0.426 HG23 ' O ' ' L' ' 14' ' ' ALA . 55.5 t -60.32 -48.01 89.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.257 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' L' L ' 19' ' ' CYS . . . . . 0.489 ' HB3' ' HB3' ' L' ' 22' ' ' ARG . 77.6 m -79.43 -32.06 42.73 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.712 -179.365 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' L' L ' 20' ' ' GLY . . . . . 0.404 ' HA2' ' HE1' ' J' ' 5' ' ' HIS . . . 74.98 -135.12 18.34 Favored Glycine 0 N--CA 1.45 -0.432 0 N-CA-C 110.62 -0.992 . . . . 0.0 110.62 -178.717 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' L' L ' 21' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -87.7 56.4 3.89 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 178.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' L' L ' 22' ' ' ARG . . . . . 0.489 ' HB3' ' HB3' ' L' ' 19' ' ' CYS . 32.4 ttt180 -118.46 -49.24 2.47 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.995 -1.002 . . . . 0.0 110.234 -178.651 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' L' L ' 23' ' ' GLY . . . . . 0.918 ' HA2' ' HD2' ' J' ' 28' ' ' PRO . . . 112.12 179.18 19.87 Favored Glycine 0 N--CA 1.443 -0.859 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.289 -179.041 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' L' L ' 24' ' ' PHE . . . . . 0.631 ' CZ ' ' HB ' ' L' ' 12' ' ' VAL . 1.6 p90 -167.08 164.64 15.84 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-O 121.012 0.434 . . . . 0.0 111.047 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' L' L ' 25' ' ' PHE . . . . . 0.401 ' CE1' ' HA ' ' K' ' 21' ' ' ASN . 12.8 p90 -121.87 128.82 52.04 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 177.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' L' L ' 26' ' ' TYR . . . . . 0.479 ' CD2' ' HD3' ' L' ' 28' ' ' PRO . 25.3 t80 -131.6 121.31 24.16 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.526 -0.307 . . . . 0.0 110.267 -178.309 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' L' L ' 27' ' ' THR . . . . . 0.447 ' HA ' ' HA3' ' J' ' 23' ' ' GLY . 1.6 p -126.79 78.48 73.28 Favored Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -178.472 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' L' L ' 28' ' ' PRO . . . . . 0.899 ' HD2' ' HA2' ' J' ' 23' ' ' GLY . 83.1 Cg_endo -81.09 135.54 9.82 Favored 'Trans proline' 0 N--CA 1.459 -0.525 0 C-N-CA 122.612 2.208 . . . . 0.0 110.147 177.614 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' L' L ' 29' ' ' LYS . . . . . . . . . . . . . 88.0 tttt . . . . . 0 C--N 1.323 -0.545 0 C-N-CA 120.198 -0.601 . . . . 0.0 112.378 -178.871 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . 0.456 ' HA3' ' O ' ' B' ' 29' ' ' LYS . . . . . . . . 0 N--CA 1.486 1.992 0 N-CA-C 112.739 -0.145 . . . . 0.0 112.739 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 5.1 tt -49.82 -43.21 19.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.579 HG11 ' HG3' ' B' ' 4' ' ' GLN . 21.8 t -53.03 -55.17 13.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.704 -179.475 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -62.05 -42.37 99.11 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.689 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -57.14 -42.5 81.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.304 0.574 . . . . 0.0 111.104 179.143 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.422 ' HB2' HD13 ' B' ' 11' ' ' LEU . 82.6 m -88.63 2.35 53.33 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.366 -179.229 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 9.9 t -112.82 -20.03 11.77 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.811 0.338 . . . . 0.0 111.257 -179.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.6 t -75.93 -23.18 55.45 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.638 -179.146 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.1 t -163.01 12.69 0.06 Allowed 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.967 -0.293 . . . . 0.0 111.24 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.413 ' HA ' ' O ' ' A' ' 6' ' ' CYS . 2.4 mp 65.14 118.47 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 CA-C-O 121.417 0.627 . . . . 0.0 111.191 -179.736 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 64.2 m -71.59 141.79 50.02 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.672 179.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.0 t -80.64 166.38 21.14 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 177.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.6 mp -61.01 -33.34 73.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.119 0.485 . . . . 0.0 110.102 179.449 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -68.33 -18.42 64.49 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.156 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -94.13 -40.16 10.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.925 0.393 . . . . 0.0 110.39 179.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 83.3 mt -66.08 -31.84 72.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.615 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.21 -30.32 64.47 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.356 179.573 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -61.41 -23.49 65.85 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.104 179.354 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -109.16 8.78 26.07 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.701 -177.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.9 t -78.61 151.93 32.08 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.762 0.315 . . . . 0.0 110.92 -179.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.351 -0.833 . . . . 0.0 110.674 -179.517 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . 0.403 ' O ' ' HB3' ' B' ' 4' ' ' GLN . 53.2 t80 . . . . . 0 N--CA 1.478 0.952 0 N-CA-C 111.64 0.237 . . . . 0.0 111.64 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . 0.49 ' O ' ' HG ' ' B' ' 6' ' ' LEU . 16.9 m -72.87 -39.6 59.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 120.451 -0.5 . . . . 0.0 111.519 -178.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . 0.56 ' O ' ' HB3' ' B' ' 7' ' ' CYS . 30.6 m-20 -72.95 -4.76 34.17 Favored 'General case' 0 C--O 1.219 -0.545 0 CA-C-O 121.337 0.589 . . . . 0.0 109.983 178.75 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . 0.579 ' HG3' HG11 ' A' ' 3' ' ' VAL . 27.9 tt0 -71.57 -17.33 62.31 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 177.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . 0.45 ' HA ' ' HE2' ' D' ' 16' ' ' TYR . 33.8 t60 -113.83 -2.27 13.69 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.989 178.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' B' ' 2' ' ' VAL . 7.6 mt -114.08 -40.32 3.73 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.421 0.629 . . . . 0.0 110.017 -179.378 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . 0.56 ' HB3' ' O ' ' B' ' 3' ' ' ASN . 0.5 OUTLIER -88.02 -33.33 18.4 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 177.683 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -61.81 -26.66 67.3 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.517 -0.765 . . . . 0.0 112.645 178.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.89 10.03 3.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.868 0.366 . . . . 0.0 111.693 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 38.8 m-70 -113.56 -39.42 4.07 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.417 0.627 . . . . 0.0 109.319 178.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.422 HD13 ' HB2' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -64.72 -25.24 67.85 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.076 179.177 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 5.9 m -60.87 -49.33 85.06 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -179.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.86 ' HA ' ' HE1' ' B' ' 16' ' ' TYR . 64.4 tt0 -66.35 -33.66 76.22 Favored 'General case' 0 CA--C 1.52 -0.178 0 C-N-CA 120.424 -0.51 . . . . 0.0 110.448 -179.428 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.11 -39.81 78.73 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 179.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 11.9 mt -57.46 -54.9 41.57 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.965 -0.561 . . . . 0.0 112.236 -179.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . 0.934 ' HB2' ' HG3' ' D' ' 28' ' ' PRO . 3.8 p90 -79.64 3.35 19.34 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 119.68 -0.808 . . . . 0.0 111.154 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.575 ' HB2' ' O ' ' B' ' 13' ' ' GLU . 5.3 tt -88.32 -44.6 10.68 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 177.581 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 90.5 t -64.85 -40.63 89.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.732 178.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . 0.817 ' HB3' ' HB2' ' B' ' 22' ' ' ARG . 97.1 m -77.8 -21.52 51.5 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.039 179.607 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 70.24 -100.56 0.8 Allowed Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.235 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -98.21 -0.69 43.67 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.437 0.637 . . . . 0.0 109.767 179.277 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . 0.817 ' HB2' ' HB3' ' B' ' 19' ' ' CYS . 43.5 mtp85 -86.07 151.48 23.66 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.365 178.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . 0.744 ' HA2' ' HD2' ' D' ' 28' ' ' PRO . . . -89.57 -167.39 42.53 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.328 -0.939 . . . . 0.0 112.438 -179.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' PHE . . . . . 0.746 ' CE1' ' HB3' ' B' ' 16' ' ' TYR . 18.7 p90 -168.16 170.65 10.07 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-O 121.23 0.538 . . . . 0.0 110.939 179.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' PHE . . . . . 0.547 ' HD1' ' HD1' ' D' ' 25' ' ' PHE . 40.1 m-85 -109.92 135.0 51.47 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.185 179.382 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 21.2 t80 -132.77 122.27 24.27 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.464 -179.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' THR . . . . . 0.561 HG22 ' HA3' ' D' ' 23' ' ' GLY . 1.7 p -128.83 99.36 22.69 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.5 -179.438 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . 0.927 ' HG3' ' HB2' ' D' ' 16' ' ' TYR . 96.5 Cg_endo -78.9 50.94 3.64 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.995 2.463 . . . . 0.0 112.241 179.537 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.456 ' O ' ' HA3' ' A' ' 1' ' ' GLY . 20.7 ptmt -109.36 157.95 18.39 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.771 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 25.8 m . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.628 -0.701 . . . . 0.0 110.317 -179.878 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' C' C ' 1' ' ' GLY . . . . . 0.449 ' HA3' ' O ' ' D' ' 29' ' ' LYS . . . . . . . . 0 N--CA 1.488 2.107 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 5.0 tt -49.92 -42.54 18.89 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 N-CA-C 112.789 0.663 . . . . 0.0 112.789 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 3' ' ' VAL . . . . . 0.57 HG11 ' HG3' ' D' ' 4' ' ' GLN . 21.8 t -53.46 -55.64 12.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -179.558 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -61.74 -42.02 98.43 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.847 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -57.76 -41.09 81.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.065 179.139 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 6' ' ' CYS . . . . . 0.42 ' HB2' HD13 ' D' ' 11' ' ' LEU . 80.5 m -89.96 2.01 55.61 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -179.19 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 7' ' ' CYS . . . . . . . . . . . . . 9.5 t -112.26 -19.48 12.21 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.906 0.384 . . . . 0.0 111.265 -179.552 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 12.4 t -75.53 -25.77 57.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.376 -179.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 27.1 t -160.68 12.1 0.1 Allowed 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 121.013 -0.275 . . . . 0.0 111.447 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 2.4 mp 66.09 117.68 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 CA-C-O 121.645 0.736 . . . . 0.0 111.174 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 65.9 m -71.08 141.0 50.85 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.566 179.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 34.1 t -80.58 165.87 21.66 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 177.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 9.3 mp -60.39 -31.48 70.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.047 0.451 . . . . 0.0 110.523 179.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -70.89 -17.61 62.7 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.98 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -94.88 -39.03 10.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.902 0.382 . . . . 0.0 110.358 179.112 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 88.5 mt -67.33 -31.17 71.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.087 0.47 . . . . 0.0 110.472 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.86 -30.03 65.47 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.341 179.671 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -61.64 -24.61 66.84 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.949 179.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -107.88 8.62 28.68 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.819 -177.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 8.1 t -79.46 149.59 31.51 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.755 -179.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 . . . . . 0 C--O 1.252 1.187 0 CA-C-O 118.287 -0.863 . . . . 0.0 110.424 -179.794 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 53.0 t80 . . . . . 0 N--CA 1.48 1.038 0 N-CA-C 111.641 0.237 . . . . 0.0 111.641 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' D' D ' 2' ' ' VAL . . . . . 0.512 ' O ' ' HG ' ' D' ' 6' ' ' LEU . 15.1 m -74.14 -39.48 50.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 120.37 -0.532 . . . . 0.0 111.326 -179.122 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 3' ' ' ASN . . . . . 0.557 ' O ' ' HB3' ' D' ' 7' ' ' CYS . 23.9 m-20 -72.41 -4.48 30.42 Favored 'General case' 0 C--O 1.217 -0.632 0 CA-C-O 121.351 0.596 . . . . 0.0 110.064 178.388 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 4' ' ' GLN . . . . . 0.57 ' HG3' HG11 ' C' ' 3' ' ' VAL . 29.6 tt0 -72.41 -17.41 61.8 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 178.103 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 5' ' ' HIS . . . . . 0.45 ' HA ' ' HE2' ' B' ' 16' ' ' TYR . 35.2 t60 -113.72 -2.38 13.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.984 178.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 6' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' D' ' 2' ' ' VAL . 7.6 mt -113.89 -39.72 3.91 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.419 0.628 . . . . 0.0 110.015 -179.3 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 7' ' ' CYS . . . . . 0.557 ' HB3' ' O ' ' D' ' 3' ' ' ASN . 0.3 OUTLIER -88.95 -33.1 17.35 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 177.924 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' D' D ' 8' ' ' GLY . . . . . . . . . . . . . . . -61.92 -26.42 67.18 Favored Glycine 0 N--CA 1.449 -0.45 0 CA-C-N 115.555 -0.748 . . . . 0.0 112.594 178.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.4 10.71 2.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.936 0.398 . . . . 0.0 111.748 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 10' ' ' HIS . . . . . . . . . . . . . 37.4 m-70 -114.16 -39.33 3.92 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 178.164 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 11' ' ' LEU . . . . . 0.443 ' H ' ' HG ' ' D' ' 11' ' ' LEU . 0.1 OUTLIER -64.84 -25.56 67.95 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.922 179.286 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 6.2 m -60.54 -49.18 85.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 112.978 0.732 . . . . 0.0 112.978 -179.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 13' ' ' GLU . . . . . 0.868 ' HA ' ' HE1' ' D' ' 16' ' ' TYR . 64.2 tt0 -66.58 -33.34 75.46 Favored 'General case' 0 CA--C 1.52 -0.182 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.357 -179.289 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.52 -39.62 77.44 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.763 179.164 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 12.1 mt -57.62 -54.53 45.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.369 -179.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 16' ' ' TYR . . . . . 0.927 ' HB2' ' HG3' ' B' ' 28' ' ' PRO . 3.5 p90 -80.28 3.98 19.19 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 119.55 -0.86 . . . . 0.0 111.032 -179.728 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . 0.59 ' HB2' ' O ' ' D' ' 13' ' ' GLU . 5.3 tt -88.92 -44.96 10.06 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 177.666 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 87.9 t -64.79 -39.99 87.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.659 178.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 19' ' ' CYS . . . . . 0.821 ' HB3' ' HB2' ' D' ' 22' ' ' ARG . 93.8 m -78.35 -20.94 50.27 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.031 179.604 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.61 -100.77 0.77 Allowed Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 121.079 -0.581 . . . . 0.0 112.264 179.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -98.33 0.25 45.13 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.386 0.612 . . . . 0.0 109.886 179.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 22' ' ' ARG . . . . . 0.821 ' HB2' ' HB3' ' D' ' 19' ' ' CYS . 42.9 mtp85 -87.01 152.58 22.26 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.24 178.696 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 23' ' ' GLY . . . . . 0.74 ' HA2' ' HD2' ' B' ' 28' ' ' PRO . . . -90.53 -167.87 42.02 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.526 -0.845 . . . . 0.0 112.294 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 24' ' ' PHE . . . . . 0.741 ' CE1' ' HB3' ' D' ' 16' ' ' TYR . 16.8 p90 -167.79 170.67 10.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.273 0.558 . . . . 0.0 110.759 179.749 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 25' ' ' PHE . . . . . 0.547 ' HD1' ' HD1' ' B' ' 25' ' ' PHE . 40.0 m-85 -109.36 136.7 48.36 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.161 -0.927 . . . . 0.0 108.994 179.153 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 26' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -134.61 120.26 19.37 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.624 -179.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 27' ' ' THR . . . . . 0.609 HG22 ' HA3' ' B' ' 23' ' ' GLY . 3.0 p -126.76 100.13 28.52 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-O 120.941 0.401 . . . . 0.0 111.755 -179.767 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 28' ' ' PRO . . . . . 0.934 ' HG3' ' HB2' ' B' ' 16' ' ' TYR . 94.2 Cg_endo -78.93 50.71 3.56 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.897 2.398 . . . . 0.0 112.07 179.556 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 29' ' ' LYS . . . . . 0.449 ' O ' ' HA3' ' C' ' 1' ' ' GLY . 20.3 ptmt -109.15 157.11 19.08 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.101 179.751 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 24.8 m . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.562 -0.733 . . . . 0.0 110.142 -179.828 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' E' E ' 1' ' ' GLY . . . . . 0.402 ' HA3' ' O ' ' F' ' 29' ' ' LYS . . . . . . . . 0 N--CA 1.489 2.182 0 N-CA-C 112.727 -0.149 . . . . 0.0 112.727 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 2' ' ' ILE . . . . . . . . . . . . . 4.9 tt -50.38 -42.48 21.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 3' ' ' VAL . . . . . 0.581 HG11 ' HG3' ' F' ' 4' ' ' GLN . 21.8 t -53.54 -54.87 16.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 111.743 0.275 . . . . 0.0 111.743 -179.645 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' E' E ' 4' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -62.35 -42.33 99.31 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.722 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -56.94 -42.7 80.55 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.402 0.62 . . . . 0.0 110.998 179.218 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 6' ' ' CYS . . . . . 0.414 ' HB2' HD13 ' F' ' 11' ' ' LEU . 86.5 m -88.63 2.31 53.41 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.052 -0.522 . . . . 0.0 112.333 -179.016 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' E' E ' 7' ' ' CYS . . . . . . . . . . . . . 9.3 t -112.04 -20.96 11.77 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.86 0.362 . . . . 0.0 111.188 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 8.9 t -74.6 -24.49 58.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.697 -179.137 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 9' ' ' SER . . . . . . . . . . . . . 22.8 t -161.06 10.09 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 121.074 -0.25 . . . . 0.0 111.449 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 10' ' ' ILE . . . . . . . . . . . . . 2.4 mp 67.84 119.11 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 CA-C-O 121.36 0.6 . . . . 0.0 110.893 -179.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 11' ' ' CYS . . . . . . . . . . . . . 61.9 m -72.92 140.33 47.4 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.434 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 12' ' ' SER . . . . . . . . . . . . . 34.7 t -79.58 165.61 22.76 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 177.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 9.5 mp -60.18 -32.63 71.25 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.084 0.469 . . . . 0.0 110.448 179.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -69.61 -16.54 63.41 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.483 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -96.02 -38.78 10.07 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.857 0.361 . . . . 0.0 110.206 179.167 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 16' ' ' LEU . . . . . . . . . . . . . 85.8 mt -67.6 -31.17 71.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.466 179.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.86 -29.43 64.99 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.482 179.608 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' E' E ' 18' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -61.71 -26.51 68.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.896 179.518 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 19' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -106.31 9.24 32.01 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.949 -177.636 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 20' ' ' CYS . . . . . . . . . . . . . 8.1 t -79.22 151.81 30.99 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.832 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 21' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.301 -0.857 . . . . 0.0 110.517 -179.732 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' F' F ' 1' ' ' PHE . . . . . 0.422 ' O ' ' HB3' ' F' ' 4' ' ' GLN . 51.6 t80 . . . . . 0 N--CA 1.482 1.139 0 N-CA-C 111.607 0.225 . . . . 0.0 111.607 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 2' ' ' VAL . . . . . 0.503 ' O ' ' HG ' ' F' ' 6' ' ' LEU . 17.1 m -72.15 -40.52 66.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 120.664 -0.414 . . . . 0.0 111.438 -179.131 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' F' F ' 3' ' ' ASN . . . . . 0.553 ' O ' ' HB3' ' F' ' 7' ' ' CYS . 24.5 m-20 -71.52 -5.31 32.17 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-O 121.151 0.5 . . . . 0.0 110.026 178.52 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' F' F ' 4' ' ' GLN . . . . . 0.581 ' HG3' HG11 ' E' ' 3' ' ' VAL . 28.4 tt0 -71.6 -17.71 62.26 Favored 'General case' 0 C--N 1.315 -0.911 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 178.138 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' F' F ' 5' ' ' HIS . . . . . 0.445 ' HA ' ' HE2' ' H' ' 16' ' ' TYR . 34.4 t60 -113.31 -2.44 14.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.082 178.759 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' F' F ' 6' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' F' ' 2' ' ' VAL . 7.8 mt -113.89 -41.0 3.63 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.398 0.618 . . . . 0.0 109.962 -179.365 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' F' F ' 7' ' ' CYS . . . . . 0.553 ' HB3' ' O ' ' F' ' 3' ' ' ASN . 0.4 OUTLIER -87.21 -33.53 19.3 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.262 -0.881 . . . . 0.0 108.725 177.643 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' F' F ' 8' ' ' GLY . . . . . . . . . . . . . . . -61.95 -26.29 67.07 Favored Glycine 0 N--CA 1.45 -0.421 0 CA-C-N 115.468 -0.787 . . . . 0.0 112.77 178.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.43 10.36 3.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.066 0.46 . . . . 0.0 111.663 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' F' F ' 10' ' ' HIS . . . . . . . . . . . . . 37.7 m-70 -113.74 -39.67 3.96 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 178.091 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 11' ' ' LEU . . . . . 0.424 ' H ' ' HG ' ' F' ' 11' ' ' LEU . 0.1 OUTLIER -64.45 -25.44 68.01 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.979 179.257 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 5.7 m -60.69 -49.3 85.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -179.244 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 13' ' ' GLU . . . . . 0.862 ' HA ' ' HE1' ' F' ' 16' ' ' TYR . 65.0 tt0 -66.2 -34.01 77.05 Favored 'General case' 0 CA--C 1.522 -0.117 0 C-N-CA 120.661 -0.415 . . . . 0.0 110.509 -179.453 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' F' F ' 14' ' ' ALA . . . . . 0.401 ' O ' HG23 ' F' ' 18' ' ' VAL . . . -68.82 -39.98 79.73 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.926 179.006 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' F' F ' 15' ' ' LEU . . . . . . . . . . . . . 12.0 mt -57.41 -54.87 41.88 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.996 -0.547 . . . . 0.0 112.196 -179.664 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 16' ' ' TYR . . . . . 0.926 ' HB2' ' HG3' ' H' ' 28' ' ' PRO . 3.5 p90 -79.76 3.62 18.89 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 119.669 -0.812 . . . . 0.0 111.335 -179.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' F' F ' 17' ' ' LEU . . . . . 0.579 ' HB2' ' O ' ' F' ' 13' ' ' GLU . 5.3 tt -88.58 -45.41 9.91 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 107.784 -1.191 . . . . 0.0 107.784 177.483 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . 0.401 HG23 ' O ' ' F' ' 14' ' ' ALA . 93.4 t -64.3 -40.57 89.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.115 -0.948 . . . . 0.0 109.725 178.578 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' F' F ' 19' ' ' CYS . . . . . 0.841 ' HB3' ' HB2' ' F' ' 22' ' ' ARG . 91.8 m -77.95 -20.7 52.26 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.659 -0.701 . . . . 0.0 111.002 179.508 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' F' F ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.15 -102.53 0.94 Allowed Glycine 0 N--CA 1.453 -0.208 0 C-N-CA 120.909 -0.663 . . . . 0.0 111.96 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 21' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -96.25 -0.93 49.08 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.167 0.508 . . . . 0.0 109.987 179.401 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 22' ' ' ARG . . . . . 0.841 ' HB2' ' HB3' ' F' ' 19' ' ' CYS . 43.5 mtp85 -85.76 152.64 22.88 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.513 178.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' F' F ' 23' ' ' GLY . . . . . 0.729 ' HA2' ' HD2' ' H' ' 28' ' ' PRO . . . -90.57 -167.49 41.74 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.336 -0.935 . . . . 0.0 112.394 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' F' F ' 24' ' ' PHE . . . . . 0.736 ' CE1' ' HB3' ' F' ' 16' ' ' TYR . 17.7 p90 -168.07 171.25 9.74 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-O 121.236 0.541 . . . . 0.0 110.917 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' F' F ' 25' ' ' PHE . . . . . 0.553 ' HD1' ' HD1' ' H' ' 25' ' ' PHE . 40.4 m-85 -110.32 135.71 50.63 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.239 -0.891 . . . . 0.0 109.189 179.338 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' F' F ' 26' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -133.1 121.76 23.11 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.52 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 27' ' ' THR . . . . . 0.572 HG22 ' HA3' ' H' ' 23' ' ' GLY . 1.6 p -128.32 99.81 23.82 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.497 -179.596 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' F' F ' 28' ' ' PRO . . . . . 0.901 ' HG3' ' HB2' ' H' ' 16' ' ' TYR . 94.0 Cg_endo -79.2 50.34 3.46 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.97 2.447 . . . . 0.0 112.199 179.601 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' F' F ' 29' ' ' LYS . . . . . 0.402 ' O ' ' HA3' ' E' ' 1' ' ' GLY . 20.3 ptmt -107.91 159.68 16.34 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.907 179.455 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' F' F ' 30' ' ' THR . . . . . . . . . . . . . 31.8 m . . . . . 0 C--O 1.247 0.969 0 CA-C-O 118.464 -0.779 . . . . 0.0 110.242 -179.863 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' G' G ' 1' ' ' GLY . . . . . 0.463 ' HA3' ' O ' ' H' ' 29' ' ' LYS . . . . . . . . 0 N--CA 1.487 2.098 0 CA-C-O 120.81 0.117 . . . . 0.0 112.914 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' G' G ' 2' ' ' ILE . . . . . . . . . . . . . 4.9 tt -51.47 -42.79 29.53 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' G' G ' 3' ' ' VAL . . . . . 0.598 HG11 ' HG3' ' H' ' 4' ' ' GLN . 22.1 t -53.34 -55.05 14.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 120.695 0.283 . . . . 0.0 111.687 -179.628 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' G' G ' 4' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -62.24 -42.27 99.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.659 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' G' G ' 5' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -57.24 -41.77 80.21 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.403 0.62 . . . . 0.0 111.042 179.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' G' G ' 6' ' ' CYS . . . . . 0.422 ' HB2' HD13 ' H' ' 11' ' ' LEU . 80.1 m -89.52 2.3 54.78 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.993 -0.548 . . . . 0.0 112.244 -178.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' G' G ' 7' ' ' CYS . . . . . . . . . . . . . 9.9 t -112.27 -20.16 11.95 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.875 0.369 . . . . 0.0 110.946 -179.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' G' G ' 8' ' ' THR . . . . . . . . . . . . . 10.3 t -75.88 -22.51 56.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.581 -0.282 . . . . 0.0 111.627 -179.048 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' G' G ' 9' ' ' SER . . . . . . . . . . . . . 18.2 t -163.69 11.6 0.05 Allowed 'General case' 0 C--N 1.328 -0.335 0 O-C-N 122.244 -0.285 . . . . 0.0 111.231 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' G' G ' 10' ' ' ILE . . . . . . . . . . . . . 2.4 mp 66.18 117.82 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 CA-C-O 121.378 0.608 . . . . 0.0 111.234 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' G' G ' 11' ' ' CYS . . . . . . . . . . . . . 65.4 m -71.09 141.78 50.83 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.44 179.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' G' G ' 12' ' ' SER . . . . . . . . . . . . . 48.1 t -81.53 165.8 20.84 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 177.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' G' G ' 13' ' ' LEU . . . . . . . . . . . . . 9.3 mp -59.65 -32.55 70.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.103 0.478 . . . . 0.0 110.485 179.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -70.06 -16.58 63.16 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.527 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -96.05 -39.31 9.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.944 0.402 . . . . 0.0 110.193 179.133 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' G' G ' 16' ' ' LEU . . . . . . . . . . . . . 85.7 mt -66.96 -30.7 70.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.504 179.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' G' G ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.18 -30.43 66.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.394 179.663 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' G' G ' 18' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -61.02 -25.04 66.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.672 -0.695 . . . . 0.0 112.025 179.38 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' G' G ' 19' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -107.56 8.68 29.39 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.931 -177.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' G' G ' 20' ' ' CYS . . . . . . . . . . . . . 8.1 t -79.03 150.03 32.02 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.702 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' G' G ' 21' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 . . . . . 0 C--O 1.246 0.896 0 CA-C-O 118.245 -0.883 . . . . 0.0 109.962 179.99 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' H' H ' 1' ' ' PHE . . . . . 0.41 ' O ' ' HB3' ' H' ' 4' ' ' GLN . 53.0 t80 . . . . . 0 N--CA 1.479 1.0 0 CA-C-O 120.474 0.178 . . . . 0.0 111.156 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' H' H ' 2' ' ' VAL . . . . . 0.507 ' O ' ' HG ' ' H' ' 6' ' ' LEU . 16.5 m -73.37 -39.56 55.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 C-N-CA 120.472 -0.491 . . . . 0.0 111.337 -179.258 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' H' H ' 3' ' ' ASN . . . . . 0.56 ' O ' ' HB3' ' H' ' 7' ' ' CYS . 28.3 m-20 -72.34 -5.43 36.23 Favored 'General case' 0 C--O 1.217 -0.652 0 CA-C-O 121.249 0.547 . . . . 0.0 109.995 178.448 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' H' H ' 4' ' ' GLN . . . . . 0.598 ' HG3' HG11 ' G' ' 3' ' ' VAL . 28.4 tt0 -71.59 -17.98 62.26 Favored 'General case' 0 C--N 1.313 -0.992 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 178.212 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' H' H ' 5' ' ' HIS . . . . . 0.427 ' HA ' ' HE2' ' F' ' 16' ' ' TYR . 36.4 t60 -112.8 -3.01 14.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.049 178.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' H' H ' 6' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' H' ' 2' ' ' VAL . 7.6 mt -113.51 -40.27 3.88 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.519 0.676 . . . . 0.0 109.963 -179.22 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' H' H ' 7' ' ' CYS . . . . . 0.56 ' HB3' ' O ' ' H' ' 3' ' ' ASN . 0.4 OUTLIER -87.88 -33.5 18.51 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.218 -0.901 . . . . 0.0 108.587 177.907 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' H' H ' 8' ' ' GLY . . . . . . . . . . . . . . . -61.72 -26.82 67.36 Favored Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 115.284 -0.871 . . . . 0.0 112.74 178.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' H' H ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.97 10.07 3.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.982 0.42 . . . . 0.0 111.684 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' H' H ' 10' ' ' HIS . . . . . . . . . . . . . 36.9 m-70 -113.52 -39.72 4.01 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 178.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' H' H ' 11' ' ' LEU . . . . . 0.443 ' H ' ' HG ' ' H' ' 11' ' ' LEU . 0.1 OUTLIER -64.33 -25.69 68.15 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.074 -0.967 . . . . 0.0 110.055 179.27 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 6.1 m -60.49 -49.48 84.19 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -179.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' H' H ' 13' ' ' GLU . . . . . 0.867 ' HA ' ' HE1' ' H' ' 16' ' ' TYR . 64.3 tt0 -65.77 -34.44 78.18 Favored 'General case' 0 CA--C 1.522 -0.125 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.387 -179.466 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' H' H ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.63 -39.64 80.67 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.985 179.107 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' H' H ' 15' ' ' LEU . . . . . . . . . . . . . 12.0 mt -57.7 -54.6 45.09 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.076 -0.511 . . . . 0.0 112.311 -179.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' H' H ' 16' ' ' TYR . . . . . 0.901 ' HB2' ' HG3' ' F' ' 28' ' ' PRO . 3.6 p90 -79.98 3.48 19.95 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 119.647 -0.821 . . . . 0.0 111.163 -179.77 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' H' H ' 17' ' ' LEU . . . . . 0.579 ' HB2' ' O ' ' H' ' 13' ' ' GLU . 5.3 tt -88.38 -44.99 10.36 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 177.63 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 84.3 t -64.52 -41.08 91.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 114.99 -1.005 . . . . 0.0 109.613 178.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' H' H ' 19' ' ' CYS . . . . . 0.824 ' HB3' ' HB2' ' H' ' 22' ' ' ARG . 95.4 m -77.09 -22.39 52.85 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.071 179.614 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' H' H ' 20' ' ' GLY . . . . . . . . . . . . . . . 70.99 -101.36 0.94 Allowed Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.122 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' H' H ' 21' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -97.05 -1.84 44.53 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.277 0.56 . . . . 0.0 109.697 179.174 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' H' H ' 22' ' ' ARG . . . . . 0.824 ' HB2' ' HB3' ' H' ' 19' ' ' CYS . 46.2 mtp85 -84.7 152.15 23.94 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.267 -0.878 . . . . 0.0 109.618 178.772 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' H' H ' 23' ' ' GLY . . . . . 0.718 ' HA2' ' HD2' ' F' ' 28' ' ' PRO . . . -90.38 -167.53 41.93 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.512 -0.851 . . . . 0.0 112.312 -179.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' H' H ' 24' ' ' PHE . . . . . 0.75 ' CE1' ' HB3' ' H' ' 16' ' ' TYR . 18.3 p90 -168.16 171.21 9.64 Favored 'General case' 0 C--O 1.24 0.571 0 CA-C-O 121.175 0.512 . . . . 0.0 110.826 179.77 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' H' H ' 25' ' ' PHE . . . . . 0.553 ' HD1' ' HD1' ' F' ' 25' ' ' PHE . 40.3 m-85 -110.28 136.38 49.56 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.153 179.319 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' H' H ' 26' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -134.34 120.87 20.43 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.393 -0.523 . . . . 0.0 110.403 -179.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' H' H ' 27' ' ' THR . . . . . 0.571 HG22 ' HA3' ' F' ' 23' ' ' GLY . 1.9 p -127.14 99.42 28.35 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.492 -179.57 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' H' H ' 28' ' ' PRO . . . . . 0.926 ' HG3' ' HB2' ' F' ' 16' ' ' TYR . 94.1 Cg_endo -78.95 51.57 3.9 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.82 2.347 . . . . 0.0 111.93 179.547 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' H' H ' 29' ' ' LYS . . . . . 0.463 ' O ' ' HA3' ' G' ' 1' ' ' GLY . 20.5 ptmt -109.65 157.02 19.51 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.84 179.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' H' H ' 30' ' ' THR . . . . . . . . . . . . . 25.7 m . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.216 -0.897 . . . . 0.0 109.928 -179.73 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' I' I ' 1' ' ' GLY . . . . . 0.451 ' HA3' ' O ' ' J' ' 29' ' ' LYS . . . . . . . . 0 N--CA 1.488 2.12 0 N-CA-C 112.853 -0.099 . . . . 0.0 112.853 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' I' I ' 2' ' ' ILE . . . . . . . . . . . . . 5.2 tt -50.2 -42.36 20.02 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' I' I ' 3' ' ' VAL . . . . . 0.578 HG11 ' HG3' ' J' ' 4' ' ' GLN . 22.5 t -53.91 -55.25 14.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -179.473 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' I' I ' 4' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -62.15 -41.7 98.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.814 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' I' I ' 5' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -57.54 -42.49 83.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.426 0.631 . . . . 0.0 110.913 179.09 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' I' I ' 6' ' ' CYS . . . . . 0.432 ' HB2' HD13 ' J' ' 11' ' ' LEU . 82.1 m -88.38 1.35 54.86 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.876 -0.602 . . . . 0.0 112.256 -179.166 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' I' I ' 7' ' ' CYS . . . . . . . . . . . . . 9.7 t -112.42 -17.65 12.64 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.924 0.393 . . . . 0.0 111.356 -179.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' I' I ' 8' ' ' THR . . . . . . . . . . . . . 8.9 t -78.06 -23.4 48.1 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.273 -179.259 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' I' I ' 9' ' ' SER . . . . . . . . . . . . . 22.3 t -162.56 12.45 0.07 Allowed 'General case' 0 C--O 1.233 0.226 0 C-N-CA 121.05 -0.26 . . . . 0.0 111.135 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' I' I ' 10' ' ' ILE . . . . . 0.427 ' HA ' ' O ' ' I' ' 6' ' ' CYS . 2.4 mp 65.46 118.53 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 CA-C-O 121.5 0.667 . . . . 0.0 111.145 -179.622 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' I' I ' 11' ' ' CYS . . . . . . . . . . . . . 63.4 m -72.0 141.07 49.36 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.287 179.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' I' I ' 12' ' ' SER . . . . . . . . . . . . . 41.6 t -80.79 165.97 21.4 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 177.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' I' I ' 13' ' ' LEU . . . . . . . . . . . . . 9.4 mp -60.11 -31.16 69.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.145 0.498 . . . . 0.0 110.547 179.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -71.06 -17.92 62.58 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.031 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -94.91 -38.84 10.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.941 0.4 . . . . 0.0 110.335 179.097 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' I' I ' 16' ' ' LEU . . . . . . . . . . . . . 86.8 mt -67.41 -30.84 70.7 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.106 0.479 . . . . 0.0 110.494 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' I' I ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.23 -30.91 66.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.383 179.646 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' I' I ' 18' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -59.77 -26.17 65.49 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.011 179.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' I' I ' 19' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -106.61 8.51 31.24 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.955 -177.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' I' I ' 20' ' ' CYS . . . . . . . . . . . . . 8.1 t -78.93 150.45 32.09 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.742 -179.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' I' I ' 21' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 . . . . . 0 C--O 1.248 0.984 0 CA-C-O 118.178 -0.915 . . . . 0.0 110.696 -179.719 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' J' J ' 1' ' ' PHE . . . . . . . . . . . . . 53.2 t80 . . . . . 0 N--CA 1.48 1.056 0 CA-C-O 120.542 0.21 . . . . 0.0 111.54 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' J' J ' 2' ' ' VAL . . . . . 0.499 ' O ' ' HG ' ' J' ' 6' ' ' LEU . 16.8 m -73.98 -39.93 51.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 C-N-CA 120.335 -0.546 . . . . 0.0 111.272 -179.194 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' J' J ' 3' ' ' ASN . . . . . 0.557 ' O ' ' HB3' ' J' ' 7' ' ' CYS . 20.8 m-20 -72.22 -5.18 33.98 Favored 'General case' 0 C--O 1.217 -0.631 0 CA-C-O 121.273 0.559 . . . . 0.0 110.108 178.594 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' J' J ' 4' ' ' GLN . . . . . 0.578 ' HG3' HG11 ' I' ' 3' ' ' VAL . 28.5 tt0 -71.59 -17.61 62.28 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 177.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' J' J ' 5' ' ' HIS . . . . . 0.44 ' HA ' ' HE2' ' L' ' 16' ' ' TYR . 36.2 t60 -113.28 -2.7 13.98 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.986 178.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' J' J ' 6' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' J' ' 2' ' ' VAL . 7.6 mt -113.84 -40.22 3.82 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.375 0.607 . . . . 0.0 109.986 -179.295 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' J' J ' 7' ' ' CYS . . . . . 0.557 ' HB3' ' O ' ' J' ' 3' ' ' ASN . 0.4 OUTLIER -88.31 -33.09 18.13 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 108.563 -0.902 . . . . 0.0 108.563 177.76 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' J' J ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.46 -25.88 67.48 Favored Glycine 0 C--N 1.333 0.396 0 CA-C-N 115.654 -0.703 . . . . 0.0 112.484 178.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' J' J ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.59 10.46 3.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.104 0.478 . . . . 0.0 111.646 179.757 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' J' J ' 10' ' ' HIS . . . . . . . . . . . . . 36.2 m-70 -113.78 -39.53 3.99 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 178.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' J' J ' 11' ' ' LEU . . . . . 0.458 ' H ' ' HG ' ' J' ' 11' ' ' LEU . 0.1 OUTLIER -64.44 -25.69 68.12 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.145 179.188 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 6.6 m -60.63 -49.08 85.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 -179.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' J' J ' 13' ' ' GLU . . . . . 0.861 ' HA ' ' HE1' ' J' ' 16' ' ' TYR . 63.4 tt0 -66.32 -34.01 77.02 Favored 'General case' 0 CA--C 1.521 -0.154 0 C-N-CA 120.475 -0.49 . . . . 0.0 110.209 -179.474 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' J' J ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.59 -40.41 80.51 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.048 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' J' J ' 15' ' ' LEU . . . . . . . . . . . . . 11.9 mt -57.18 -54.96 40.8 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.376 -179.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' J' J ' 16' ' ' TYR . . . . . 0.93 ' HB2' ' HG3' ' L' ' 28' ' ' PRO . 3.5 p90 -79.57 3.14 19.79 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 119.479 -0.889 . . . . 0.0 111.152 -179.745 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' J' J ' 17' ' ' LEU . . . . . 0.57 ' HB2' ' O ' ' J' ' 13' ' ' GLU . 5.3 tt -87.78 -45.19 10.54 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 177.594 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 89.9 t -64.5 -40.16 88.08 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-N 115.129 -0.941 . . . . 0.0 109.852 178.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' J' J ' 19' ' ' CYS . . . . . 0.829 ' HB3' ' HB2' ' J' ' 22' ' ' ARG . 93.8 m -78.24 -20.63 51.34 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.138 179.555 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' J' J ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.61 -101.52 0.78 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 121.248 -0.501 . . . . 0.0 112.059 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' J' J ' 21' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -97.03 1.05 49.7 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.16 0.505 . . . . 0.0 110.068 179.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' J' J ' 22' ' ' ARG . . . . . 0.829 ' HB2' ' HB3' ' J' ' 19' ' ' CYS . 41.7 mtp85 -88.65 150.4 23.04 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.469 179.081 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' J' J ' 23' ' ' GLY . . . . . 0.742 ' HA2' ' HD2' ' L' ' 28' ' ' PRO . . . -87.78 -168.53 44.57 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.465 -179.66 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' J' J ' 24' ' ' PHE . . . . . 0.753 ' CE1' ' HB3' ' J' ' 16' ' ' TYR . 17.7 p90 -167.78 170.51 10.76 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-O 121.21 0.529 . . . . 0.0 110.875 179.652 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' J' J ' 25' ' ' PHE . . . . . 0.543 ' HD1' ' HD1' ' L' ' 25' ' ' PHE . 39.2 m-85 -109.45 136.1 49.4 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.283 179.318 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' J' J ' 26' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -133.49 121.28 21.95 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.508 -179.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' J' J ' 27' ' ' THR . . . . . 0.583 HG22 ' HA3' ' L' ' 23' ' ' GLY . 1.8 p -128.11 99.33 25.2 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.388 -179.63 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' J' J ' 28' ' ' PRO . . . . . 0.92 ' HG3' ' HB2' ' L' ' 16' ' ' TYR . 95.7 Cg_endo -78.6 51.04 3.61 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 123.04 2.493 . . . . 0.0 111.975 179.479 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' J' J ' 29' ' ' LYS . . . . . 0.451 ' O ' ' HA3' ' I' ' 1' ' ' GLY . 20.2 ptmt -109.77 155.94 20.95 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.951 179.775 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' J' J ' 30' ' ' THR . . . . . . . . . . . . . 23.7 m . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.367 -0.825 . . . . 0.0 110.147 -179.788 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' K' K ' 1' ' ' GLY . . . . . 0.435 ' HA3' ' O ' ' L' ' 29' ' ' LYS . . . . . . . . 0 N--CA 1.488 2.125 0 CA-C-O 120.866 0.148 . . . . 0.0 112.734 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' K' K ' 2' ' ' ILE . . . . . . . . . . . . . 5.0 tt -50.59 -42.74 22.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 N-CA-C 112.505 0.558 . . . . 0.0 112.505 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' K' K ' 3' ' ' VAL . . . . . 0.574 HG11 ' HG3' ' L' ' 4' ' ' GLN . 22.0 t -53.5 -55.49 12.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 120.704 0.288 . . . . 0.0 111.613 -179.567 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' K' K ' 4' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -62.21 -41.79 98.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.713 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' K' K ' 5' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -57.5 -42.2 82.25 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.392 0.615 . . . . 0.0 110.918 179.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' K' K ' 6' ' ' CYS . . . . . 0.437 ' HB2' HD13 ' L' ' 11' ' ' LEU . 82.0 m -89.07 2.28 54.31 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.269 -179.213 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' K' K ' 7' ' ' CYS . . . . . . . . . . . . . 9.8 t -112.66 -18.58 12.32 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.878 0.37 . . . . 0.0 110.964 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' K' K ' 8' ' ' THR . . . . . . . . . . . . . 9.2 t -76.99 -22.7 52.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.626 -179.05 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' K' K ' 9' ' ' SER . . . . . . . . . . . . . 21.4 t -163.42 11.4 0.06 Allowed 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 121.281 -0.168 . . . . 0.0 111.158 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' K' K ' 10' ' ' ILE . . . . . 0.412 ' HA ' ' O ' ' K' ' 6' ' ' CYS . 2.5 mp 66.48 119.18 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 CA-C-O 121.384 0.611 . . . . 0.0 111.085 -179.598 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' K' K ' 11' ' ' CYS . . . . . . . . . . . . . 63.4 m -72.79 141.35 48.06 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.262 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' K' K ' 12' ' ' SER . . . . . . . . . . . . . 45.3 t -80.86 166.02 21.29 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 177.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' K' K ' 13' ' ' LEU . . . . . . . . . . . . . 9.5 mp -60.27 -32.01 70.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.07 0.462 . . . . 0.0 110.342 179.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -70.17 -17.06 63.16 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.45 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -95.81 -39.32 9.9 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.898 0.38 . . . . 0.0 110.21 179.077 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' K' K ' 16' ' ' LEU . . . . . . . . . . . . . 87.4 mt -66.82 -31.01 71.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.435 179.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' K' K ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.22 -30.23 66.33 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.271 179.669 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' K' K ' 18' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -61.21 -24.84 66.63 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.759 -0.655 . . . . 0.0 112.07 179.411 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' K' K ' 19' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -107.6 8.34 29.13 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.941 -177.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' K' K ' 20' ' ' CYS . . . . . . . . . . . . . 8.1 t -78.79 150.68 32.3 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.893 0.378 . . . . 0.0 110.906 -179.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' K' K ' 21' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.521 -179.65 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' L' L ' 1' ' ' PHE . . . . . 0.43 ' O ' ' HB3' ' L' ' 4' ' ' GLN . 52.5 t80 . . . . . 0 N--CA 1.481 1.121 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' L' L ' 2' ' ' VAL . . . . . 0.495 ' O ' ' HG ' ' L' ' 6' ' ' LEU . 16.5 m -72.65 -39.54 60.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 C-N-CA 120.53 -0.468 . . . . 0.0 111.679 -178.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' L' L ' 3' ' ' ASN . . . . . 0.567 ' O ' ' HB3' ' L' ' 7' ' ' CYS . 25.3 m-20 -72.73 -4.7 32.97 Favored 'General case' 0 C--O 1.216 -0.679 0 CA-C-O 121.182 0.515 . . . . 0.0 109.808 178.558 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' L' L ' 4' ' ' GLN . . . . . 0.574 ' HG3' HG11 ' K' ' 3' ' ' VAL . 29.2 tt0 -72.01 -17.83 62.01 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 177.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' L' L ' 5' ' ' HIS . . . . . 0.437 ' HA ' ' HE2' ' J' ' 16' ' ' TYR . 36.3 t60 -112.83 -2.86 14.27 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.995 178.741 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' L' L ' 6' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' L' ' 2' ' ' VAL . 8.0 mt -113.74 -39.77 3.94 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.487 0.661 . . . . 0.0 110.085 -179.146 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' L' L ' 7' ' ' CYS . . . . . 0.567 ' HB3' ' O ' ' L' ' 3' ' ' ASN . 0.5 OUTLIER -88.78 -33.63 17.38 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 178.072 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' L' L ' 8' ' ' GLY . . . . . . . . . . . . . . . -61.55 -26.6 66.78 Favored Glycine 0 N--CA 1.449 -0.44 0 CA-C-N 115.585 -0.734 . . . . 0.0 112.699 178.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' L' L ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.09 10.32 3.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.981 0.42 . . . . 0.0 111.721 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' L' L ' 10' ' ' HIS . . . . . . . . . . . . . 39.0 m-70 -113.82 -39.45 3.99 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 178.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' L' L ' 11' ' ' LEU . . . . . 0.474 ' H ' ' HG ' ' L' ' 11' ' ' LEU . 0.1 OUTLIER -64.72 -25.52 67.97 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.36 -0.837 . . . . 0.0 109.908 179.344 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' L' L ' 12' ' ' VAL . . . . . . . . . . . . . 5.8 m -60.68 -49.21 85.39 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 -179.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' L' L ' 13' ' ' GLU . . . . . 0.863 ' HA ' ' HE1' ' L' ' 16' ' ' TYR . 63.3 tt0 -66.18 -33.72 76.41 Favored 'General case' 0 CA--C 1.521 -0.163 0 C-N-CA 120.56 -0.456 . . . . 0.0 110.375 -179.529 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' L' L ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.1 -40.14 78.58 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.764 179.087 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' L' L ' 15' ' ' LEU . . . . . . . . . . . . . 12.1 mt -57.16 -55.0 40.41 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.265 -179.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' L' L ' 16' ' ' TYR . . . . . 0.92 ' HB2' ' HG3' ' J' ' 28' ' ' PRO . 3.3 p90 -79.65 3.14 20.0 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 119.555 -0.858 . . . . 0.0 111.196 -179.705 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' L' L ' 17' ' ' LEU . . . . . 0.58 ' HB2' ' O ' ' L' ' 13' ' ' GLU . 5.3 tt -88.38 -44.41 10.79 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 107.807 -1.182 . . . . 0.0 107.807 177.696 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 87.3 t -65.29 -39.09 84.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.802 178.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' L' L ' 19' ' ' CYS . . . . . 0.841 ' HB3' ' HB2' ' L' ' 22' ' ' ARG . 92.8 m -79.26 -20.74 47.38 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.063 179.52 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' L' L ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.99 -101.01 0.75 Allowed Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 121.107 -0.568 . . . . 0.0 112.171 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' L' L ' 21' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -97.97 1.43 47.9 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.283 0.563 . . . . 0.0 109.836 179.208 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' L' L ' 22' ' ' ARG . . . . . 0.841 ' HB2' ' HB3' ' L' ' 19' ' ' CYS . 45.8 mtp85 -88.15 151.01 23.01 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.219 178.747 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' L' L ' 23' ' ' GLY . . . . . 0.765 ' HA2' ' HD2' ' J' ' 28' ' ' PRO . . . -88.96 -168.11 43.63 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.49 -0.862 . . . . 0.0 112.461 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' L' L ' 24' ' ' PHE . . . . . 0.737 ' CE1' ' HB3' ' L' ' 16' ' ' TYR . 17.4 p90 -167.61 171.24 10.41 Favored 'General case' 0 C--O 1.24 0.582 0 CA-C-O 121.272 0.558 . . . . 0.0 110.94 179.643 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' L' L ' 25' ' ' PHE . . . . . 0.543 ' HD1' ' HD1' ' J' ' 25' ' ' PHE . 40.1 m-85 -109.96 136.24 49.55 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.087 179.291 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' L' L ' 26' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -134.05 121.2 21.21 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.493 -179.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' L' L ' 27' ' ' THR . . . . . 0.568 HG22 ' HA3' ' J' ' 23' ' ' GLY . 1.9 p -127.58 99.62 26.57 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.406 -179.439 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' L' L ' 28' ' ' PRO . . . . . 0.93 ' HG3' ' HB2' ' J' ' 16' ' ' TYR . 94.3 Cg_endo -78.99 51.42 3.85 Favored 'Trans proline' 0 C--O 1.234 0.282 0 C-N-CA 122.987 2.458 . . . . 0.0 112.025 179.305 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' L' L ' 29' ' ' LYS . . . . . 0.435 ' O ' ' HA3' ' K' ' 1' ' ' GLY . 20.5 ptmt . . . . . 0 C--N 1.32 -0.687 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.827 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.678 0 N-CA-C 111.939 -0.464 . . . . 0.0 111.939 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.418 HG23 HG23 ' A' ' 3' ' ' VAL . 4.7 tt -149.81 -41.98 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 120.805 0.336 . . . . 0.0 111.558 -179.591 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.819 HG21 ' HA ' ' B' ' 28' ' ' PRO . 3.1 t -82.44 -37.51 14.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -178.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -61.02 -44.0 98.05 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.494 -178.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.502 ' HG3' ' SG ' ' A' ' 11' ' ' CYS . 20.4 pt20 -73.59 -23.9 59.99 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -179.048 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 97.4 m -98.78 -33.4 10.92 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 113.725 1.009 . . . . 0.0 113.725 -177.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.588 ' HB2' HD11 ' B' ' 11' ' ' LEU . 48.9 t -76.3 0.05 20.74 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 -178.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.496 HG23 ' H ' ' A' ' 9' ' ' SER . 1.7 t -88.64 -63.91 1.23 Allowed 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.533 -0.467 . . . . 0.0 111.02 179.464 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.496 ' H ' HG23 ' A' ' 8' ' ' THR . 26.5 m -141.89 30.27 1.65 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 122.025 -0.422 . . . . 0.0 111.319 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.458 ' HB ' ' O ' ' A' ' 9' ' ' SER . 2.5 mp 71.42 144.57 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 CA-C-O 121.253 0.549 . . . . 0.0 111.384 179.378 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.502 ' SG ' ' HG3' ' A' ' 5' ' ' GLN . 88.6 m -102.27 167.46 9.97 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.107 0.48 . . . . 0.0 111.566 -179.377 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.605 ' HB3' ' HG3' ' A' ' 15' ' ' GLN . 40.0 t -79.9 154.52 28.28 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.62 178.446 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 22.0 tp -54.73 -45.54 74.1 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.524 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -66.32 -25.1 66.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.059 -0.519 . . . . 0.0 112.066 -178.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.605 ' HG3' ' HB3' ' A' ' 12' ' ' SER . 21.9 mt-30 -73.47 -39.67 64.72 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.929 0.395 . . . . 0.0 110.41 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 83.4 mt -68.22 -34.59 76.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.965 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -57.98 -24.69 59.13 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 115.813 -0.63 . . . . 0.0 112.167 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -72.25 -15.27 61.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.851 0.358 . . . . 0.0 111.192 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.5 ' HD1' ' HE1' ' B' ' 25' ' ' PHE . 59.8 m-85 -106.51 -2.95 21.4 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.921 0.391 . . . . 0.0 110.768 -179.288 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 12.3 t -74.89 149.51 39.46 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.108 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 . . . . . 0 C--O 1.252 1.2 0 CA-C-O 118.707 -0.663 . . . . 0.0 110.336 -179.44 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 7.4 p90 . . . . . 0 N--CA 1.487 1.398 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.72 HG11 HD12 ' B' ' 6' ' ' LEU . 26.2 m 39.63 -138.25 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 124.196 0.998 . . . . 0.0 113.267 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -157.95 -171.56 3.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.772 0.32 . . . . 0.0 110.513 -178.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . 0.513 HE21 ' HB ' ' A' ' 3' ' ' VAL . 30.2 tt0 -50.06 -34.1 20.5 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 124.297 1.039 . . . . 0.0 111.475 178.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . 0.468 ' HE1' ' HA2' ' D' ' 20' ' ' GLY . 55.5 t60 -58.32 -15.67 11.28 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.152 -0.931 . . . . 0.0 113.053 -178.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.752 HD21 ' H4 ' ' I' ' 22' ' ' IPH . 43.2 mt -127.18 -20.29 4.15 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.312 0.577 . . . . 0.0 110.959 179.193 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . 0.532 ' SG ' HG13 ' F' ' 2' ' ' VAL . 1.3 t -76.21 -33.08 59.26 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.475 179.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . 0.569 ' HA3' ' OH ' ' B' ' 26' ' ' TYR . . . -70.65 -22.14 77.94 Favored Glycine 0 N--CA 1.447 -0.588 0 CA-C-N 115.783 -0.644 . . . . 0.0 113.825 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . 0.876 ' HB2' ' HG2' ' D' ' 13' ' ' GLU . 18.2 p -66.0 -15.72 63.27 Favored 'General case' 0 C--O 1.225 -0.234 0 CA-C-N 117.274 0.537 . . . . 0.0 110.763 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -106.59 -20.59 13.32 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.609 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.588 HD11 ' HB2' ' A' ' 7' ' ' CYS . 73.4 mt -68.26 -37.32 80.62 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.299 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.612 ' HA ' ' HB2' ' B' ' 15' ' ' LEU . 4.9 m -67.33 -33.83 65.14 Favored 'Isoleucine or valine' 0 C--O 1.232 0.139 0 CA-C-N 115.085 -0.961 . . . . 0.0 111.647 179.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.877 ' HG2' ' HB2' ' D' ' 9' ' ' SER . 43.2 mt-10 -56.24 -41.86 76.41 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 121.136 0.493 . . . . 0.0 110.374 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.474 ' O ' HG23 ' B' ' 18' ' ' VAL . . . -81.42 -33.76 31.96 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.516 178.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.612 ' HB2' ' HA ' ' B' ' 12' ' ' VAL . 3.0 mt -55.26 -55.04 35.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.419 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . 0.764 ' HB3' ' CE1' ' B' ' 24' ' ' PHE . 6.7 p90 -76.57 -14.82 59.98 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 119.643 -0.823 . . . . 0.0 111.351 -179.324 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.54 HD23 HD23 ' H' ' 17' ' ' LEU . 33.2 tp -69.43 -34.29 74.22 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 177.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.474 HG23 ' O ' ' B' ' 14' ' ' ALA . 96.1 t -68.13 -46.39 81.47 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.371 178.296 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . 0.688 ' HB3' ' HB2' ' B' ' 22' ' ' ARG . 85.5 m -66.69 -43.0 85.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.082 179.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . 0.465 ' HA2' ' HE1' ' D' ' 5' ' ' HIS . . . 68.14 -87.18 0.18 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 121.423 -0.418 . . . . 0.0 112.895 179.552 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -88.69 -6.6 57.35 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.97 0.414 . . . . 0.0 110.449 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . 0.688 ' HB2' ' HB3' ' B' ' 19' ' ' CYS . 19.9 mtt85 -104.08 172.69 6.66 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.094 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . 0.825 ' HA2' ' HD2' ' D' ' 28' ' ' PRO . . . -112.89 -159.91 14.2 Favored Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 178.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . 0.764 ' CE1' ' HB3' ' B' ' 16' ' ' TYR . 8.4 p90 -173.44 158.44 3.48 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.025 0.441 . . . . 0.0 110.514 179.435 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . 0.5 ' HE1' ' HD1' ' A' ' 19' ' ' TYR . 4.1 p90 -104.44 124.45 49.26 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 178.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.569 ' OH ' ' HA3' ' B' ' 8' ' ' GLY . 78.6 t80 -116.21 123.64 48.27 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.0 -178.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . 0.444 HG22 ' HA3' ' D' ' 23' ' ' GLY . 6.7 p -126.51 97.33 34.0 Favored Pre-proline 0 C--N 1.317 -0.841 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.787 179.56 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . 0.823 ' HD2' ' HA2' ' D' ' 23' ' ' GLY . 59.9 Cg_endo -73.38 52.65 2.42 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 122.931 2.421 . . . . 0.0 111.331 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 30.1 tttt -117.79 -33.11 4.61 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 114.697 -1.138 . . . . 0.0 109.166 -179.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 7.0 m . . . . . 0 C--O 1.246 0.917 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 179.53 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.729 0 N-CA-C 111.939 -0.464 . . . . 0.0 111.939 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 4.7 tt -150.76 -41.55 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 120.637 0.256 . . . . 0.0 111.433 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 3' ' ' VAL . . . . . 0.834 HG21 ' HA ' ' D' ' 28' ' ' PRO . 3.2 t -82.59 -38.47 15.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 111.815 0.302 . . . . 0.0 111.815 -178.625 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -60.69 -44.42 96.57 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.386 -178.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 5' ' ' GLN . . . . . 0.485 ' HG3' ' SG ' ' C' ' 11' ' ' CYS . 19.3 pt20 -73.03 -21.77 60.75 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -178.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 92.7 m -101.23 -33.12 10.2 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 113.488 0.921 . . . . 0.0 113.488 -177.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 7' ' ' CYS . . . . . 0.591 ' HB2' HD11 ' D' ' 11' ' ' LEU . 48.6 t -76.3 0.42 19.41 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 111.825 0.306 . . . . 0.0 111.825 -178.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 8' ' ' THR . . . . . 0.487 HG23 ' H ' ' C' ' 9' ' ' SER . 1.4 t -88.9 -64.58 1.12 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 121.853 -0.529 . . . . 0.0 110.953 179.179 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 9' ' ' SER . . . . . 0.487 ' H ' HG23 ' C' ' 8' ' ' THR . 17.9 m -140.69 28.45 1.97 Allowed 'General case' 0 C--N 1.328 -0.341 0 O-C-N 122.038 -0.413 . . . . 0.0 111.681 -179.197 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . 0.471 ' HB ' ' O ' ' C' ' 9' ' ' SER . 2.5 mp 72.39 143.5 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 CA-C-O 121.101 0.476 . . . . 0.0 111.321 179.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 11' ' ' CYS . . . . . 0.485 ' SG ' ' HG3' ' C' ' 5' ' ' GLN . 86.4 m -101.04 167.88 9.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.001 0.429 . . . . 0.0 111.631 -179.382 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . 0.665 ' HB3' ' HG3' ' C' ' 15' ' ' GLN . 36.8 t -79.2 156.83 28.01 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.647 178.232 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 21.8 tp -57.36 -45.57 84.24 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.263 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -65.42 -26.33 67.92 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.91 -0.586 . . . . 0.0 112.207 -179.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . 0.665 ' HG3' ' HB3' ' C' ' 12' ' ' SER . 20.8 mt-30 -72.54 -41.01 66.27 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.774 0.321 . . . . 0.0 110.451 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 79.4 mt -67.01 -34.74 78.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.834 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -57.07 -25.57 58.92 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.669 -0.696 . . . . 0.0 112.4 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -71.61 -14.83 62.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.802 0.334 . . . . 0.0 111.432 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 19' ' ' TYR . . . . . 0.51 ' HD1' ' HE1' ' D' ' 25' ' ' PHE . 58.8 m-85 -106.91 -3.92 19.7 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.623 -179.153 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 11.6 t -73.85 149.55 41.5 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.26 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.666 -0.683 . . . . 0.0 110.857 -179.13 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 6.7 p90 . . . . . 0 N--CA 1.485 1.3 0 N-CA-C 111.738 0.273 . . . . 0.0 111.738 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 2' ' ' VAL . . . . . 0.727 HG11 HD12 ' D' ' 6' ' ' LEU . 24.1 m 39.54 -136.76 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 124.365 1.066 . . . . 0.0 113.437 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 3' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -158.98 -172.81 3.95 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 120.708 0.29 . . . . 0.0 110.42 -178.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 4' ' ' GLN . . . . . 0.549 HE21 ' HB ' ' C' ' 3' ' ' VAL . 30.7 tt0 -49.68 -33.93 17.1 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 124.28 1.032 . . . . 0.0 111.387 178.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 5' ' ' HIS . . . . . 0.465 ' HE1' ' HA2' ' B' ' 20' ' ' GLY . 55.6 t60 -58.47 -15.3 10.42 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 115.348 -0.842 . . . . 0.0 113.043 -178.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 6' ' ' LEU . . . . . 0.744 HD21 ' H4 ' ' G' ' 22' ' ' IPH . 37.5 mt -126.99 -21.24 4.02 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.306 0.574 . . . . 0.0 110.761 179.26 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 7' ' ' CYS . . . . . 0.526 ' SG ' HG13 ' L' ' 2' ' ' VAL . 1.1 t -75.47 -33.06 60.8 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.703 179.516 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 8' ' ' GLY . . . . . 0.572 ' HA3' ' OH ' ' D' ' 26' ' ' TYR . . . -70.42 -22.28 77.67 Favored Glycine 0 N--CA 1.446 -0.651 0 CA-C-N 115.717 -0.674 . . . . 0.0 113.703 -179.648 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 9' ' ' SER . . . . . 0.877 ' HB2' ' HG2' ' B' ' 13' ' ' GLU . 19.6 p -66.18 -15.6 63.28 Favored 'General case' 0 C--O 1.225 -0.195 0 CA-C-N 117.244 0.522 . . . . 0.0 110.721 -179.551 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 10' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -106.69 -20.63 13.29 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.612 -179.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 11' ' ' LEU . . . . . 0.591 HD11 ' HB2' ' C' ' 7' ' ' CYS . 73.9 mt -68.23 -37.13 80.51 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 177.267 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . 0.608 ' HA ' ' HB2' ' D' ' 15' ' ' LEU . 4.6 m -67.41 -33.74 64.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.076 -0.965 . . . . 0.0 111.744 179.554 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 13' ' ' GLU . . . . . 0.876 ' HG2' ' HB2' ' B' ' 9' ' ' SER . 43.9 mt-10 -56.52 -41.89 77.48 Favored 'General case' 0 N--CA 1.461 0.102 0 CA-C-O 121.183 0.516 . . . . 0.0 110.35 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 14' ' ' ALA . . . . . 0.483 ' O ' HG23 ' D' ' 18' ' ' VAL . . . -81.48 -33.26 32.08 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.583 178.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 15' ' ' LEU . . . . . 0.608 ' HB2' ' HA ' ' D' ' 12' ' ' VAL . 3.0 mt -55.81 -54.75 40.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.774 -0.648 . . . . 0.0 112.432 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 16' ' ' TYR . . . . . 0.75 ' HB3' ' CE1' ' D' ' 24' ' ' PHE . 6.5 p90 -76.72 -14.42 59.95 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 119.617 -0.833 . . . . 0.0 111.257 -179.202 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . 0.552 HD23 HD23 ' J' ' 17' ' ' LEU . 33.6 tp -70.02 -34.36 73.17 Favored 'General case' 0 C--O 1.232 0.179 0 N-CA-C 108.134 -1.061 . . . . 0.0 108.134 178.043 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . 0.483 HG23 ' O ' ' D' ' 14' ' ' ALA . 96.4 t -68.32 -44.02 84.0 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 114.876 -1.056 . . . . 0.0 109.636 178.216 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 19' ' ' CYS . . . . . 0.712 ' HB3' ' HB2' ' D' ' 22' ' ' ARG . 89.9 m -69.52 -42.38 74.77 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.936 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 20' ' ' GLY . . . . . 0.468 ' HA2' ' HE1' ' B' ' 5' ' ' HIS . . . 68.38 -86.56 0.19 Allowed Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 121.347 -0.454 . . . . 0.0 112.841 179.541 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -90.03 -4.76 57.22 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.999 0.428 . . . . 0.0 110.705 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 22' ' ' ARG . . . . . 0.712 ' HB2' ' HB3' ' D' ' 19' ' ' CYS . 20.4 mtt85 -105.91 172.71 6.66 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.792 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 23' ' ' GLY . . . . . 0.823 ' HA2' ' HD2' ' B' ' 28' ' ' PRO . . . -113.23 -159.35 13.61 Favored Glycine 0 N--CA 1.447 -0.608 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 178.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 24' ' ' PHE . . . . . 0.75 ' CE1' ' HB3' ' D' ' 16' ' ' TYR . 8.7 p90 -173.62 158.79 3.44 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 117.076 0.438 . . . . 0.0 110.321 179.593 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 25' ' ' PHE . . . . . 0.51 ' HE1' ' HD1' ' C' ' 19' ' ' TYR . 3.9 p90 -104.99 124.9 50.33 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 178.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 26' ' ' TYR . . . . . 0.572 ' OH ' ' HA3' ' D' ' 8' ' ' GLY . 78.6 t80 -116.73 122.71 45.28 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.237 -178.414 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 27' ' ' THR . . . . . 0.447 HG22 ' HA3' ' B' ' 23' ' ' GLY . 6.8 p -125.79 97.29 36.14 Favored Pre-proline 0 C--N 1.313 -0.998 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.828 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 28' ' ' PRO . . . . . 0.834 ' HA ' HG21 ' C' ' 3' ' ' VAL . 59.5 Cg_endo -72.9 50.85 1.85 Allowed 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 123.046 2.498 . . . . 0.0 111.656 179.431 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 28.2 tttt -115.11 -35.01 4.84 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 114.763 -1.108 . . . . 0.0 109.159 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 8.8 m . . . . . 0 C--O 1.246 0.899 0 CA-C-O 117.994 -1.003 . . . . 0.0 108.32 179.544 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.841 0 N-CA-C 111.886 -0.486 . . . . 0.0 111.886 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' E' E ' 2' ' ' ILE . . . . . 0.409 HG23 HG23 ' E' ' 3' ' ' VAL . 4.9 tt -149.42 -41.55 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 120.773 0.32 . . . . 0.0 111.603 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 3' ' ' VAL . . . . . 0.812 HG21 ' HA ' ' F' ' 28' ' ' PRO . 3.2 t -82.59 -37.9 14.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -178.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 4' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -60.69 -46.37 90.63 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.109 -179.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 5' ' ' GLN . . . . . 0.49 ' HG3' ' SG ' ' E' ' 11' ' ' CYS . 19.7 pt20 -71.05 -22.7 62.1 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -178.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 6' ' ' CYS . . . . . . . . . . . . . 94.1 m -100.27 -33.49 10.39 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 -177.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 7' ' ' CYS . . . . . 0.592 ' HB2' HD11 ' F' ' 11' ' ' LEU . 49.0 t -76.53 0.69 19.02 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -178.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 8' ' ' THR . . . . . 0.55 HG23 ' H ' ' E' ' 9' ' ' SER . 1.7 t -88.8 -65.69 0.99 Allowed 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.684 179.228 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 9' ' ' SER . . . . . 0.55 ' H ' HG23 ' E' ' 8' ' ' THR . 22.1 m -139.8 29.86 2.09 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 122.354 -0.216 . . . . 0.0 111.575 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 10' ' ' ILE . . . . . 0.477 ' HB ' ' O ' ' E' ' 9' ' ' SER . 2.4 mp 71.79 145.39 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.236 179.654 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 11' ' ' CYS . . . . . 0.49 ' SG ' ' HG3' ' E' ' 5' ' ' GLN . 94.1 m -102.74 168.48 9.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.228 0.537 . . . . 0.0 111.79 -179.441 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 12' ' ' SER . . . . . 0.654 ' HB3' ' HG3' ' E' ' 15' ' ' GLN . 38.1 t -80.45 154.62 27.52 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.584 178.474 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 21.6 tp -54.92 -45.86 74.84 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.071 0.462 . . . . 0.0 111.301 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -65.73 -25.76 67.44 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.027 -0.533 . . . . 0.0 112.184 -178.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . 0.654 ' HG3' ' HB3' ' E' ' 12' ' ' SER . 21.6 mt-30 -72.89 -40.47 65.56 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.812 0.339 . . . . 0.0 110.369 179.735 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 16' ' ' LEU . . . . . . . . . . . . . 82.5 mt -67.65 -34.73 77.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.853 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 17' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -57.12 -26.32 60.31 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.07 -0.514 . . . . 0.0 112.303 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 18' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -70.95 -14.69 62.45 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.81 0.338 . . . . 0.0 111.539 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 19' ' ' TYR . . . . . 0.496 ' HD1' ' HE1' ' F' ' 25' ' ' PHE . 59.7 m-85 -107.29 -3.32 19.82 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.88 0.371 . . . . 0.0 110.925 -179.245 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 20' ' ' CYS . . . . . . . . . . . . . 12.4 t -74.44 149.43 40.4 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.149 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 21' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 . . . . . 0 C--O 1.253 1.252 0 CA-C-O 118.617 -0.706 . . . . 0.0 110.086 -179.535 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' F' F ' 1' ' ' PHE . . . . . . . . . . . . . 7.7 p90 . . . . . 0 N--CA 1.486 1.325 0 N-CA-C 111.717 0.265 . . . . 0.0 111.717 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' F' F ' 2' ' ' VAL . . . . . 0.713 HG11 HD12 ' F' ' 6' ' ' LEU . 24.6 m 40.07 -136.9 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 124.287 1.035 . . . . 0.0 113.245 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 3' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -159.13 -172.98 3.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.791 0.329 . . . . 0.0 110.39 -178.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 4' ' ' GLN . . . . . 0.519 HE21 ' HB ' ' E' ' 3' ' ' VAL . 29.8 tt0 -49.41 -33.44 13.91 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 124.198 0.999 . . . . 0.0 111.538 178.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 5' ' ' HIS . . . . . 0.456 ' HE1' ' HA2' ' H' ' 20' ' ' GLY . 56.8 t60 -58.7 -15.6 12.67 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 115.292 -0.867 . . . . 0.0 112.901 -178.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 6' ' ' LEU . . . . . 0.775 HD21 ' H4 ' ' A' ' 22' ' ' IPH . 41.8 mt -127.03 -20.88 4.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.368 0.604 . . . . 0.0 110.936 179.083 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 7' ' ' CYS . . . . . 0.518 ' SG ' HG13 ' J' ' 2' ' ' VAL . 1.3 t -75.54 -33.75 60.71 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.539 179.567 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 8' ' ' GLY . . . . . 0.58 ' HA3' ' OH ' ' F' ' 26' ' ' TYR . . . -69.86 -22.42 76.97 Favored Glycine 0 N--CA 1.445 -0.733 0 CA-C-N 115.954 -0.567 . . . . 0.0 113.798 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 9' ' ' SER . . . . . 0.88 ' HB2' ' HG2' ' H' ' 13' ' ' GLU . 19.5 p -65.85 -16.15 63.57 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 121.196 0.522 . . . . 0.0 110.829 -179.605 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 10' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -106.26 -20.46 13.39 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.659 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 11' ' ' LEU . . . . . 0.592 HD11 ' HB2' ' E' ' 7' ' ' CYS . 72.7 mt -68.49 -37.15 79.85 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 177.262 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 12' ' ' VAL . . . . . 0.619 ' HA ' ' HB2' ' F' ' 15' ' ' LEU . 4.8 m -67.49 -33.43 62.25 Favored 'Isoleucine or valine' 0 C--O 1.232 0.171 0 CA-C-N 115.098 -0.955 . . . . 0.0 111.688 179.444 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 13' ' ' GLU . . . . . 0.877 ' HG2' ' HB2' ' H' ' 9' ' ' SER . 43.3 mt-10 -56.51 -42.08 77.79 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 121.331 0.586 . . . . 0.0 110.333 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 14' ' ' ALA . . . . . 0.486 ' O ' HG23 ' F' ' 18' ' ' VAL . . . -81.23 -33.29 32.94 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.679 178.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 15' ' ' LEU . . . . . 0.619 ' HB2' ' HA ' ' F' ' 12' ' ' VAL . 3.0 mt -55.9 -54.71 41.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.495 -179.703 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 16' ' ' TYR . . . . . 0.765 ' HB3' ' CE1' ' F' ' 24' ' ' PHE . 6.6 p90 -76.46 -15.15 59.98 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 119.752 -0.779 . . . . 0.0 111.08 -179.347 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 17' ' ' LEU . . . . . 0.542 HD23 HD23 ' L' ' 17' ' ' LEU . 32.6 tp -69.07 -35.0 76.06 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 177.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . 0.486 HG23 ' O ' ' F' ' 14' ' ' ALA . 94.0 t -67.77 -45.61 84.09 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.516 178.228 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 19' ' ' CYS . . . . . 0.668 ' HB3' ' HB2' ' F' ' 22' ' ' ARG . 87.8 m -67.62 -43.21 80.94 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.053 179.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 20' ' ' GLY . . . . . 0.421 ' HA2' ' HE1' ' H' ' 5' ' ' HIS . . . 68.41 -87.43 0.2 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 121.355 -0.45 . . . . 0.0 112.957 179.459 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 21' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -88.74 -5.36 58.14 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.019 0.438 . . . . 0.0 110.583 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 22' ' ' ARG . . . . . 0.668 ' HB2' ' HB3' ' F' ' 19' ' ' CYS . 18.9 mtt85 -105.41 172.27 6.88 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.937 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 23' ' ' GLY . . . . . 0.823 ' HA2' ' HD2' ' H' ' 28' ' ' PRO . . . -112.57 -159.29 14.23 Favored Glycine 0 C--O 1.226 -0.387 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 178.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 24' ' ' PHE . . . . . 0.765 ' CE1' ' HB3' ' F' ' 16' ' ' TYR . 8.9 p90 -173.79 158.65 3.3 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.052 0.453 . . . . 0.0 110.451 179.505 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 25' ' ' PHE . . . . . 0.496 ' HE1' ' HD1' ' E' ' 19' ' ' TYR . 3.8 p90 -104.75 124.33 49.21 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 178.658 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 26' ' ' TYR . . . . . 0.58 ' OH ' ' HA3' ' F' ' 8' ' ' GLY . 79.3 t80 -116.12 122.85 46.34 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.149 -178.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 27' ' ' THR . . . . . 0.471 HG22 ' HA3' ' H' ' 23' ' ' GLY . 3.2 p -125.67 97.46 36.14 Favored Pre-proline 0 C--N 1.314 -0.95 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.701 179.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 28' ' ' PRO . . . . . 0.851 ' HD2' ' HA2' ' H' ' 23' ' ' GLY . 61.0 Cg_endo -73.65 52.9 2.59 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 122.863 2.375 . . . . 0.0 111.396 179.578 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 29' ' ' LYS . . . . . . . . . . . . . 28.5 tttt -117.16 -34.92 4.2 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.88 -1.054 . . . . 0.0 108.964 -179.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 30' ' ' THR . . . . . . . . . . . . . 9.2 m . . . . . 0 C--O 1.245 0.848 0 CA-C-O 118.114 -0.946 . . . . 0.0 108.581 179.567 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' G' G ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.586 0 N-CA-C 111.762 -0.535 . . . . 0.0 111.762 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' G' G ' 2' ' ' ILE . . . . . 0.4 HG23 HG23 ' G' ' 3' ' ' VAL . 4.7 tt -150.46 -41.47 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.694 0.283 . . . . 0.0 111.413 179.717 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 3' ' ' VAL . . . . . 0.816 HG21 ' HA ' ' H' ' 28' ' ' PRO . 3.3 t -82.53 -38.86 15.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -178.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 4' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -60.06 -45.24 93.54 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.586 0.232 . . . . 0.0 111.381 -178.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 5' ' ' GLN . . . . . 0.463 ' HG3' ' SG ' ' G' ' 11' ' ' CYS . 19.5 pt20 -71.98 -22.26 61.46 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 -178.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 6' ' ' CYS . . . . . . . . . . . . . 91.1 m -100.64 -33.73 10.17 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 113.539 0.94 . . . . 0.0 113.539 -177.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 7' ' ' CYS . . . . . 0.59 ' HB2' HD11 ' H' ' 11' ' ' LEU . 47.7 t -75.73 -0.09 19.68 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -178.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 8' ' ' THR . . . . . 0.514 HG23 ' H ' ' G' ' 9' ' ' SER . 1.7 t -88.29 -65.18 1.04 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 121.923 -0.486 . . . . 0.0 110.806 179.311 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 9' ' ' SER . . . . . 0.514 ' H ' HG23 ' G' ' 8' ' ' THR . 19.9 m -140.71 29.97 1.9 Allowed 'General case' 0 C--N 1.328 -0.329 0 O-C-N 122.238 -0.289 . . . . 0.0 111.681 -179.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 10' ' ' ILE . . . . . 0.453 ' HB ' ' O ' ' G' ' 9' ' ' SER . 2.5 mp 71.58 144.26 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.663 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.247 179.529 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 11' ' ' CYS . . . . . 0.463 ' SG ' ' HG3' ' G' ' 5' ' ' GLN . 86.2 m -101.54 169.28 8.95 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.068 0.461 . . . . 0.0 111.766 -179.321 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 12' ' ' SER . . . . . 0.652 ' HB3' ' HG3' ' G' ' 15' ' ' GLN . 31.5 t -80.37 156.3 26.76 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.558 178.44 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 13' ' ' LEU . . . . . . . . . . . . . 21.5 tp -57.56 -45.25 85.38 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.08 0.466 . . . . 0.0 111.242 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -65.75 -25.5 67.3 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.91 -0.587 . . . . 0.0 112.103 -179.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 15' ' ' GLN . . . . . 0.652 ' HG3' ' HB3' ' G' ' 12' ' ' SER . 21.7 mt-30 -73.45 -39.62 64.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.797 0.332 . . . . 0.0 110.614 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 16' ' ' LEU . . . . . . . . . . . . . 82.8 mt -68.54 -34.46 75.9 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.845 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 17' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -58.1 -24.43 58.65 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.858 -0.61 . . . . 0.0 112.264 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 18' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -71.64 -15.89 62.25 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.825 0.345 . . . . 0.0 111.138 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 19' ' ' TYR . . . . . 0.5 ' HD1' ' HE1' ' H' ' 25' ' ' PHE . 59.5 m-85 -106.24 -2.47 22.36 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.876 0.369 . . . . 0.0 110.963 -179.128 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 20' ' ' CYS . . . . . . . . . . . . . 12.1 t -74.59 150.15 39.81 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.182 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 21' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.702 -0.666 . . . . 0.0 110.52 -179.248 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' H' H ' 1' ' ' PHE . . . . . . . . . . . . . 6.9 p90 . . . . . 0 N--CA 1.482 1.168 0 N-CA-C 111.642 0.238 . . . . 0.0 111.642 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' H' H ' 2' ' ' VAL . . . . . 0.714 HG11 HD12 ' H' ' 6' ' ' LEU . 27.5 m 39.4 -138.49 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 C-N-CA 124.149 0.98 . . . . 0.0 113.438 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 3' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -157.41 -171.89 3.77 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.686 0.279 . . . . 0.0 110.4 -178.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 4' ' ' GLN . . . . . 0.559 HE21 ' HB ' ' G' ' 3' ' ' VAL . 31.5 tt0 -49.92 -34.56 20.9 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 124.359 1.064 . . . . 0.0 111.397 178.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 5' ' ' HIS . . . . . 0.421 ' HE1' ' HA2' ' F' ' 20' ' ' GLY . 57.4 t60 -57.62 -15.75 8.43 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 115.175 -0.92 . . . . 0.0 113.068 -178.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 6' ' ' LEU . . . . . 0.77 HD21 ' H4 ' ' K' ' 22' ' ' IPH . 40.5 mt -126.99 -20.98 4.07 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.423 0.63 . . . . 0.0 110.611 179.32 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 7' ' ' CYS . . . . . 0.523 ' SG ' HG13 ' D' ' 2' ' ' VAL . 1.4 t -75.54 -33.83 60.7 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.612 179.591 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 8' ' ' GLY . . . . . 0.57 ' HA3' ' OH ' ' H' ' 26' ' ' TYR . . . -69.68 -22.56 76.79 Favored Glycine 0 N--CA 1.444 -0.783 0 CA-C-N 115.746 -0.661 . . . . 0.0 113.702 -179.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 9' ' ' SER . . . . . 0.877 ' HB2' ' HG2' ' F' ' 13' ' ' GLU . 19.6 p -66.01 -15.74 63.29 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 117.43 0.615 . . . . 0.0 110.795 -179.438 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 10' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -106.42 -20.94 13.23 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.682 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 11' ' ' LEU . . . . . 0.59 HD11 ' HB2' ' G' ' 7' ' ' CYS . 72.9 mt -68.01 -37.42 81.41 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 177.187 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 12' ' ' VAL . . . . . 0.604 ' HA ' ' HB2' ' H' ' 15' ' ' LEU . 4.6 m -67.14 -33.67 64.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.043 -0.98 . . . . 0.0 111.7 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 13' ' ' GLU . . . . . 0.88 ' HG2' ' HB2' ' F' ' 9' ' ' SER . 43.2 mt-10 -56.55 -41.92 77.66 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-O 121.27 0.557 . . . . 0.0 110.368 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 14' ' ' ALA . . . . . 0.466 ' O ' HG23 ' H' ' 18' ' ' VAL . . . -81.34 -33.58 32.35 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.627 179.008 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 15' ' ' LEU . . . . . 0.604 ' HB2' ' HA ' ' H' ' 12' ' ' VAL . 2.9 mt -55.68 -54.75 40.45 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.694 -0.684 . . . . 0.0 112.39 -179.705 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 16' ' ' TYR . . . . . 0.766 ' HB3' ' CE1' ' H' ' 24' ' ' PHE . 6.5 p90 -76.63 -14.74 59.96 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 119.724 -0.79 . . . . 0.0 111.092 -179.284 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 17' ' ' LEU . . . . . 0.54 HD23 HD23 ' B' ' 17' ' ' LEU . 31.7 tp -69.76 -33.77 72.88 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 108.388 -0.968 . . . . 0.0 108.388 177.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . 0.466 HG23 ' O ' ' H' ' 14' ' ' ALA . 92.1 t -68.84 -45.11 81.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.452 178.231 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 19' ' ' CYS . . . . . 0.706 ' HB3' ' HB2' ' H' ' 22' ' ' ARG . 88.9 m -68.41 -42.47 78.94 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.919 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 20' ' ' GLY . . . . . 0.456 ' HA2' ' HE1' ' F' ' 5' ' ' HIS . . . 68.13 -86.61 0.18 Allowed Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 121.415 -0.422 . . . . 0.0 112.932 179.474 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 21' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -88.88 -6.94 56.97 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.977 0.418 . . . . 0.0 110.619 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 22' ' ' ARG . . . . . 0.706 ' HB2' ' HB3' ' H' ' 19' ' ' CYS . 19.1 mtt85 -103.79 173.19 6.41 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.169 -179.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 23' ' ' GLY . . . . . 0.851 ' HA2' ' HD2' ' F' ' 28' ' ' PRO . . . -113.63 -159.6 13.43 Favored Glycine 0 N--CA 1.446 -0.659 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 178.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 24' ' ' PHE . . . . . 0.766 ' CE1' ' HB3' ' H' ' 16' ' ' TYR . 8.9 p90 -173.57 159.24 3.56 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 117.258 0.529 . . . . 0.0 110.392 179.446 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 25' ' ' PHE . . . . . 0.5 ' HE1' ' HD1' ' G' ' 19' ' ' TYR . 3.9 p90 -105.58 123.61 48.2 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 178.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 26' ' ' TYR . . . . . 0.57 ' OH ' ' HA3' ' H' ' 8' ' ' GLY . 76.5 t80 -115.66 123.1 47.51 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.978 -178.377 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 27' ' ' THR . . . . . 0.483 HG22 ' HA3' ' F' ' 23' ' ' GLY . 5.8 p -126.25 97.53 34.34 Favored Pre-proline 0 C--N 1.316 -0.857 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.768 179.587 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 28' ' ' PRO . . . . . 0.823 ' HD2' ' HA2' ' F' ' 23' ' ' GLY . 61.1 Cg_endo -73.3 52.28 2.31 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 123.06 2.506 . . . . 0.0 111.421 179.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 29' ' ' LYS . . . . . . . . . . . . . 29.6 tttt -117.75 -31.95 4.98 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 114.793 -1.094 . . . . 0.0 109.348 -178.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 30' ' ' THR . . . . . . . . . . . . . 8.3 m . . . . . 0 C--O 1.248 1.003 0 CA-C-O 117.936 -1.031 . . . . 0.0 108.382 179.388 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' I' I ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.378 0 N-CA-C 111.827 -0.509 . . . . 0.0 111.827 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' I' I ' 2' ' ' ILE . . . . . 0.4 HG23 HG23 ' I' ' 3' ' ' VAL . 4.4 tt -150.16 -41.05 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 120.851 0.358 . . . . 0.0 111.416 179.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 3' ' ' VAL . . . . . 0.822 HG21 ' HA ' ' J' ' 28' ' ' PRO . 3.5 t -83.05 -37.97 14.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -178.59 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 4' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -61.35 -44.57 96.95 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.597 0.237 . . . . 0.0 111.101 -178.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 5' ' ' GLN . . . . . 0.491 ' HG3' ' SG ' ' I' ' 11' ' ' CYS . 19.7 pt20 -72.59 -21.66 61.1 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -178.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 6' ' ' CYS . . . . . . . . . . . . . 92.1 m -100.89 -33.57 10.15 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 -177.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 7' ' ' CYS . . . . . 0.577 ' HB2' HD11 ' J' ' 11' ' ' LEU . 49.4 t -76.42 1.25 16.94 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -178.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 8' ' ' THR . . . . . 0.505 HG23 ' H ' ' I' ' 9' ' ' SER . 1.4 t -89.86 -64.07 1.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 121.909 -0.495 . . . . 0.0 110.815 179.323 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 9' ' ' SER . . . . . 0.505 ' H ' HG23 ' I' ' 8' ' ' THR . 16.6 m -140.9 28.91 1.9 Allowed 'General case' 0 C--N 1.328 -0.369 0 O-C-N 122.205 -0.31 . . . . 0.0 111.569 -179.425 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 10' ' ' ILE . . . . . 0.464 ' HB ' ' O ' ' I' ' 9' ' ' SER . 2.5 mp 71.88 144.35 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 CA-C-O 121.162 0.506 . . . . 0.0 111.256 179.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 11' ' ' CYS . . . . . 0.491 ' SG ' ' HG3' ' I' ' 5' ' ' GLN . 87.6 m -101.63 168.48 9.45 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.164 0.507 . . . . 0.0 111.576 -179.282 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 12' ' ' SER . . . . . 0.648 ' HB3' ' HG3' ' I' ' 15' ' ' GLN . 41.7 t -80.46 155.33 27.12 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.519 178.497 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 13' ' ' LEU . . . . . . . . . . . . . 21.8 tp -55.73 -45.7 77.92 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.415 -179.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -65.56 -26.08 67.71 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.992 -0.549 . . . . 0.0 112.25 -178.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 15' ' ' GLN . . . . . 0.648 ' HG3' ' HB3' ' I' ' 12' ' ' SER . 21.4 mt-30 -72.53 -41.02 66.29 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.715 0.293 . . . . 0.0 110.363 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 16' ' ' LEU . . . . . . . . . . . . . 82.8 mt -66.78 -35.1 79.29 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.914 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 17' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -57.07 -25.7 59.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.669 -0.696 . . . . 0.0 112.454 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 18' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -71.48 -15.26 62.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.839 0.352 . . . . 0.0 111.365 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 19' ' ' TYR . . . . . 0.508 ' HD1' ' HE1' ' J' ' 25' ' ' PHE . 60.8 m-85 -106.55 -3.63 20.58 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.949 0.404 . . . . 0.0 110.842 -179.056 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 20' ' ' CYS . . . . . . . . . . . . . 11.8 t -73.8 151.76 40.49 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.079 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 21' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.748 -0.644 . . . . 0.0 110.205 -179.514 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' J' J ' 1' ' ' PHE . . . . . . . . . . . . . 7.5 p90 . . . . . 0 N--CA 1.488 1.435 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' J' J ' 2' ' ' VAL . . . . . 0.72 HG11 HD12 ' J' ' 6' ' ' LEU . 27.4 m 39.47 -138.21 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 124.119 0.968 . . . . 0.0 113.26 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 3' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -158.21 -171.93 3.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.821 0.344 . . . . 0.0 110.449 -178.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 4' ' ' GLN . . . . . 0.515 HE21 ' HB ' ' I' ' 3' ' ' VAL . 30.8 tt0 -49.51 -34.58 17.59 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 124.375 1.07 . . . . 0.0 111.398 178.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 5' ' ' HIS . . . . . 0.418 ' HE1' ' HA2' ' L' ' 20' ' ' GLY . 56.4 t60 -57.83 -15.87 9.75 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 115.205 -0.907 . . . . 0.0 113.058 -178.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 6' ' ' LEU . . . . . 0.767 HD21 ' H4 ' ' E' ' 22' ' ' IPH . 43.7 mt -126.84 -20.73 4.18 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.385 0.612 . . . . 0.0 110.707 179.155 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 7' ' ' CYS . . . . . 0.523 ' SG ' HG13 ' B' ' 2' ' ' VAL . 1.3 t -75.84 -33.31 60.03 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.495 179.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 8' ' ' GLY . . . . . 0.571 ' HA3' ' OH ' ' J' ' 26' ' ' TYR . . . -70.58 -21.81 77.78 Favored Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.937 -0.649 . . . . 0.0 113.89 -179.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 9' ' ' SER . . . . . 0.869 ' HB2' ' HG2' ' L' ' 13' ' ' GLU . 19.5 p -66.3 -15.9 63.6 Favored 'General case' 0 C--O 1.225 -0.209 0 CA-C-N 117.294 0.547 . . . . 0.0 110.737 -179.529 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 10' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -106.3 -20.87 13.26 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.806 -179.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 11' ' ' LEU . . . . . 0.577 HD11 ' HB2' ' I' ' 7' ' ' CYS . 73.5 mt -68.07 -37.23 81.01 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 177.168 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 12' ' ' VAL . . . . . 0.628 ' HA ' ' HB2' ' J' ' 15' ' ' LEU . 5.0 m -67.36 -33.49 62.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 115.01 -0.996 . . . . 0.0 111.761 179.535 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 13' ' ' GLU . . . . . 0.874 ' HG2' ' HB2' ' L' ' 9' ' ' SER . 43.9 mt-10 -56.69 -42.09 78.5 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 121.249 0.547 . . . . 0.0 110.234 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 14' ' ' ALA . . . . . 0.455 ' O ' HG23 ' J' ' 18' ' ' VAL . . . -81.27 -33.37 32.76 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.515 179.003 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 15' ' ' LEU . . . . . 0.628 ' HB2' ' HA ' ' J' ' 12' ' ' VAL . 3.1 mt -55.66 -54.71 40.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.834 -0.621 . . . . 0.0 112.496 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 16' ' ' TYR . . . . . 0.75 ' HB3' ' CE1' ' J' ' 24' ' ' PHE . 6.7 p90 -76.64 -14.47 59.97 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 119.492 -0.883 . . . . 0.0 111.248 -179.289 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 17' ' ' LEU . . . . . 0.552 HD23 HD23 ' D' ' 17' ' ' LEU . 34.7 tp -69.54 -35.29 75.3 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 178.115 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 18' ' ' VAL . . . . . 0.455 HG23 ' O ' ' J' ' 14' ' ' ALA . 94.3 t -67.34 -45.38 86.01 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.124 0 CA-C-N 114.867 -1.06 . . . . 0.0 109.475 178.37 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 19' ' ' CYS . . . . . 0.687 ' HB3' ' HB2' ' J' ' 22' ' ' ARG . 85.7 m -67.72 -43.99 78.7 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.911 179.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 20' ' ' GLY . . . . . 0.469 ' HA2' ' HE1' ' L' ' 5' ' ' HIS . . . 69.77 -86.58 0.28 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 121.35 -0.453 . . . . 0.0 112.62 179.372 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 21' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -89.82 -5.89 56.44 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.112 0.482 . . . . 0.0 110.573 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 22' ' ' ARG . . . . . 0.687 ' HB2' ' HB3' ' J' ' 19' ' ' CYS . 19.3 mtt85 -104.48 173.06 6.46 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.903 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 23' ' ' GLY . . . . . 0.84 ' HA2' ' HD2' ' L' ' 28' ' ' PRO . . . -113.28 -159.33 13.56 Favored Glycine 0 N--CA 1.447 -0.587 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 178.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 24' ' ' PHE . . . . . 0.75 ' CE1' ' HB3' ' J' ' 16' ' ' TYR . 8.3 p90 -173.91 158.56 3.21 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 117.221 0.51 . . . . 0.0 110.401 179.545 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 25' ' ' PHE . . . . . 0.508 ' HE1' ' HD1' ' I' ' 19' ' ' TYR . 3.8 p90 -105.42 121.78 44.62 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.363 0.601 . . . . 0.0 109.815 178.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 26' ' ' TYR . . . . . 0.571 ' OH ' ' HA3' ' J' ' 8' ' ' GLY . 76.4 t80 -113.32 124.2 51.92 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.077 -178.633 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 27' ' ' THR . . . . . 0.501 HG22 ' HA3' ' L' ' 23' ' ' GLY . 3.2 p -127.38 97.43 31.25 Favored Pre-proline 0 C--N 1.318 -0.785 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.671 179.503 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 28' ' ' PRO . . . . . 0.822 ' HA ' HG21 ' I' ' 3' ' ' VAL . 60.3 Cg_endo -73.54 53.36 2.65 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 123.049 2.499 . . . . 0.0 111.329 179.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 29' ' ' LYS . . . . . . . . . . . . . 30.5 tttt -118.09 -33.11 4.53 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.607 -1.178 . . . . 0.0 109.177 -179.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 30' ' ' THR . . . . . . . . . . . . . 9.2 m . . . . . 0 C--O 1.245 0.846 0 CA-C-O 118.2 -0.905 . . . . 0.0 108.692 179.716 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.297 0 N-CA-C 111.824 -0.51 . . . . 0.0 111.824 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' K' K ' 2' ' ' ILE . . . . . . . . . . . . . 4.3 tt -150.94 -40.82 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 C-N-CA 121.014 -0.274 . . . . 0.0 111.546 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 3' ' ' VAL . . . . . 0.817 HG21 ' HA ' ' L' ' 28' ' ' PRO . 3.2 t -83.12 -38.34 14.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -178.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 4' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -60.48 -44.07 96.3 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.869 0.366 . . . . 0.0 111.334 -179.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 5' ' ' GLN . . . . . 0.484 ' HG3' ' SG ' ' K' ' 11' ' ' CYS . 19.1 pt20 -73.35 -22.7 60.24 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 -179.035 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 6' ' ' CYS . . . . . . . . . . . . . 93.7 m -100.3 -32.9 10.63 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 113.464 0.913 . . . . 0.0 113.464 -177.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 7' ' ' CYS . . . . . 0.582 ' HB2' HD11 ' L' ' 11' ' ' LEU . 49.5 t -76.88 1.79 16.5 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -178.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 8' ' ' THR . . . . . 0.52 HG23 ' H ' ' K' ' 9' ' ' SER . 1.7 t -90.15 -65.18 1.04 Allowed 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.355 -0.538 . . . . 0.0 110.578 179.266 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 9' ' ' SER . . . . . 0.52 ' H ' HG23 ' K' ' 8' ' ' THR . 24.3 m -140.19 30.7 1.97 Allowed 'General case' 0 C--N 1.328 -0.341 0 O-C-N 122.178 -0.326 . . . . 0.0 111.606 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 10' ' ' ILE . . . . . 0.444 HG23 ' C1 ' ' K' ' 22' ' ' IPH . 2.5 mp 70.97 144.47 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 CA-C-O 121.431 0.634 . . . . 0.0 111.474 179.441 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 11' ' ' CYS . . . . . 0.484 ' SG ' ' HG3' ' K' ' 5' ' ' GLN . 89.1 m -101.66 168.14 9.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.198 0.523 . . . . 0.0 111.793 -179.458 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 12' ' ' SER . . . . . 0.621 ' HB3' ' HG3' ' K' ' 15' ' ' GLN . 29.1 t -80.36 154.72 27.57 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.626 -0.716 . . . . 0.0 109.485 178.551 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 13' ' ' LEU . . . . . . . . . . . . . 21.2 tp -55.3 -45.82 76.26 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.419 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -65.47 -25.86 67.68 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.143 -178.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 15' ' ' GLN . . . . . 0.621 ' HG3' ' HB3' ' K' ' 12' ' ' SER . 21.8 mt-30 -73.14 -40.16 65.1 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.649 0.261 . . . . 0.0 110.377 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 16' ' ' LEU . . . . . . . . . . . . . 80.7 mt -67.67 -35.0 78.05 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.082 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 17' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -57.54 -24.44 56.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.699 -0.682 . . . . 0.0 112.239 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 18' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -71.65 -15.89 62.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.825 0.345 . . . . 0.0 111.152 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 19' ' ' TYR . . . . . 0.511 ' HD1' ' HE1' ' L' ' 25' ' ' PHE . 58.0 m-85 -106.31 -3.23 21.4 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.982 -179.071 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 20' ' ' CYS . . . . . . . . . . . . . 11.6 t -74.26 149.16 40.9 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.206 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 21' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 . . . . . 0 C--O 1.25 1.126 0 CA-C-O 118.679 -0.677 . . . . 0.0 110.105 -179.463 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' L' L ' 1' ' ' PHE . . . . . . . . . . . . . 6.6 p90 . . . . . 0 N--CA 1.485 1.289 0 N-CA-C 111.814 0.301 . . . . 0.0 111.814 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' L' L ' 2' ' ' VAL . . . . . 0.714 HG11 HD12 ' L' ' 6' ' ' LEU . 27.3 m 39.08 -137.17 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 124.274 1.029 . . . . 0.0 113.345 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 3' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -159.16 -172.34 3.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.741 0.305 . . . . 0.0 110.393 -178.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 4' ' ' GLN . . . . . 0.531 HE21 ' HB ' ' K' ' 3' ' ' VAL . 30.8 tt0 -49.43 -33.94 15.33 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 124.301 1.04 . . . . 0.0 111.49 179.041 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 5' ' ' HIS . . . . . 0.469 ' HE1' ' HA2' ' J' ' 20' ' ' GLY . 56.8 t60 -58.55 -15.52 11.66 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 115.342 -0.844 . . . . 0.0 112.998 -178.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 6' ' ' LEU . . . . . 0.761 HD21 ' H4 ' ' C' ' 22' ' ' IPH . 42.5 mt -126.8 -21.34 4.07 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.364 0.602 . . . . 0.0 110.818 179.18 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 7' ' ' CYS . . . . . 0.536 ' SG ' HG13 ' H' ' 2' ' ' VAL . 1.4 t -75.4 -33.43 60.98 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.585 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 8' ' ' GLY . . . . . 0.573 ' HA3' ' OH ' ' L' ' 26' ' ' TYR . . . -70.14 -22.77 77.43 Favored Glycine 0 N--CA 1.447 -0.584 0 CA-C-N 115.716 -0.675 . . . . 0.0 113.729 -179.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 9' ' ' SER . . . . . 0.874 ' HB2' ' HG2' ' J' ' 13' ' ' GLU . 19.9 p -65.79 -16.0 63.4 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 117.297 0.548 . . . . 0.0 110.752 -179.552 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 10' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -106.1 -20.96 13.25 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.752 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 11' ' ' LEU . . . . . 0.582 HD11 ' HB2' ' K' ' 7' ' ' CYS . 72.6 mt -68.06 -37.46 81.31 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 177.253 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 12' ' ' VAL . . . . . 0.642 ' HA ' ' HB2' ' L' ' 15' ' ' LEU . 4.8 m -67.21 -33.27 61.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 115.074 -0.966 . . . . 0.0 111.848 179.599 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 13' ' ' GLU . . . . . 0.869 ' HG2' ' HB2' ' J' ' 9' ' ' SER . 43.2 mt-10 -56.71 -42.07 78.5 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-O 121.315 0.579 . . . . 0.0 110.185 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 14' ' ' ALA . . . . . 0.462 ' O ' HG23 ' L' ' 18' ' ' VAL . . . -81.35 -33.49 32.38 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.61 178.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 15' ' ' LEU . . . . . 0.642 ' HB2' ' HA ' ' L' ' 12' ' ' VAL . 3.0 mt -55.39 -54.67 40.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.491 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 16' ' ' TYR . . . . . 0.759 ' HB3' ' CE1' ' L' ' 24' ' ' PHE . 6.6 p90 -76.96 -14.55 59.84 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 119.721 -0.792 . . . . 0.0 111.152 -179.311 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 17' ' ' LEU . . . . . 0.542 HD23 HD23 ' F' ' 17' ' ' LEU . 32.7 tp -69.65 -34.59 74.23 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 177.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 18' ' ' VAL . . . . . 0.462 HG23 ' O ' ' L' ' 14' ' ' ALA . 94.4 t -67.91 -45.2 84.39 Favored 'Isoleucine or valine' 0 C--O 1.231 0.12 0 CA-C-N 115.111 -0.95 . . . . 0.0 109.53 178.221 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 19' ' ' CYS . . . . . 0.682 ' HB3' ' HB2' ' L' ' 22' ' ' ARG . 89.3 m -68.38 -42.33 79.28 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.069 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 20' ' ' GLY . . . . . 0.418 ' HA2' ' HE1' ' J' ' 5' ' ' HIS . . . 67.72 -86.21 0.16 Allowed Glycine 0 N--CA 1.451 -0.314 0 CA-C-N 116.262 -0.426 . . . . 0.0 113.004 179.422 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 21' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -88.89 -7.46 56.06 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.638 0.256 . . . . 0.0 110.687 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 22' ' ' ARG . . . . . 0.682 ' HB2' ' HB3' ' L' ' 19' ' ' CYS . 19.6 mtt85 -103.55 173.72 6.18 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.167 -179.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 23' ' ' GLY . . . . . 0.822 ' HA2' ' HD2' ' J' ' 28' ' ' PRO . . . -113.83 -159.25 13.11 Favored Glycine 0 N--CA 1.449 -0.498 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 178.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 24' ' ' PHE . . . . . 0.759 ' CE1' ' HB3' ' L' ' 16' ' ' TYR . 8.9 p90 -173.68 158.78 3.4 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 117.145 0.472 . . . . 0.0 110.485 179.438 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 25' ' ' PHE . . . . . 0.511 ' HE1' ' HD1' ' K' ' 19' ' ' TYR . 3.8 p90 -104.99 123.9 48.59 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 178.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 26' ' ' TYR . . . . . 0.573 ' OH ' ' HA3' ' L' ' 8' ' ' GLY . 77.9 t80 -115.72 123.44 48.29 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.998 -178.511 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 27' ' ' THR . . . . . 0.468 HG22 ' HA3' ' J' ' 23' ' ' GLY . 5.5 p -126.59 97.41 33.62 Favored Pre-proline 0 C--N 1.317 -0.834 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.812 179.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 28' ' ' PRO . . . . . 0.84 ' HD2' ' HA2' ' J' ' 23' ' ' GLY . 61.6 Cg_endo -73.6 52.69 2.53 Favored 'Trans proline' 0 C--N 1.35 0.629 0 C-N-CA 122.978 2.452 . . . . 0.0 111.435 179.629 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 29' ' ' LYS . . . . . . . . . . . . . 29.3 tttt -117.55 -32.7 4.81 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.621 -1.172 . . . . 0.0 109.265 -179.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 30' ' ' THR . . . . . . . . . . . . . 7.7 m . . . . . 0 C--O 1.245 0.843 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 179.476 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' IPH . . . . . 0.775 ' H4 ' HD21 ' F' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 22' ' ' IPH . . . . . 0.761 ' H4 ' HD21 ' L' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 22' ' ' IPH . . . . . 0.767 ' H4 ' HD21 ' J' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 22' ' ' IPH . . . . . 0.744 ' H4 ' HD21 ' D' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 22' ' ' IPH . . . . . 0.752 ' H4 ' HD21 ' B' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 22' ' ' IPH . . . . . 0.77 ' H4 ' HD21 ' H' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.23 0 N-CA-C 111.475 -0.65 . . . . 0.0 111.475 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.9 tt 177.61 -40.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.414 0.626 . . . . 0.0 110.524 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 97.3 t -59.92 -34.21 55.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.303 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.532 ' CD ' ' H ' ' A' ' 4' ' ' GLU . 2.5 mp0 -57.63 -22.99 48.76 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 113.072 0.768 . . . . 0.0 113.072 -179.041 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.448 ' HG3' ' SG ' ' A' ' 11' ' ' CYS . 14.5 pt20 -124.93 -38.23 2.37 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -178.721 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 78.7 m -78.89 -25.54 43.84 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.052 0.389 . . . . 0.0 112.052 -178.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.795 ' HB2' HD11 ' B' ' 11' ' ' LEU . 41.0 t -98.04 -6.47 31.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.955 0.407 . . . . 0.0 111.297 -179.698 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.7 p -90.97 -61.36 1.69 Allowed 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.117 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.486 ' O ' ' HB ' ' A' ' 10' ' ' ILE . 13.3 p -130.06 15.39 5.71 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -179.488 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.549 HD11 ' HB ' ' F' ' 2' ' ' VAL . 2.2 mp 73.5 136.03 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-O 121.46 0.647 . . . . 0.0 111.402 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.448 ' SG ' ' HG3' ' A' ' 5' ' ' GLN . 91.2 m -91.79 158.81 16.14 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.793 179.407 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 26.1 t -74.99 166.45 23.64 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.179 179.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.2 tt -57.98 -60.41 3.76 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.311 -179.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -65.38 -19.43 65.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.017 0.437 . . . . 0.0 110.978 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -75.31 -31.45 60.65 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.252 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 84.2 mt -71.74 -29.69 64.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.134 0.492 . . . . 0.0 110.045 178.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -63.76 -15.95 59.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.436 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -69.39 -18.5 63.77 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.196 0.522 . . . . 0.0 110.292 178.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 55.3 m-85 -104.44 -2.79 24.87 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.145 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.424 ' HA ' ' CB ' ' B' ' 24' ' ' PHE . 3.7 t -88.33 -176.33 5.32 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.613 179.642 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.6 m120 . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.459 -0.781 . . . . 0.0 110.813 179.768 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 49.2 t80 . . . . . 0 N--CA 1.483 1.192 0 N-CA-C 110.549 -0.167 . . . . 0.0 110.549 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.522 ' HB ' HD11 ' I' ' 10' ' ' ILE . 11.5 m 47.97 -159.16 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 C-N-CA 124.587 1.155 . . . . 0.0 112.677 -179.352 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . 0.472 ' CG ' ' H ' ' B' ' 4' ' ' GLN . 43.3 t30 -150.33 -167.58 2.86 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.955 0.407 . . . . 0.0 111.079 -178.161 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . 0.472 ' H ' ' CG ' ' B' ' 3' ' ' ASN . 29.0 tt0 -49.1 -35.91 17.45 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 124.019 0.928 . . . . 0.0 112.297 179.612 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . 0.481 ' CD2' HG21 ' I' ' 10' ' ' ILE . 55.4 t60 -59.0 -18.29 32.89 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -178.61 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.516 HD12 HG11 ' B' ' 2' ' ' VAL . 25.2 mt -120.07 -20.22 7.51 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.142 0.496 . . . . 0.0 110.802 179.072 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . 0.458 ' O ' ' HG ' ' B' ' 11' ' ' LEU . 36.6 t -75.88 -44.3 41.28 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.568 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . 0.585 ' O ' HG22 ' B' ' 12' ' ' VAL . . . -61.24 -27.24 67.2 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 121.168 -0.539 . . . . 0.0 112.798 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . 0.428 ' O ' ' HG2' ' D' ' 13' ' ' GLU . 7.1 m -57.67 -27.23 62.68 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 122.96 0.504 . . . . 0.0 111.209 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . 0.624 ' HA ' ' HG3' ' B' ' 13' ' ' GLU . 95.1 m-70 -104.63 -12.08 16.59 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.454 -178.596 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.826 ' HA ' ' H5 ' ' A' ' 22' ' ' IPH . 47.3 mt -74.32 -38.18 63.37 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 177.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.585 HG22 ' O ' ' B' ' 8' ' ' GLY . 0.7 OUTLIER -67.78 -30.3 48.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.082 -0.963 . . . . 0.0 111.941 179.723 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.624 ' HG3' ' HA ' ' B' ' 10' ' ' HIS . 25.7 mt-10 -57.39 -54.99 40.57 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 121.079 0.466 . . . . 0.0 109.831 179.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.16 -32.9 72.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.905 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.564 ' HB2' ' HA ' ' B' ' 12' ' ' VAL . 2.5 mt -52.78 -62.68 1.49 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.047 -0.524 . . . . 0.0 112.013 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . 0.74 ' HB3' ' CE1' ' B' ' 24' ' ' PHE . 3.2 p90 -76.67 -16.37 59.55 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 119.813 -0.755 . . . . 0.0 111.166 -179.094 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.493 ' HB2' ' O ' ' B' ' 13' ' ' GLU . 7.9 tt -68.36 -40.29 81.54 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 178.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 52.2 t -67.67 -43.78 86.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.692 178.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . 0.994 ' HB3' ' HB3' ' B' ' 22' ' ' ARG . 73.6 m -67.66 -37.84 82.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.273 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.53 -108.03 2.59 Favored Glycine 0 N--CA 1.451 -0.336 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -179.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.522 ' O ' ' HD2' ' D' ' 29' ' ' LYS . 56.0 mt-10 -96.85 51.8 1.15 Allowed 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 178.134 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . 0.994 ' HB3' ' HB3' ' B' ' 19' ' ' CYS . 74.7 ttt180 -140.96 131.02 24.66 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.799 -1.091 . . . . 0.0 109.181 -178.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . 0.659 ' HA3' HG22 ' D' ' 27' ' ' THR . . . -83.36 170.86 49.34 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.673 -0.775 . . . . 0.0 113.477 -178.487 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . 0.74 ' CE1' ' HB3' ' B' ' 16' ' ' TYR . 11.2 p90 -154.43 170.72 20.71 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-O 121.124 0.488 . . . . 0.0 110.295 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -116.66 132.59 56.65 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -129.96 119.16 22.77 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.122 0.487 . . . . 0.0 110.997 -179.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . 0.661 HG22 ' HA3' ' D' ' 23' ' ' GLY . 9.3 p -123.1 101.85 38.03 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.39 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . 0.588 ' HD2' ' HA2' ' D' ' 23' ' ' GLY . 90.4 Cg_endo -78.84 50.72 3.55 Favored 'Trans proline' 0 C--O 1.234 0.281 0 C-N-CA 122.527 2.151 . . . . 0.0 111.743 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.503 ' HD2' ' O ' ' D' ' 21' ' ' GLU . 63.2 tttm -153.01 92.55 1.64 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.388 -179.497 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 5.2 m . . . . . 0 C--O 1.25 1.117 0 CA-C-O 118.105 -0.95 . . . . 0.0 110.234 -178.848 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.656 0 N-CA-C 112.56 -0.216 . . . . 0.0 112.56 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 7.9 tt 179.82 -40.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 121.161 0.505 . . . . 0.0 110.174 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 96.5 t -59.76 -33.41 52.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.366 -179.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 4' ' ' GLU . . . . . 0.498 ' CD ' ' H ' ' C' ' 4' ' ' GLU . 2.3 mp0 -57.76 -24.83 58.99 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.772 -178.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 5' ' ' GLN . . . . . 0.454 ' HG3' ' SG ' ' C' ' 11' ' ' CYS . 14.2 pt20 -123.33 -38.04 2.61 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 -179.055 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 76.5 m -78.59 -25.29 45.21 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -178.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 7' ' ' CYS . . . . . 0.784 ' HB2' HD11 ' D' ' 11' ' ' LEU . 41.1 t -98.19 -6.18 31.86 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.199 -179.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 2.8 p -91.26 -61.15 1.72 Allowed 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.726 -0.39 . . . . 0.0 111.232 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 9' ' ' SER . . . . . 0.507 ' O ' ' HB ' ' C' ' 10' ' ' ILE . 15.3 p -130.39 16.02 5.5 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -179.495 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . 0.538 HD11 ' HB ' ' L' ' 2' ' ' VAL . 2.2 mp 73.15 136.71 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-O 121.413 0.625 . . . . 0.0 111.504 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 11' ' ' CYS . . . . . 0.454 ' SG ' ' HG3' ' C' ' 5' ' ' GLN . 95.3 m -92.42 158.5 16.02 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.693 179.286 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 25.1 t -74.92 166.98 22.78 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.128 179.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 10.3 tt -58.21 -60.15 4.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.337 -179.189 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -65.68 -19.72 66.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.195 0.521 . . . . 0.0 110.901 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -74.88 -32.02 61.75 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.245 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 79.9 mt -70.94 -29.55 65.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.174 178.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -63.88 -15.99 60.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.548 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -68.99 -19.03 64.14 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 121.143 0.497 . . . . 0.0 110.442 178.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -104.01 -2.44 26.03 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.072 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 20' ' ' CYS . . . . . 0.424 ' HA ' ' HB3' ' D' ' 24' ' ' PHE . 3.9 t -89.3 -178.5 5.64 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.157 -0.929 . . . . 0.0 109.663 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 3.5 m120 . . . . . 0 C--O 1.251 1.165 0 CA-C-O 118.443 -0.789 . . . . 0.0 110.523 179.828 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 48.6 t80 . . . . . 0 N--CA 1.485 1.275 0 CA-C-O 120.572 0.225 . . . . 0.0 110.727 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 2' ' ' VAL . . . . . 0.543 ' HB ' HD11 ' G' ' 10' ' ' ILE . 11.9 m 47.0 -158.88 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 124.562 1.145 . . . . 0.0 112.723 -179.543 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 3' ' ' ASN . . . . . 0.456 ' CG ' ' H ' ' D' ' 4' ' ' GLN . 39.4 t30 -150.14 -167.64 2.88 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.902 0.382 . . . . 0.0 111.192 -178.279 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 4' ' ' GLN . . . . . 0.456 ' H ' ' CG ' ' D' ' 3' ' ' ASN . 30.0 tt0 -48.95 -36.68 17.99 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 123.983 0.913 . . . . 0.0 112.167 179.707 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 5' ' ' HIS . . . . . 0.451 ' CD2' HG21 ' G' ' 10' ' ' ILE . 57.5 t60 -58.27 -18.42 26.69 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 112.751 0.649 . . . . 0.0 112.751 -178.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 6' ' ' LEU . . . . . 0.519 HD12 HG11 ' D' ' 2' ' ' VAL . 25.1 mt -119.8 -20.41 7.61 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.368 0.604 . . . . 0.0 110.814 179.16 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 7' ' ' CYS . . . . . 0.463 ' O ' ' HG ' ' D' ' 11' ' ' LEU . 36.7 t -75.67 -44.41 42.47 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.59 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 8' ' ' GLY . . . . . 0.58 ' O ' HG22 ' D' ' 12' ' ' VAL . . . -61.46 -26.7 66.75 Favored Glycine 0 C--N 1.332 0.307 0 C-N-CA 121.277 -0.487 . . . . 0.0 112.697 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 9' ' ' SER . . . . . 0.449 ' O ' ' HG2' ' B' ' 13' ' ' GLU . 5.6 m -58.1 -27.07 63.37 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.08 0.467 . . . . 0.0 111.29 -179.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 10' ' ' HIS . . . . . 0.651 ' HA ' ' HG3' ' D' ' 13' ' ' GLU . 94.7 m-70 -104.83 -12.06 16.47 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.463 -178.535 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 11' ' ' LEU . . . . . 0.854 ' HA ' ' H5 ' ' C' ' 22' ' ' IPH . 48.2 mt -74.23 -38.45 63.52 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 177.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . 0.58 HG22 ' O ' ' D' ' 8' ' ' GLY . 0.7 OUTLIER -67.49 -30.26 48.3 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-N 115.124 -0.944 . . . . 0.0 112.025 179.643 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 13' ' ' GLU . . . . . 0.651 ' HG3' ' HA ' ' D' ' 10' ' ' HIS . 25.2 mt-10 -57.27 -55.14 38.66 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.2 -32.63 72.04 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.93 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 15' ' ' LEU . . . . . 0.565 ' HB2' ' HA ' ' D' ' 12' ' ' VAL . 2.6 mt -52.93 -63.25 1.21 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.9 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 16' ' ' TYR . . . . . 0.742 ' HB3' ' CE1' ' D' ' 24' ' ' PHE . 3.2 p90 -76.03 -16.26 59.98 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.026 -0.669 . . . . 0.0 111.153 -178.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . 0.492 ' HB2' ' O ' ' D' ' 13' ' ' GLU . 8.1 tt -68.71 -40.87 79.78 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 178.79 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 52.8 t -66.94 -44.36 88.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.353 -0.839 . . . . 0.0 109.661 178.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 19' ' ' CYS . . . . . 0.992 ' HB3' ' HB3' ' D' ' 22' ' ' ARG . 75.1 m -67.32 -37.94 84.13 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.434 179.777 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.51 -107.75 2.53 Favored Glycine 0 N--CA 1.451 -0.364 0 N-CA-C 111.452 -0.659 . . . . 0.0 111.452 -179.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 21' ' ' GLU . . . . . 0.503 ' O ' ' HD2' ' B' ' 29' ' ' LYS . 52.4 mt-10 -96.94 51.43 1.13 Allowed 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 178.213 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 22' ' ' ARG . . . . . 0.992 ' HB3' ' HB3' ' D' ' 19' ' ' CYS . 74.5 ttt180 -140.41 132.66 28.19 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 114.825 -1.08 . . . . 0.0 109.006 -178.544 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 23' ' ' GLY . . . . . 0.661 ' HA3' HG22 ' B' ' 27' ' ' THR . . . -84.44 170.56 46.7 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.803 -0.713 . . . . 0.0 113.396 -178.662 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 24' ' ' PHE . . . . . 0.742 ' CE1' ' HB3' ' D' ' 16' ' ' TYR . 10.9 p90 -154.4 170.8 20.49 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-O 121.166 0.508 . . . . 0.0 110.505 179.728 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 25' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -116.7 132.19 56.75 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.292 179.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 26' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -129.51 119.31 23.5 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.211 0.529 . . . . 0.0 110.998 -179.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 27' ' ' THR . . . . . 0.659 HG22 ' HA3' ' B' ' 23' ' ' GLY . 6.7 p -123.53 101.78 36.74 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.344 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 28' ' ' PRO . . . . . 0.569 ' HD2' ' HA2' ' B' ' 23' ' ' GLY . 95.6 Cg_endo -79.47 51.58 3.94 Favored 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 122.76 2.307 . . . . 0.0 111.686 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 29' ' ' LYS . . . . . 0.522 ' HD2' ' O ' ' B' ' 21' ' ' GLU . 63.0 tttm -154.08 90.09 1.34 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.853 -179.364 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 16.0 m . . . . . 0 C--O 1.252 1.186 0 CA-C-O 118.167 -0.921 . . . . 0.0 110.162 -179.074 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.556 0 CA-C-O 121.104 0.28 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' E' E ' 2' ' ' ILE . . . . . . . . . . . . . 7.6 tt -178.1 -39.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.15 0.5 . . . . 0.0 110.246 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 91.7 t -59.84 -33.47 52.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.487 -0.778 . . . . 0.0 111.5 -179.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 4' ' ' GLU . . . . . 0.496 ' CD ' ' H ' ' E' ' 4' ' ' GLU . 2.4 mp0 -58.39 -23.15 56.25 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -178.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 5' ' ' GLN . . . . . 0.453 ' HG3' ' SG ' ' E' ' 11' ' ' CYS . 14.6 pt20 -124.28 -38.64 2.41 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -179.056 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 6' ' ' CYS . . . . . . . . . . . . . 79.4 m -78.63 -25.04 44.99 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -178.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 7' ' ' CYS . . . . . 0.773 ' HB2' HD11 ' F' ' 11' ' ' LEU . 41.5 t -98.02 -6.86 31.04 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.998 0.428 . . . . 0.0 111.375 -179.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 2.7 p -90.71 -62.33 1.48 Allowed 'General case' 0 C--N 1.323 -0.554 0 O-C-N 122.158 -0.339 . . . . 0.0 111.114 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 9' ' ' SER . . . . . 0.48 ' O ' ' HB ' ' E' ' 10' ' ' ILE . 17.5 p -129.37 16.85 6.01 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -179.534 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 10' ' ' ILE . . . . . 0.533 HD11 ' HB ' ' J' ' 2' ' ' VAL . 2.2 mp 72.46 138.22 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 CA-C-O 121.449 0.642 . . . . 0.0 111.485 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 11' ' ' CYS . . . . . 0.453 ' SG ' ' HG3' ' E' ' 5' ' ' GLN . 89.3 m -93.89 158.45 15.64 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.73 179.35 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 12' ' ' SER . . . . . . . . . . . . . 22.8 t -74.77 166.18 24.03 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.14 179.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 10.2 tt -57.29 -60.6 3.38 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.456 -179.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -65.02 -20.24 66.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.294 0.568 . . . . 0.0 110.88 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -74.42 -32.19 62.57 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.286 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 16' ' ' LEU . . . . . . . . . . . . . 82.7 mt -71.16 -29.75 65.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.165 178.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 17' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -63.67 -17.65 63.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.411 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 18' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -67.11 -20.56 65.8 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.125 0.488 . . . . 0.0 110.493 178.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 19' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -102.79 -0.67 31.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.409 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 20' ' ' CYS . . . . . 0.423 ' HA ' ' HB3' ' F' ' 24' ' ' PHE . 3.9 t -90.56 -177.12 4.96 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.544 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 21' ' ' ASN . . . . . . . . . . . . . 3.2 m120 . . . . . 0 C--O 1.245 0.854 0 CA-C-O 118.67 -0.681 . . . . 0.0 110.397 179.603 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' F' F ' 1' ' ' PHE . . . . . . . . . . . . . 47.2 t80 . . . . . 0 N--CA 1.48 1.066 0 CA-C-O 120.46 0.171 . . . . 0.0 110.813 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' F' F ' 2' ' ' VAL . . . . . 0.549 ' HB ' HD11 ' A' ' 10' ' ' ILE . 10.9 m 47.88 -158.55 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 124.716 1.206 . . . . 0.0 112.679 -179.42 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 3' ' ' ASN . . . . . 0.432 ' CG ' ' H ' ' F' ' 4' ' ' GLN . 36.0 t30 -151.38 -167.9 2.93 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.848 0.356 . . . . 0.0 111.047 -178.092 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 4' ' ' GLN . . . . . 0.432 ' H ' ' CG ' ' F' ' 3' ' ' ASN . 29.4 tt0 -48.28 -37.21 15.75 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 124.07 0.948 . . . . 0.0 112.252 179.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 5' ' ' HIS . . . . . 0.472 ' CD2' HG21 ' A' ' 10' ' ' ILE . 55.3 t60 -57.85 -18.98 25.73 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -178.648 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 6' ' ' LEU . . . . . 0.507 HD12 HG11 ' F' ' 2' ' ' VAL . 26.2 mt -119.43 -19.75 8.09 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.266 0.555 . . . . 0.0 110.964 179.131 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 7' ' ' CYS . . . . . 0.452 ' O ' ' HG ' ' F' ' 11' ' ' LEU . 35.7 t -76.12 -44.66 37.5 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.667 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 8' ' ' GLY . . . . . 0.574 ' O ' HG22 ' F' ' 12' ' ' VAL . . . -60.99 -26.88 66.21 Favored Glycine 0 N--CA 1.453 -0.216 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.676 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 9' ' ' SER . . . . . 0.435 ' O ' ' HG2' ' H' ' 13' ' ' GLU . 6.8 m -57.85 -27.45 63.24 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 123.047 0.539 . . . . 0.0 111.124 -179.644 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 10' ' ' HIS . . . . . 0.637 ' HA ' ' HG3' ' F' ' 13' ' ' GLU . 94.9 m-70 -104.53 -12.2 16.6 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.538 -178.598 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 11' ' ' LEU . . . . . 0.857 ' HA ' ' H5 ' ' E' ' 22' ' ' IPH . 46.2 mt -74.29 -38.16 63.45 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 177.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 12' ' ' VAL . . . . . 0.574 HG22 ' O ' ' F' ' 8' ' ' GLY . 0.8 OUTLIER -67.76 -30.24 47.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.257 -0.883 . . . . 0.0 112.14 179.694 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' F' F ' 13' ' ' GLU . . . . . 0.637 ' HG3' ' HA ' ' F' ' 10' ' ' HIS . 25.5 mt-10 -57.35 -55.26 37.11 Favored 'General case' 0 CA--C 1.519 -0.232 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.19 -32.39 71.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.1 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 15' ' ' LEU . . . . . 0.556 ' HB2' ' HA ' ' F' ' 12' ' ' VAL . 2.2 mt -52.93 -62.9 1.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.944 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 16' ' ' TYR . . . . . 0.739 ' HB3' ' CE1' ' F' ' 24' ' ' PHE . 3.2 p90 -76.18 -16.82 59.78 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.048 -0.661 . . . . 0.0 111.019 -179.235 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 17' ' ' LEU . . . . . 0.488 ' HB2' ' O ' ' F' ' 13' ' ' GLU . 8.2 tt -68.42 -39.38 81.6 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 178.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 54.2 t -68.63 -42.87 83.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.496 -0.774 . . . . 0.0 109.755 178.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 19' ' ' CYS . . . . . 0.98 ' HB3' ' HB3' ' F' ' 22' ' ' ARG . 73.4 m -68.74 -36.86 78.94 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.578 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.81 -108.47 2.62 Favored Glycine 0 N--CA 1.45 -0.407 0 N-CA-C 111.383 -0.687 . . . . 0.0 111.383 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 21' ' ' GLU . . . . . 0.499 ' O ' ' HD2' ' H' ' 29' ' ' LYS . 55.8 mt-10 -96.24 51.37 1.21 Allowed 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 178.047 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 22' ' ' ARG . . . . . 0.98 ' HB3' ' HB3' ' F' ' 19' ' ' CYS . 74.2 ttt180 -140.27 131.44 26.47 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.892 -1.049 . . . . 0.0 109.13 -178.619 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 23' ' ' GLY . . . . . 0.684 ' HA3' HG22 ' H' ' 27' ' ' THR . . . -83.01 170.99 50.24 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.872 -0.68 . . . . 0.0 113.335 -178.721 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 24' ' ' PHE . . . . . 0.739 ' CE1' ' HB3' ' F' ' 16' ' ' TYR . 11.1 p90 -155.15 170.21 22.34 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-O 121.037 0.446 . . . . 0.0 110.183 179.715 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 25' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -116.33 132.03 56.78 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.208 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 26' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -129.0 119.85 24.99 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.183 0.516 . . . . 0.0 110.916 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 27' ' ' THR . . . . . 0.697 HG22 ' HA3' ' H' ' 23' ' ' GLY . 7.6 p -123.96 101.74 35.39 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.54 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 28' ' ' PRO . . . . . 0.582 ' HD2' ' HA2' ' H' ' 23' ' ' GLY . 88.5 Cg_endo -79.3 52.39 4.26 Favored 'Trans proline' 0 C--O 1.234 0.31 0 C-N-CA 122.785 2.323 . . . . 0.0 111.68 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 29' ' ' LYS . . . . . 0.529 ' HD2' ' O ' ' H' ' 21' ' ' GLU . 62.2 tttm -155.07 91.5 1.36 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.527 -179.485 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 30' ' ' THR . . . . . . . . . . . . . 5.5 m . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.165 -0.921 . . . . 0.0 110.264 -179.011 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' G' G ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.734 0 N-CA-C 112.615 -0.194 . . . . 0.0 112.615 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' G' G ' 2' ' ' ILE . . . . . . . . . . . . . 7.6 tt -179.94 -39.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.401 0.619 . . . . 0.0 110.276 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 3' ' ' VAL . . . . . 0.406 ' O ' ' HB3' ' G' ' 7' ' ' CYS . 98.6 t -60.11 -33.61 53.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.479 -179.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 4' ' ' GLU . . . . . 0.51 ' CD ' ' H ' ' G' ' 4' ' ' GLU . 2.3 mp0 -58.25 -23.21 55.24 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.97 0.73 . . . . 0.0 112.97 -178.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 5' ' ' GLN . . . . . 0.453 ' HG3' ' SG ' ' G' ' 11' ' ' CYS . 14.7 pt20 -124.38 -38.97 2.37 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -179.227 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 6' ' ' CYS . . . . . . . . . . . . . 82.5 m -78.17 -24.19 47.36 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -178.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 7' ' ' CYS . . . . . 0.795 ' HB2' HD11 ' H' ' 11' ' ' LEU . 41.6 t -99.36 -6.36 27.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.069 0.461 . . . . 0.0 111.309 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 8' ' ' THR . . . . . . . . . . . . . 2.0 p -90.65 -62.32 1.48 Allowed 'General case' 0 C--N 1.323 -0.564 0 O-C-N 122.09 -0.381 . . . . 0.0 110.996 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 9' ' ' SER . . . . . 0.507 ' O ' ' HB ' ' G' ' 10' ' ' ILE . 17.0 p -129.49 15.22 6.04 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -179.478 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 10' ' ' ILE . . . . . 0.543 HD11 ' HB ' ' D' ' 2' ' ' VAL . 2.2 mp 74.34 136.96 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 CA-C-O 121.483 0.658 . . . . 0.0 111.524 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 11' ' ' CYS . . . . . 0.453 ' SG ' ' HG3' ' G' ' 5' ' ' GLN . 92.1 m -92.43 159.81 15.37 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.647 179.343 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 12' ' ' SER . . . . . . . . . . . . . 22.8 t -76.12 167.84 21.13 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.286 -0.415 . . . . 0.0 109.966 179.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 13' ' ' LEU . . . . . . . . . . . . . 10.3 tt -58.98 -60.37 3.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.436 -179.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 3.4 p90 -64.8 -20.75 66.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.133 0.492 . . . . 0.0 110.769 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -73.77 -32.78 63.96 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.331 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 16' ' ' LEU . . . . . . . . . . . . . 82.4 mt -70.73 -29.72 66.05 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.211 178.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 17' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -63.61 -16.58 61.27 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.514 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 18' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -68.56 -18.35 64.32 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.083 0.468 . . . . 0.0 110.514 178.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 19' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -104.87 -1.19 26.3 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.979 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 20' ' ' CYS . . . . . 0.408 ' HA ' ' CB ' ' H' ' 24' ' ' PHE . 3.7 t -90.59 -178.79 5.39 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.475 179.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 21' ' ' ASN . . . . . . . . . . . . . 3.4 m120 . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.577 -0.725 . . . . 0.0 110.548 179.824 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' H' H ' 1' ' ' PHE . . . . . . . . . . . . . 48.0 t80 . . . . . 0 N--CA 1.482 1.147 0 CA-C-O 120.561 0.219 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' H' H ' 2' ' ' VAL . . . . . 0.532 ' HB ' HD11 ' K' ' 10' ' ' ILE . 11.4 m 47.99 -159.09 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 124.548 1.139 . . . . 0.0 112.7 -179.461 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 3' ' ' ASN . . . . . 0.46 ' CG ' ' H ' ' H' ' 4' ' ' GLN . 37.3 t30 -150.51 -167.7 2.89 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.904 -0.318 . . . . 0.0 111.278 -178.204 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 4' ' ' GLN . . . . . 0.46 ' H ' ' CG ' ' H' ' 3' ' ' ASN . 28.7 tt0 -48.58 -36.77 16.3 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 124.0 0.92 . . . . 0.0 112.134 179.641 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 5' ' ' HIS . . . . . 0.461 ' CD2' HG21 ' K' ' 10' ' ' ILE . 55.3 t60 -58.55 -18.14 27.2 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 -178.484 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 6' ' ' LEU . . . . . 0.527 HD12 HG11 ' H' ' 2' ' ' VAL . 24.2 mt -120.34 -20.04 7.41 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.217 0.532 . . . . 0.0 110.673 179.225 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 7' ' ' CYS . . . . . 0.45 ' O ' ' HG ' ' H' ' 11' ' ' LEU . 35.0 t -76.14 -44.17 39.52 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.65 179.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 8' ' ' GLY . . . . . 0.571 ' O ' HG22 ' H' ' 12' ' ' VAL . . . -61.31 -26.71 66.53 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 121.268 -0.491 . . . . 0.0 112.752 179.758 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 9' ' ' SER . . . . . 0.432 ' O ' ' HG2' ' F' ' 13' ' ' GLU . 5.7 m -57.98 -27.67 63.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.152 0.501 . . . . 0.0 111.167 -179.668 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 10' ' ' HIS . . . . . 0.639 ' HA ' ' HG3' ' H' ' 13' ' ' GLU . 94.4 m-70 -104.24 -11.98 16.91 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.396 -178.454 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 11' ' ' LEU . . . . . 0.833 ' HA ' ' H5 ' ' G' ' 22' ' ' IPH . 47.5 mt -74.09 -38.41 63.89 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 177.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 12' ' ' VAL . . . . . 0.571 HG22 ' O ' ' H' ' 8' ' ' GLY . 0.8 OUTLIER -67.52 -30.28 48.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.115 -0.948 . . . . 0.0 111.89 179.706 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' H' H ' 13' ' ' GLU . . . . . 0.639 ' HG3' ' HA ' ' H' ' 10' ' ' HIS . 24.9 mt-10 -57.26 -55.65 32.03 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-O 121.032 0.444 . . . . 0.0 109.819 179.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.48 -33.05 73.47 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.097 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 15' ' ' LEU . . . . . 0.549 ' HB2' ' HA ' ' H' ' 12' ' ' VAL . 2.3 mt -52.51 -62.88 1.36 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.015 -179.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 16' ' ' TYR . . . . . 0.74 ' HB3' ' CE1' ' H' ' 24' ' ' PHE . 3.3 p90 -76.43 -16.43 59.69 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 120.06 -0.656 . . . . 0.0 111.1 -179.248 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 17' ' ' LEU . . . . . 0.485 ' HB2' ' O ' ' H' ' 13' ' ' GLU . 8.1 tt -68.82 -39.36 80.05 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 178.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 49.5 t -68.45 -44.38 83.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.523 178.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 19' ' ' CYS . . . . . 0.992 ' HB3' ' HB3' ' H' ' 22' ' ' ARG . 74.5 m -66.92 -37.4 84.28 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.595 179.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.64 -108.01 2.53 Favored Glycine 0 N--CA 1.451 -0.351 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 21' ' ' GLU . . . . . 0.529 ' O ' ' HD2' ' F' ' 29' ' ' LYS . 54.2 mt-10 -96.45 51.1 1.17 Allowed 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 178.282 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 22' ' ' ARG . . . . . 0.992 ' HB3' ' HB3' ' H' ' 19' ' ' CYS . 73.7 ttt180 -139.41 133.04 30.48 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.846 -1.07 . . . . 0.0 108.928 -178.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 23' ' ' GLY . . . . . 0.697 ' HA3' HG22 ' F' ' 27' ' ' THR . . . -84.62 170.9 46.73 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.644 -0.789 . . . . 0.0 113.159 -178.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 24' ' ' PHE . . . . . 0.74 ' CE1' ' HB3' ' H' ' 16' ' ' TYR . 11.7 p90 -155.07 169.92 23.0 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-O 121.104 0.478 . . . . 0.0 110.41 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 25' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -116.09 132.51 56.64 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.348 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 26' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -129.3 119.53 24.1 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.119 0.485 . . . . 0.0 111.013 -179.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 27' ' ' THR . . . . . 0.684 HG22 ' HA3' ' F' ' 23' ' ' GLY . 7.1 p -123.64 101.61 36.54 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.445 179.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 28' ' ' PRO . . . . . 0.58 ' HD2' ' HA2' ' F' ' 23' ' ' GLY . 82.7 Cg_endo -78.79 50.63 3.51 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.759 2.306 . . . . 0.0 111.825 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 29' ' ' LYS . . . . . 0.499 ' HD2' ' O ' ' F' ' 21' ' ' GLU . 62.7 tttm -153.45 90.43 1.41 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.88 -179.476 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 30' ' ' THR . . . . . . . . . . . . . 6.2 m . . . . . 0 C--O 1.252 1.21 0 CA-C-O 118.106 -0.949 . . . . 0.0 109.998 -178.878 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' I' I ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.691 0 N-CA-C 112.232 -0.347 . . . . 0.0 112.232 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' I' I ' 2' ' ' ILE . . . . . . . . . . . . . 7.5 tt -179.91 -40.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-O 121.203 0.525 . . . . 0.0 110.108 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 3' ' ' VAL . . . . . 0.4 ' O ' ' HB3' ' I' ' 7' ' ' CYS . 99.6 t -59.34 -34.53 54.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.499 -179.667 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 4' ' ' GLU . . . . . 0.504 ' CD ' ' H ' ' I' ' 4' ' ' GLU . 2.5 mp0 -57.34 -22.87 45.26 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 -178.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 5' ' ' GLN . . . . . 0.46 ' HG3' ' SG ' ' I' ' 11' ' ' CYS . 14.7 pt20 -124.77 -38.98 2.31 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -179.029 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 6' ' ' CYS . . . . . . . . . . . . . 70.8 m -78.12 -24.57 47.41 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 112.335 0.495 . . . . 0.0 112.335 -178.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 7' ' ' CYS . . . . . 0.773 ' HB2' HD11 ' J' ' 11' ' ' LEU . 41.3 t -98.92 -5.8 30.06 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.929 0.395 . . . . 0.0 111.162 -179.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 8' ' ' THR . . . . . . . . . . . . . 2.4 p -91.39 -62.1 1.51 Allowed 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.959 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 9' ' ' SER . . . . . 0.504 ' O ' ' HB ' ' I' ' 10' ' ' ILE . 20.5 p -129.65 16.04 5.9 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -179.554 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 10' ' ' ILE . . . . . 0.522 HD11 ' HB ' ' B' ' 2' ' ' VAL . 2.2 mp 73.28 136.4 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 CA-C-O 121.627 0.727 . . . . 0.0 111.51 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 11' ' ' CYS . . . . . 0.46 ' SG ' ' HG3' ' I' ' 5' ' ' GLN . 92.3 m -92.06 158.69 16.08 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.844 179.269 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 12' ' ' SER . . . . . . . . . . . . . 30.0 t -75.22 166.92 22.87 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.145 179.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 13' ' ' LEU . . . . . . . . . . . . . 10.0 tt -57.48 -61.48 2.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.248 -179.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -64.86 -19.06 65.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.027 0.441 . . . . 0.0 111.186 -179.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -75.47 -32.14 60.5 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.083 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 16' ' ' LEU . . . . . . . . . . . . . 83.9 mt -70.89 -29.98 66.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.018 0.437 . . . . 0.0 110.184 178.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 17' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -63.67 -16.09 60.1 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.518 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 18' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -69.15 -18.44 63.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.109 0.481 . . . . 0.0 110.497 178.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 19' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -104.35 -2.68 25.16 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.14 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 20' ' ' CYS . . . . . 0.43 ' HA ' ' HB3' ' J' ' 24' ' ' PHE . 3.6 t -88.4 -176.59 5.39 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.783 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 21' ' ' ASN . . . . . . . . . . . . . 3.4 m120 . . . . . 0 C--O 1.244 0.812 0 CA-C-O 118.605 -0.712 . . . . 0.0 110.644 179.868 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' J' J ' 1' ' ' PHE . . . . . . . . . . . . . 49.1 t80 . . . . . 0 N--CA 1.481 1.102 0 CA-C-O 120.339 0.114 . . . . 0.0 110.764 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' J' J ' 2' ' ' VAL . . . . . 0.533 ' HB ' HD11 ' E' ' 10' ' ' ILE . 11.1 m 47.92 -159.56 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 124.655 1.182 . . . . 0.0 112.579 -179.61 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 3' ' ' ASN . . . . . 0.429 ' CG ' ' H ' ' J' ' 4' ' ' GLN . 34.0 t30 -150.35 -167.98 2.97 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 122.155 -0.341 . . . . 0.0 111.084 -178.124 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 4' ' ' GLN . . . . . 0.429 ' H ' ' CG ' ' J' ' 3' ' ' ASN . 29.6 tt0 -48.34 -36.65 14.84 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 124.061 0.944 . . . . 0.0 112.231 179.759 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 5' ' ' HIS . . . . . 0.462 ' CD2' HG21 ' E' ' 10' ' ' ILE . 56.0 t60 -58.65 -17.89 26.11 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -178.546 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 6' ' ' LEU . . . . . 0.526 HD12 HG11 ' J' ' 2' ' ' VAL . 24.4 mt -120.37 -19.9 7.44 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.297 0.57 . . . . 0.0 110.729 179.26 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 7' ' ' CYS . . . . . 0.45 ' O ' ' HG ' ' J' ' 11' ' ' LEU . 40.0 t -76.02 -45.09 36.25 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.578 179.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 8' ' ' GLY . . . . . 0.589 ' O ' HG22 ' J' ' 12' ' ' VAL . . . -60.42 -27.58 65.93 Favored Glycine 0 N--CA 1.449 -0.478 0 CA-C-N 115.927 -0.579 . . . . 0.0 112.728 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 9' ' ' SER . . . . . 0.428 ' O ' ' HG2' ' L' ' 13' ' ' GLU . 7.0 m -57.43 -27.35 62.33 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 122.961 0.504 . . . . 0.0 111.291 -179.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 10' ' ' HIS . . . . . 0.634 ' HA ' ' HG3' ' J' ' 13' ' ' GLU . 94.6 m-70 -104.68 -12.31 16.44 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.414 -178.553 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 11' ' ' LEU . . . . . 0.846 ' HA ' ' H5 ' ' I' ' 22' ' ' IPH . 46.8 mt -73.73 -38.77 64.67 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 177.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 12' ' ' VAL . . . . . 0.589 HG22 ' O ' ' J' ' 8' ' ' GLY . 0.7 OUTLIER -67.12 -30.48 49.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.056 -0.975 . . . . 0.0 112.011 179.794 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' J' J ' 13' ' ' GLU . . . . . 0.634 ' HG3' ' HA ' ' J' ' 10' ' ' HIS . 25.4 mt-10 -57.33 -55.04 39.86 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.32 -32.68 71.95 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.083 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 15' ' ' LEU . . . . . 0.554 ' HB2' ' HA ' ' J' ' 12' ' ' VAL . 2.5 mt -52.76 -62.86 1.37 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.949 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 16' ' ' TYR . . . . . 0.732 ' HB3' ' CE1' ' J' ' 24' ' ' PHE . 3.2 p90 -76.23 -16.45 59.82 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.153 -0.619 . . . . 0.0 111.009 -179.211 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 17' ' ' LEU . . . . . 0.487 ' HB2' ' O ' ' J' ' 13' ' ' GLU . 7.9 tt -68.81 -40.06 79.72 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 178.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 55.6 t -67.86 -43.62 85.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.549 178.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 19' ' ' CYS . . . . . 0.978 ' HB3' ' HB3' ' J' ' 22' ' ' ARG . 73.6 m -67.58 -38.62 84.32 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.304 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.09 -108.53 2.7 Favored Glycine 0 N--CA 1.451 -0.352 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 -179.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 21' ' ' GLU . . . . . 0.491 ' O ' ' HD2' ' L' ' 29' ' ' LYS . 53.8 mt-10 -95.94 52.24 1.3 Allowed 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 178.05 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 22' ' ' ARG . . . . . 0.978 ' HB3' ' HB3' ' J' ' 19' ' ' CYS . 73.7 ttt180 -141.13 132.92 27.39 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.975 -1.012 . . . . 0.0 109.103 -178.375 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 23' ' ' GLY . . . . . 0.715 ' HA3' HG22 ' L' ' 27' ' ' THR . . . -84.56 171.01 46.99 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.82 -0.705 . . . . 0.0 113.325 -178.632 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 24' ' ' PHE . . . . . 0.732 ' CE1' ' HB3' ' J' ' 16' ' ' TYR . 11.9 p90 -155.17 169.9 23.08 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-O 121.067 0.461 . . . . 0.0 110.502 179.622 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 25' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -116.12 132.68 56.59 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.381 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 26' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -129.87 119.27 23.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.215 0.531 . . . . 0.0 111.11 -179.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 27' ' ' THR . . . . . 0.678 HG22 ' HA3' ' L' ' 23' ' ' GLY . 7.8 p -123.33 101.35 37.85 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.548 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 28' ' ' PRO . . . . . 0.581 ' HD2' ' HA2' ' L' ' 23' ' ' GLY . 88.1 Cg_endo -78.85 51.51 3.86 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.804 2.336 . . . . 0.0 111.737 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 29' ' ' LYS . . . . . 0.436 ' HD2' ' O ' ' L' ' 21' ' ' GLU . 63.8 tttm -153.88 90.51 1.38 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.658 -179.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 30' ' ' THR . . . . . . . . . . . . . 7.3 m . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.428 -0.796 . . . . 0.0 109.882 -178.534 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.249 0 N-CA-C 112.178 -0.369 . . . . 0.0 112.178 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' K' K ' 2' ' ' ILE . . . . . . . . . . . . . 8.3 tt -179.45 -40.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 121.332 0.586 . . . . 0.0 110.373 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 3' ' ' VAL . . . . . 0.409 ' O ' ' HB3' ' K' ' 7' ' ' CYS . 92.3 t -59.85 -34.05 54.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.469 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' K' K ' 4' ' ' GLU . . . . . 0.502 ' CD ' ' H ' ' K' ' 4' ' ' GLU . 2.0 mp0 -57.95 -23.1 52.19 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.983 0.734 . . . . 0.0 112.983 -179.028 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' K' K ' 5' ' ' GLN . . . . . 0.467 ' HG3' ' SG ' ' K' ' 11' ' ' CYS . 14.5 pt20 -124.24 -38.91 2.39 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.762 0.652 . . . . 0.0 112.762 -179.018 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' K' K ' 6' ' ' CYS . . . . . . . . . . . . . 73.0 m -78.69 -24.15 45.22 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -178.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 7' ' ' CYS . . . . . 0.775 ' HB2' HD11 ' L' ' 11' ' ' LEU . 41.8 t -99.04 -6.67 28.08 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.957 0.408 . . . . 0.0 111.218 -179.636 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' K' K ' 8' ' ' THR . . . . . . . . . . . . . 2.7 p -90.69 -61.56 1.65 Allowed 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.741 -0.384 . . . . 0.0 111.015 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 9' ' ' SER . . . . . 0.528 ' O ' ' HB ' ' K' ' 10' ' ' ILE . 11.1 p -129.65 14.33 5.94 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -179.298 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' K' K ' 10' ' ' ILE . . . . . 0.532 HD11 ' HB ' ' H' ' 2' ' ' VAL . 2.2 mp 74.82 137.06 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 CA-C-O 121.376 0.608 . . . . 0.0 111.314 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' K' K ' 11' ' ' CYS . . . . . 0.467 ' SG ' ' HG3' ' K' ' 5' ' ' GLN . 91.1 m -92.76 159.07 15.58 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.539 179.206 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' K' K ' 12' ' ' SER . . . . . . . . . . . . . 22.5 t -76.3 165.75 24.42 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 179.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 13' ' ' LEU . . . . . . . . . . . . . 10.1 tt -56.3 -60.86 2.91 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.541 -179.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -64.72 -20.53 66.39 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.184 0.516 . . . . 0.0 111.016 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -74.09 -32.72 63.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.346 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 16' ' ' LEU . . . . . . . . . . . . . 84.5 mt -70.68 -30.41 66.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.298 178.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 17' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -63.33 -16.57 60.81 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.457 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 18' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 -68.36 -19.2 64.62 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 120.938 0.399 . . . . 0.0 110.33 178.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 19' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -104.36 -0.43 28.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.228 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 20' ' ' CYS . . . . . 0.417 ' HA ' ' CB ' ' L' ' 24' ' ' PHE . 3.6 t -90.09 -175.53 4.58 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.61 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' K' K ' 21' ' ' ASN . . . . . . . . . . . . . 2.9 m120 . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.634 -0.698 . . . . 0.0 110.668 179.944 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' L' L ' 1' ' ' PHE . . . . . . . . . . . . . 48.9 t80 . . . . . 0 N--CA 1.483 1.182 0 CA-C-O 120.469 0.176 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' L' L ' 2' ' ' VAL . . . . . 0.538 ' HB ' HD11 ' C' ' 10' ' ' ILE . 11.6 m 47.0 -159.56 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 124.545 1.138 . . . . 0.0 112.72 -179.465 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' L' L ' 3' ' ' ASN . . . . . 0.429 ' CG ' ' H ' ' L' ' 4' ' ' GLN . 29.3 t30 -149.99 -167.77 2.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.867 0.365 . . . . 0.0 111.197 -178.146 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' L' L ' 4' ' ' GLN . . . . . 0.429 ' H ' ' CG ' ' L' ' 3' ' ' ASN . 29.7 tt0 -48.18 -37.83 16.71 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 123.936 0.895 . . . . 0.0 112.238 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' L' L ' 5' ' ' HIS . . . . . 0.454 ' CD2' HG21 ' C' ' 10' ' ' ILE . 54.7 t60 -57.16 -18.69 16.47 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 113.045 0.758 . . . . 0.0 113.045 -178.634 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' L' L ' 6' ' ' LEU . . . . . 0.523 HD12 HG11 ' L' ' 2' ' ' VAL . 24.1 mt -119.87 -20.47 7.54 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.197 0.523 . . . . 0.0 110.826 179.273 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' L' L ' 7' ' ' CYS . . . . . 0.471 ' O ' ' HG ' ' L' ' 11' ' ' LEU . 37.8 t -75.99 -44.04 41.59 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.548 179.745 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' L' L ' 8' ' ' GLY . . . . . 0.582 ' O ' HG22 ' L' ' 12' ' ' VAL . . . -61.61 -26.54 66.8 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 121.171 -0.538 . . . . 0.0 112.838 179.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' L' L ' 9' ' ' SER . . . . . 0.433 ' O ' ' HG2' ' J' ' 13' ' ' GLU . 6.6 m -58.23 -27.53 64.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.212 0.53 . . . . 0.0 111.304 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' L' L ' 10' ' ' HIS . . . . . 0.628 ' HA ' ' HG3' ' L' ' 13' ' ' GLU . 94.8 m-70 -104.17 -12.43 16.7 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.347 -178.566 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' L' L ' 11' ' ' LEU . . . . . 0.866 ' HA ' ' H5 ' ' K' ' 22' ' ' IPH . 47.5 mt -73.69 -38.15 64.98 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 178.045 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' L' L ' 12' ' ' VAL . . . . . 0.582 HG22 ' O ' ' L' ' 8' ' ' GLY . 0.7 OUTLIER -68.16 -30.05 46.61 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-N 115.002 -0.999 . . . . 0.0 111.967 179.846 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' L' L ' 13' ' ' GLU . . . . . 0.628 ' HG3' ' HA ' ' L' ' 10' ' ' HIS . 25.9 mt-10 -57.33 -55.07 39.53 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 179.721 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' L' L ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.05 -32.54 72.1 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.057 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 15' ' ' LEU . . . . . 0.558 ' HB2' ' HA ' ' L' ' 12' ' ' VAL . 2.4 mt -53.18 -62.54 1.58 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.105 -0.498 . . . . 0.0 112.077 -179.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' L' L ' 16' ' ' TYR . . . . . 0.742 ' HB3' ' CE1' ' L' ' 24' ' ' PHE . 3.3 p90 -76.57 -16.33 59.63 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 119.967 -0.693 . . . . 0.0 110.989 -179.207 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' L' L ' 17' ' ' LEU . . . . . 0.498 ' HB2' ' O ' ' L' ' 13' ' ' GLU . 8.1 tt -68.73 -40.11 80.06 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 178.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 50.0 t -67.97 -43.19 85.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.632 178.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 19' ' ' CYS . . . . . 0.991 ' HB3' ' HB3' ' L' ' 22' ' ' ARG . 73.3 m -68.36 -36.53 79.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.489 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' L' L ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.53 -109.58 2.82 Favored Glycine 0 N--CA 1.452 -0.297 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -179.189 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 21' ' ' GLU . . . . . 0.436 ' O ' ' HD2' ' J' ' 29' ' ' LYS . 56.0 mt-10 -95.55 54.49 1.58 Allowed 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 178.153 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' L' L ' 22' ' ' ARG . . . . . 0.991 ' HB3' ' HB3' ' L' ' 19' ' ' CYS . 74.6 ttt180 -143.13 131.31 21.93 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.877 -1.056 . . . . 0.0 108.963 -178.492 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' L' L ' 23' ' ' GLY . . . . . 0.678 ' HA3' HG22 ' J' ' 27' ' ' THR . . . -83.4 170.24 48.48 Favored Glycine 0 CA--C 1.511 -0.187 0 C-N-CA 120.64 -0.79 . . . . 0.0 113.168 -178.689 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' L' L ' 24' ' ' PHE . . . . . 0.742 ' CE1' ' HB3' ' L' ' 16' ' ' TYR . 11.1 p90 -154.51 169.95 22.59 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-O 121.013 0.435 . . . . 0.0 110.463 179.639 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' L' L ' 25' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -116.14 132.67 56.59 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.267 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 26' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -129.85 118.59 21.98 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.069 0.462 . . . . 0.0 111.182 -179.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 27' ' ' THR . . . . . 0.715 HG22 ' HA3' ' J' ' 23' ' ' GLY . 6.2 p -122.85 101.76 38.92 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.313 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' L' L ' 28' ' ' PRO . . . . . 0.602 ' HD2' ' HA2' ' J' ' 23' ' ' GLY . 89.4 Cg_endo -78.68 51.36 3.76 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 122.796 2.331 . . . . 0.0 111.73 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' L' L ' 29' ' ' LYS . . . . . 0.491 ' HD2' ' O ' ' J' ' 21' ' ' GLU . 62.6 tttm -153.97 90.53 1.38 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.694 -179.405 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' L' L ' 30' ' ' THR . . . . . . . . . . . . . 8.3 m . . . . . 0 C--O 1.25 1.126 0 O-C-N 123.997 0.81 . . . . 0.0 110.26 -178.937 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' IPH . . . . . 0.826 ' H5 ' ' HA ' ' B' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 22' ' ' IPH . . . . . 0.854 ' H5 ' ' HA ' ' D' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 22' ' ' IPH . . . . . 0.857 ' H5 ' ' HA ' ' F' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 22' ' ' IPH . . . . . 0.833 ' H5 ' ' HA ' ' H' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 22' ' ' IPH . . . . . 0.846 ' H5 ' ' HA ' ' J' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 22' ' ' IPH . . . . . 0.866 ' H5 ' ' HA ' ' L' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.681 0 N-CA-C 111.709 -0.556 . . . . 0.0 111.709 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.465 HD11 HD11 ' B' ' 15' ' ' LEU . 3.5 tt -60.57 -50.51 80.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.861 0.362 . . . . 0.0 111.726 -179.375 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.59 HG21 ' HA ' ' B' ' 28' ' ' PRO . 18.6 t -69.4 -19.5 23.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.405 0.621 . . . . 0.0 110.443 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -80.88 -60.3 2.35 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.97 179.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -58.87 -52.77 64.32 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.61 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 83.3 m -69.2 -2.04 9.45 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 113.65 0.982 . . . . 0.0 113.65 -178.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 25.1 t -117.64 -28.55 5.99 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.257 -0.577 . . . . 0.0 110.965 179.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.495 ' O ' HG21 ' F' ' 2' ' ' VAL . 26.8 p -82.94 -23.34 33.52 Favored 'General case' 0 C--N 1.328 -0.33 0 O-C-N 122.281 -0.262 . . . . 0.0 111.082 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.94 ' HA ' HG11 ' F' ' 2' ' ' VAL . 18.5 m -146.72 -5.62 0.54 Allowed 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.977 -0.289 . . . . 0.0 111.586 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.763 HD13 ' HB ' ' F' ' 2' ' ' VAL . 1.9 mp 67.36 135.23 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 CA-C-O 121.599 0.714 . . . . 0.0 111.313 179.483 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 57.6 m -97.37 154.09 17.67 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.397 -178.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.9 m -88.77 178.73 6.38 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.507 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.513 HD12 HG13 ' B' ' 18' ' ' VAL . 59.9 tp -51.17 -60.07 3.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.382 -179.164 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -64.75 -33.99 77.28 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -178.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -60.9 -45.36 94.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.134 179.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.835 HD11 ' H6 ' ' A' ' 22' ' ' IPH . 88.2 mt -66.14 -37.48 85.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.743 -179.513 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.569 ' HA ' ' SG ' ' A' ' 20' ' ' CYS . 37.2 tt0 -59.35 -21.4 59.76 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 120.932 0.396 . . . . 0.0 111.679 -179.099 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -70.25 -12.39 61.56 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.2 179.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.417 ' CE2' ' HB ' ' A' ' 2' ' ' ILE . 83.2 m-85 -107.07 6.44 28.94 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -178.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.569 ' SG ' ' HA ' ' A' ' 17' ' ' GLU . 63.8 m -71.29 140.81 50.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.007 0.432 . . . . 0.0 110.045 179.258 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 . . . . . 0 C--O 1.251 1.132 0 CA-C-O 118.429 -0.796 . . . . 0.0 110.097 -179.745 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.482 1.16 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.91 HG11 ' HA ' ' I' ' 9' ' ' SER . 20.7 m -91.69 88.88 2.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 121.852 0.834 . . . . 0.0 110.537 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -171.32 -43.09 0.02 OUTLIER 'General case' 0 C--O 1.219 -0.548 0 CA-C-N 115.029 -0.987 . . . . 0.0 108.559 -179.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . 0.492 ' HA ' ' HB3' ' B' ' 7' ' ' CYS . 52.6 tt0 -55.61 -36.1 66.58 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.653 179.072 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -64.91 -20.85 66.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.505 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 33.9 mt -105.75 -23.77 12.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.655 0.741 . . . . 0.0 110.106 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . 0.544 ' SG ' HD21 ' B' ' 11' ' ' LEU . 0.0 OUTLIER -79.5 -44.93 20.3 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 114.805 -1.089 . . . . 0.0 111.102 -178.891 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . 0.607 ' HA2' ' HG ' ' B' ' 11' ' ' LEU . . . -58.1 -28.28 61.02 Favored Glycine 0 N--CA 1.452 -0.265 0 CA-C-N 115.988 -0.551 . . . . 0.0 114.125 -179.318 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . 0.523 ' HB2' ' HG2' ' D' ' 13' ' ' GLU . 13.9 p -67.42 -12.88 61.34 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 117.005 0.402 . . . . 0.0 111.426 -179.559 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -109.77 -18.14 13.51 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.829 -0.348 . . . . 0.0 111.413 -179.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.607 ' HG ' ' HA2' ' B' ' 8' ' ' GLY . 3.0 mt -72.55 -32.91 66.44 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 178.101 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.507 ' HA ' HD12 ' B' ' 15' ' ' LEU . 2.6 m -65.41 -37.22 79.54 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.098 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.567 179.277 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.586 ' HA ' ' CE2' ' B' ' 16' ' ' TYR . 21.6 mt-10 -61.92 -41.12 97.56 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 179.612 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.07 -33.36 65.6 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.639 178.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.507 HD12 ' HA ' ' B' ' 12' ' ' VAL . 16.3 mt -57.79 -57.7 11.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.212 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . 0.701 ' HB2' ' HG3' ' D' ' 28' ' ' PRO . 3.8 p90 -63.47 -26.03 68.54 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.673 -179.155 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.478 HD23 HD23 ' H' ' 17' ' ' LEU . 49.0 tp -72.91 -45.67 56.85 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.175 179.474 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.513 HG13 HD12 ' A' ' 13' ' ' LEU . 42.4 t -65.07 -42.89 95.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.013 179.111 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . 0.763 ' HB3' ' HB2' ' B' ' 22' ' ' ARG . 79.8 m -67.62 -20.71 65.38 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.282 179.083 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.66 63.93 3.61 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.347 179.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 72.65 -2.56 2.62 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 123.454 0.702 . . . . 0.0 111.751 -179.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . 0.763 ' HB2' ' HB3' ' B' ' 19' ' ' CYS . 75.9 mtm180 -79.32 147.46 32.44 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 177.239 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . 0.784 ' HA2' ' HD2' ' D' ' 28' ' ' PRO . . . -75.13 -178.84 42.68 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.338 -0.934 . . . . 0.0 112.742 -179.402 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . 0.551 ' HE2' ' HB3' ' B' ' 16' ' ' TYR . 23.3 p90 -167.35 166.48 14.54 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 179.688 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 11.1 p90 -107.92 126.8 53.12 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 178.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.553 ' CE1' HG22 ' A' ' 3' ' ' VAL . 83.6 t80 -119.63 110.07 16.42 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.937 0.399 . . . . 0.0 110.819 -179.21 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . 0.654 HG22 ' HA3' ' D' ' 23' ' ' GLY . 5.3 p -118.63 96.17 49.69 Favored Pre-proline 0 C--N 1.316 -0.851 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.677 179.309 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . 0.78 ' HD2' ' HA2' ' D' ' 23' ' ' GLY . 42.2 Cg_endo -68.72 59.14 1.14 Allowed 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 123.215 2.61 . . . . 0.0 112.92 -179.023 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.557 ' HG2' ' H ' ' B' ' 30' ' ' THR . 66.8 tttt -158.73 -162.63 1.12 Allowed 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . 0.557 ' H ' ' HG2' ' B' ' 29' ' ' LYS . 13.2 t . . . . . 0 C--O 1.252 1.187 0 CA-C-O 117.838 -1.077 . . . . 0.0 108.683 178.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.013 0 N-CA-C 112.04 -0.424 . . . . 0.0 112.04 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 2' ' ' ILE . . . . . 0.446 HD11 HD11 ' D' ' 15' ' ' LEU . 3.6 tt -60.4 -50.22 81.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 3' ' ' VAL . . . . . 0.601 HG21 ' HA ' ' D' ' 28' ' ' PRO . 19.9 t -69.36 -20.2 23.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.621 0.724 . . . . 0.0 110.704 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -80.51 -60.72 2.21 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.084 179.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -58.62 -52.88 63.78 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.706 -0.679 . . . . 0.0 112.434 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 78.8 m -68.62 -2.05 8.18 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.661 0.985 . . . . 0.0 113.661 -178.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 7' ' ' CYS . . . . . . . . . . . . . 26.4 t -117.71 -28.82 5.89 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.108 -0.637 . . . . 0.0 111.029 179.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 8' ' ' THR . . . . . 0.478 ' O ' HG21 ' L' ' 2' ' ' VAL . 28.6 p -82.49 -22.52 35.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.74 0.305 . . . . 0.0 111.314 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 9' ' ' SER . . . . . 0.951 ' HA ' HG11 ' L' ' 2' ' ' VAL . 30.6 m -147.9 -6.09 0.45 Allowed 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.608 -179.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . 0.792 HD13 ' HB ' ' L' ' 2' ' ' VAL . 1.9 mp 67.92 135.03 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 CA-C-O 121.554 0.692 . . . . 0.0 111.367 179.071 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 56.8 m -96.79 154.53 17.23 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.383 -178.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 40.9 m -89.14 179.29 6.17 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.477 179.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 13' ' ' LEU . . . . . 0.503 HD12 HG13 ' D' ' 18' ' ' VAL . 59.9 tp -51.72 -59.38 4.36 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 112.513 0.561 . . . . 0.0 112.513 -179.158 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -65.58 -32.7 74.42 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 111.887 0.328 . . . . 0.0 111.887 -178.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -62.11 -44.91 95.62 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.777 0.323 . . . . 0.0 111.166 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 16' ' ' LEU . . . . . 0.823 HD11 ' H6 ' ' C' ' 22' ' ' IPH . 88.9 mt -66.75 -36.5 82.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.857 -179.309 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 17' ' ' GLU . . . . . 0.549 ' HA ' ' SG ' ' C' ' 20' ' ' CYS . 36.0 tt0 -59.98 -21.51 61.35 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.547 -179.256 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -70.68 -11.47 60.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.156 179.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -107.91 7.22 27.92 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -179.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 20' ' ' CYS . . . . . 0.549 ' SG ' ' HA ' ' C' ' 17' ' ' GLU . 64.9 m -71.79 142.59 49.69 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.805 -0.442 . . . . 0.0 109.805 179.074 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.311 -0.852 . . . . 0.0 110.011 -179.868 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.479 0.989 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 2' ' ' VAL . . . . . 0.916 HG11 ' HA ' ' G' ' 9' ' ' SER . 22.8 m -91.94 88.24 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.89 0.852 . . . . 0.0 110.759 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 3' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -170.86 -43.45 0.02 OUTLIER 'General case' 0 C--O 1.219 -0.523 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 4' ' ' GLN . . . . . 0.495 ' HA ' ' HB3' ' D' ' 7' ' ' CYS . 51.3 tt0 -55.12 -35.77 65.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.722 179.014 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 5' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -65.33 -19.96 66.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.448 179.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 35.9 mt -106.35 -24.47 12.25 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.637 0.732 . . . . 0.0 109.919 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 7' ' ' CYS . . . . . 0.545 ' SG ' HD21 ' D' ' 11' ' ' LEU . 0.0 OUTLIER -78.63 -44.24 24.36 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 114.86 -1.063 . . . . 0.0 111.297 -179.042 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 8' ' ' GLY . . . . . 0.582 ' HA2' ' HG ' ' D' ' 11' ' ' LEU . . . -58.68 -28.54 62.94 Favored Glycine 0 N--CA 1.451 -0.305 0 CA-C-N 115.911 -0.586 . . . . 0.0 114.076 -179.264 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 9' ' ' SER . . . . . 0.531 ' HB3' ' OH ' ' B' ' 16' ' ' TYR . 13.0 p -67.32 -12.58 60.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.003 0.43 . . . . 0.0 111.625 -179.59 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 10' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -109.82 -18.72 13.36 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.784 -0.366 . . . . 0.0 111.389 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 11' ' ' LEU . . . . . 0.593 HD22 ' H2 ' ' C' ' 22' ' ' IPH . 3.1 mt -72.26 -32.68 66.88 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.315 -0.995 . . . . 0.0 108.315 178.089 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . 0.524 ' HA ' HD12 ' D' ' 15' ' ' LEU . 2.4 m -65.66 -37.26 79.56 Favored 'Isoleucine or valine' 0 C--O 1.231 0.091 0 CA-C-N 115.351 -0.841 . . . . 0.0 111.574 179.289 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 13' ' ' GLU . . . . . 0.596 ' HA ' ' CE2' ' D' ' 16' ' ' TYR . 21.5 mt-10 -61.85 -40.86 96.79 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 121.506 0.669 . . . . 0.0 109.239 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.13 -33.28 65.43 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.364 -0.834 . . . . 0.0 110.707 178.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 15' ' ' LEU . . . . . 0.524 HD12 ' HA ' ' D' ' 12' ' ' VAL . 16.6 mt -58.18 -57.81 11.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.015 -0.538 . . . . 0.0 112.208 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 16' ' ' TYR . . . . . 0.675 ' HB2' ' HG3' ' B' ' 28' ' ' PRO . 4.2 p90 -63.45 -25.12 68.12 Favored 'General case' 0 C--O 1.235 0.294 0 C-N-CA 120.325 -0.55 . . . . 0.0 110.708 -178.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . 0.495 HD23 HD23 ' J' ' 17' ' ' LEU . 49.2 tp -73.45 -46.36 48.82 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.033 179.557 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . 0.503 HG13 HD12 ' C' ' 13' ' ' LEU . 43.0 t -64.44 -43.66 96.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.062 179.039 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 19' ' ' CYS . . . . . 0.775 ' HB3' ' HB2' ' D' ' 22' ' ' ARG . 79.0 m -66.82 -20.53 65.95 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.393 178.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.26 63.62 3.85 Favored Glycine 0 C--N 1.331 0.297 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.364 179.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 73.29 -3.74 2.38 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 123.475 0.71 . . . . 0.0 111.806 -179.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 22' ' ' ARG . . . . . 0.775 ' HB2' ' HB3' ' D' ' 19' ' ' CYS . 77.1 mtm180 -78.0 147.84 34.66 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 177.041 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 23' ' ' GLY . . . . . 0.78 ' HA2' ' HD2' ' B' ' 28' ' ' PRO . . . -75.73 -179.02 44.6 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.436 -0.888 . . . . 0.0 112.614 -179.183 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 24' ' ' PHE . . . . . 0.541 ' HE2' ' HB3' ' D' ' 16' ' ' TYR . 24.8 p90 -167.15 166.46 14.98 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 179.606 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 25' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -107.82 126.73 53.0 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 178.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 26' ' ' TYR . . . . . 0.557 ' CE1' HG22 ' C' ' 3' ' ' VAL . 83.3 t80 -119.54 110.36 16.8 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.113 0.482 . . . . 0.0 110.793 -179.274 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 27' ' ' THR . . . . . 0.664 HG22 ' HA3' ' B' ' 23' ' ' GLY . 5.7 p -118.92 96.4 50.1 Favored Pre-proline 0 C--N 1.316 -0.854 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.521 179.312 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 28' ' ' PRO . . . . . 0.784 ' HD2' ' HA2' ' B' ' 23' ' ' GLY . 41.1 Cg_endo -68.66 58.34 1.08 Allowed 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 123.188 2.592 . . . . 0.0 112.871 -178.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 29' ' ' LYS . . . . . 0.558 ' HG2' ' H ' ' D' ' 30' ' ' THR . 68.2 tttt -159.4 -165.64 1.61 Allowed 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 107.71 -1.218 . . . . 0.0 107.71 -179.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 30' ' ' THR . . . . . 0.558 ' H ' ' HG2' ' D' ' 29' ' ' LYS . 14.6 t . . . . . 0 C--O 1.253 1.266 0 CA-C-O 118.043 -0.979 . . . . 0.0 108.706 178.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.632 0 N-CA-C 112.231 -0.348 . . . . 0.0 112.231 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' E' E ' 2' ' ' ILE . . . . . 0.471 HD11 HD11 ' F' ' 15' ' ' LEU . 3.3 tt -58.83 -49.69 82.05 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -179.049 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 3' ' ' VAL . . . . . 0.594 HG21 ' HA ' ' F' ' 28' ' ' PRO . 19.8 t -70.05 -19.93 22.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.201 0.524 . . . . 0.0 110.524 -179.524 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 4' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -81.49 -59.5 2.6 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.094 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -59.19 -53.15 61.56 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.808 -0.633 . . . . 0.0 112.319 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 6' ' ' CYS . . . . . 0.408 ' O ' ' HA ' ' E' ' 10' ' ' ILE . 81.0 m -68.39 -3.3 10.72 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 113.501 0.926 . . . . 0.0 113.501 -177.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 7' ' ' CYS . . . . . . . . . . . . . 25.4 t -116.63 -27.78 6.59 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.204 -0.598 . . . . 0.0 111.124 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 8' ' ' THR . . . . . 0.498 ' O ' HG21 ' J' ' 2' ' ' VAL . 30.7 p -83.62 -22.91 32.07 Favored 'General case' 0 C--N 1.331 -0.228 0 O-C-N 122.183 -0.323 . . . . 0.0 111.186 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 9' ' ' SER . . . . . 0.962 ' HA ' HG11 ' J' ' 2' ' ' VAL . 19.7 m -147.09 -6.05 0.5 Allowed 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 111.772 0.286 . . . . 0.0 111.772 -179.653 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 10' ' ' ILE . . . . . 0.79 HD13 ' HB ' ' J' ' 2' ' ' VAL . 1.9 mp 67.86 135.97 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.468 0 O-C-N 123.628 0.58 . . . . 0.0 111.291 179.237 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 11' ' ' CYS . . . . . . . . . . . . . 56.7 m -98.32 153.71 18.34 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.018 0.437 . . . . 0.0 111.442 -178.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 12' ' ' SER . . . . . . . . . . . . . 25.5 m -88.22 179.28 6.4 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.546 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 13' ' ' LEU . . . . . 0.528 HD12 HG13 ' F' ' 18' ' ' VAL . 59.8 tp -51.64 -59.56 4.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.87 -0.605 . . . . 0.0 112.469 -179.314 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -65.82 -31.96 73.21 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -178.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -62.89 -44.5 95.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.76 0.314 . . . . 0.0 110.932 179.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 16' ' ' LEU . . . . . 0.803 HD11 ' H6 ' ' E' ' 22' ' ' IPH . 89.9 mt -66.81 -36.95 83.56 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.888 -179.596 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 17' ' ' GLU . . . . . 0.544 ' HA ' ' SG ' ' E' ' 20' ' ' CYS . 38.0 tt0 -59.53 -22.01 61.06 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 120.888 0.375 . . . . 0.0 111.561 -179.008 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 18' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -69.45 -13.52 62.4 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.643 0.259 . . . . 0.0 111.12 179.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 19' ' ' TYR . . . . . 0.424 ' CE2' ' HB ' ' E' ' 2' ' ' ILE . 82.1 m-85 -105.67 5.68 31.32 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -178.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 20' ' ' CYS . . . . . 0.544 ' SG ' ' HA ' ' E' ' 17' ' ' GLU . 64.1 m -70.34 142.11 52.2 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 178.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 21' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.494 -0.765 . . . . 0.0 110.15 -179.747 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' F' F ' 1' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.48 1.052 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 2' ' ' VAL . . . . . 0.94 HG11 ' HA ' ' A' ' 9' ' ' SER . 22.7 m -90.38 86.99 2.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.917 0.865 . . . . 0.0 110.86 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 3' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 -169.55 -43.44 0.02 OUTLIER 'General case' 0 C--O 1.218 -0.586 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -179.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 4' ' ' GLN . . . . . 0.488 ' HA ' ' HB3' ' F' ' 7' ' ' CYS . 51.6 tt0 -55.41 -35.57 65.5 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.908 179.222 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 5' ' ' HIS . . . . . . . . . . . . . 75.5 t60 -65.27 -20.36 66.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.419 179.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 6' ' ' LEU . . . . . . . . . . . . . 35.5 mt -105.91 -24.89 12.34 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.634 0.73 . . . . 0.0 109.993 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 7' ' ' CYS . . . . . 0.545 ' SG ' HD21 ' F' ' 11' ' ' LEU . 0.0 OUTLIER -78.37 -44.66 24.46 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 114.742 -1.117 . . . . 0.0 111.276 -178.935 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' F' F ' 8' ' ' GLY . . . . . 0.583 ' HA2' ' HG ' ' F' ' 11' ' ' LEU . . . -58.25 -28.23 61.35 Favored Glycine 0 N--CA 1.45 -0.409 0 CA-C-N 115.967 -0.561 . . . . 0.0 114.069 -179.313 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 9' ' ' SER . . . . . 0.528 ' HB3' ' OH ' ' H' ' 16' ' ' TYR . 14.2 p -67.72 -12.39 60.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.022 0.439 . . . . 0.0 111.552 -179.471 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 10' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -109.75 -18.79 13.36 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.285 -179.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 11' ' ' LEU . . . . . 0.595 HD22 ' H2 ' ' E' ' 22' ' ' IPH . 3.0 mt -72.42 -32.58 66.46 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 178.286 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 12' ' ' VAL . . . . . 0.522 ' HA ' HD12 ' F' ' 15' ' ' LEU . 2.6 m -65.54 -37.26 79.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.499 179.154 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 13' ' ' GLU . . . . . 0.588 ' HA ' ' CE2' ' F' ' 16' ' ' TYR . 21.3 mt-10 -61.94 -40.73 96.54 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 121.506 0.669 . . . . 0.0 109.388 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.53 -33.07 64.55 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.492 178.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 15' ' ' LEU . . . . . 0.522 HD12 ' HA ' ' F' ' 12' ' ' VAL . 16.0 mt -58.38 -57.47 12.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.072 -0.513 . . . . 0.0 112.154 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 16' ' ' TYR . . . . . 0.702 ' HB2' ' HG3' ' H' ' 28' ' ' PRO . 3.9 p90 -63.91 -24.97 67.94 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 120.437 -0.505 . . . . 0.0 110.761 -178.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 17' ' ' LEU . . . . . 0.475 HD23 HD23 ' L' ' 17' ' ' LEU . 50.8 tp -73.76 -46.16 47.47 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.874 179.561 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . 0.528 HG13 HD12 ' E' ' 13' ' ' LEU . 43.3 t -64.24 -44.34 97.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.903 179.041 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 19' ' ' CYS . . . . . 0.768 ' HB3' ' HB2' ' F' ' 22' ' ' ARG . 84.1 m -66.27 -20.53 66.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.393 179.046 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 20' ' ' GLY . . . . . 0.403 ' O ' ' HB2' ' F' ' 21' ' ' GLU . . . 66.58 62.14 4.8 Favored Glycine 0 C--N 1.33 0.205 0 C-N-CA 121.014 -0.612 . . . . 0.0 112.563 179.108 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 21' ' ' GLU . . . . . 0.403 ' HB2' ' O ' ' F' ' 20' ' ' GLY . 68.9 mt-10 75.17 -4.39 2.39 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.68 0.792 . . . . 0.0 111.583 -179.419 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 22' ' ' ARG . . . . . 0.768 ' HB2' ' HB3' ' F' ' 19' ' ' CYS . 76.5 mtm180 -77.41 147.97 35.74 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 177.233 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 23' ' ' GLY . . . . . 0.772 ' HA2' ' HD2' ' H' ' 28' ' ' PRO . . . -76.46 179.93 48.01 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.424 -0.893 . . . . 0.0 112.517 -179.132 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 24' ' ' PHE . . . . . 0.558 ' HE2' ' HB3' ' F' ' 16' ' ' TYR . 24.6 p90 -165.91 167.58 16.59 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 179.48 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 25' ' ' PHE . . . . . . . . . . . . . 11.1 p90 -108.92 126.62 53.27 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 178.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 26' ' ' TYR . . . . . 0.548 ' CE1' HG22 ' E' ' 3' ' ' VAL . 83.7 t80 -119.36 110.5 17.03 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.889 0.376 . . . . 0.0 110.816 -179.094 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 27' ' ' THR . . . . . 0.674 HG22 ' HA3' ' H' ' 23' ' ' GLY . 6.2 p -119.09 96.27 49.98 Favored Pre-proline 0 C--N 1.316 -0.883 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 179.165 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 28' ' ' PRO . . . . . 0.76 ' HD2' ' HA2' ' H' ' 23' ' ' GLY . 42.0 Cg_endo -68.48 58.46 1.03 Allowed 'Trans proline' 0 C--N 1.352 0.743 0 C-N-CA 123.346 2.698 . . . . 0.0 112.783 -178.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 29' ' ' LYS . . . . . 0.557 ' HG2' ' H ' ' F' ' 30' ' ' THR . 66.5 tttt -158.62 -163.66 1.3 Allowed 'General case' 0 N--CA 1.444 -0.756 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 -179.743 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 30' ' ' THR . . . . . 0.557 ' H ' ' HG2' ' F' ' 29' ' ' LYS . 13.3 t . . . . . 0 C--O 1.25 1.129 0 CA-C-O 118.141 -0.933 . . . . 0.0 109.185 179.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.232 0 N-CA-C 111.735 -0.546 . . . . 0.0 111.735 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' G' G ' 2' ' ' ILE . . . . . 0.45 HD11 HD11 ' H' ' 15' ' ' LEU . 3.7 tt -58.96 -50.6 79.07 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 3' ' ' VAL . . . . . 0.59 HG21 ' HA ' ' H' ' 28' ' ' PRO . 18.7 t -69.43 -20.21 23.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.463 0.649 . . . . 0.0 110.835 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 4' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -80.3 -61.08 2.09 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.008 179.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 5' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -57.87 -53.32 59.6 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.636 -0.711 . . . . 0.0 112.606 -179.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 6' ' ' CYS . . . . . . . . . . . . . 82.8 m -68.55 -2.72 9.49 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 -178.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 7' ' ' CYS . . . . . . . . . . . . . 24.8 t -116.88 -28.3 6.34 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.26 -0.576 . . . . 0.0 110.994 179.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 8' ' ' THR . . . . . 0.495 ' O ' HG21 ' D' ' 2' ' ' VAL . 31.2 p -82.82 -23.32 33.84 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.935 -0.306 . . . . 0.0 111.218 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 9' ' ' SER . . . . . 0.916 ' HA ' HG11 ' D' ' 2' ' ' VAL . 20.2 m -146.82 -7.03 0.5 Allowed 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.676 -179.626 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 10' ' ' ILE . . . . . 0.799 HD13 ' HB ' ' D' ' 2' ' ' VAL . 1.9 mp 68.44 133.94 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 CA-C-O 121.575 0.702 . . . . 0.0 111.443 179.277 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 11' ' ' CYS . . . . . . . . . . . . . 54.0 m -96.29 153.6 17.72 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.621 -178.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 12' ' ' SER . . . . . . . . . . . . . 19.9 m -89.0 178.09 6.49 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.447 179.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 13' ' ' LEU . . . . . 0.499 HD12 HG13 ' H' ' 18' ' ' VAL . 57.7 tp -50.2 -60.13 3.27 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 123.15 0.58 . . . . 0.0 112.542 -179.276 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -64.93 -32.29 73.93 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 -178.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -63.22 -44.53 95.03 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.77 0.319 . . . . 0.0 111.09 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 16' ' ' LEU . . . . . 0.825 HD11 ' H6 ' ' G' ' 22' ' ' IPH . 89.1 mt -66.86 -35.95 81.21 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.882 -179.509 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 17' ' ' GLU . . . . . 0.555 ' HA ' ' SG ' ' G' ' 20' ' ' CYS . 37.1 tt0 -60.56 -21.19 62.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.966 0.412 . . . . 0.0 111.618 -179.136 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 18' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -71.11 -11.94 61.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.746 0.308 . . . . 0.0 111.244 179.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 19' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -106.99 7.31 29.8 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 -179.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 20' ' ' CYS . . . . . 0.555 ' SG ' ' HA ' ' G' ' 17' ' ' GLU . 67.1 m -71.61 143.61 49.75 Favored 'General case' 0 C--O 1.236 0.384 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 178.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 21' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.494 -0.765 . . . . 0.0 110.339 -179.52 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' H' H ' 1' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.478 0.966 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 2' ' ' VAL . . . . . 0.957 HG11 ' HA ' ' K' ' 9' ' ' SER . 21.0 m -90.61 88.33 2.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.69 0.757 . . . . 0.0 110.593 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 3' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -170.44 -43.98 0.02 OUTLIER 'General case' 0 C--O 1.218 -0.554 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 -179.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 4' ' ' GLN . . . . . 0.494 ' HA ' ' HB3' ' H' ' 7' ' ' CYS . 51.7 tt0 -55.11 -35.91 65.15 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.676 178.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 5' ' ' HIS . . . . . . . . . . . . . 76.4 t60 -65.48 -19.72 66.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.475 179.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 6' ' ' LEU . . . . . . . . . . . . . 35.5 mt -106.67 -23.75 12.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.602 0.715 . . . . 0.0 109.981 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 7' ' ' CYS . . . . . 0.548 ' SG ' HD21 ' H' ' 11' ' ' LEU . 0.0 OUTLIER -79.45 -44.6 21.02 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 114.87 -1.059 . . . . 0.0 111.229 -178.796 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' H' H ' 8' ' ' GLY . . . . . 0.573 ' HA2' ' HG ' ' H' ' 11' ' ' LEU . . . -58.32 -28.48 61.88 Favored Glycine 0 N--CA 1.451 -0.327 0 CA-C-N 116.049 -0.523 . . . . 0.0 114.141 -179.399 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 9' ' ' SER . . . . . 0.533 ' HB3' ' OH ' ' F' ' 16' ' ' TYR . 13.3 p -67.33 -12.45 60.2 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.945 0.402 . . . . 0.0 111.46 -179.382 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 10' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -109.89 -18.59 13.36 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.705 0.288 . . . . 0.0 111.454 -179.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 11' ' ' LEU . . . . . 0.593 HD22 ' H2 ' ' G' ' 22' ' ' IPH . 3.2 mt -72.64 -32.9 66.24 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 178.229 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 12' ' ' VAL . . . . . 0.53 ' HA ' HD12 ' H' ' 15' ' ' LEU . 2.4 m -65.24 -37.42 80.12 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.498 179.297 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 13' ' ' GLU . . . . . 0.59 ' HA ' ' CE2' ' H' ' 16' ' ' TYR . 20.9 mt-10 -61.74 -41.08 97.19 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.507 0.67 . . . . 0.0 109.376 179.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.08 -33.56 65.7 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.545 178.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 15' ' ' LEU . . . . . 0.53 HD12 ' HA ' ' H' ' 12' ' ' VAL . 16.7 mt -57.95 -57.68 11.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.209 -179.63 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 16' ' ' TYR . . . . . 0.705 ' HB2' ' HG3' ' F' ' 28' ' ' PRO . 4.0 p90 -63.63 -25.46 68.23 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 120.467 -0.493 . . . . 0.0 110.527 -179.074 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 17' ' ' LEU . . . . . 0.478 HD23 HD23 ' B' ' 17' ' ' LEU . 50.4 tp -73.2 -45.98 53.15 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.894 -0.593 . . . . 0.0 109.918 179.554 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . 0.499 HG13 HD12 ' G' ' 13' ' ' LEU . 42.5 t -65.02 -42.97 96.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.043 179.119 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 19' ' ' CYS . . . . . 0.732 ' HB3' ' HB2' ' H' ' 22' ' ' ARG . 81.2 m -68.13 -18.36 64.61 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.277 179.131 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.48 63.65 4.14 Favored Glycine 0 C--N 1.331 0.261 0 C-N-CA 120.969 -0.634 . . . . 0.0 112.445 179.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 21' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 73.18 -2.99 2.56 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 123.424 0.69 . . . . 0.0 111.819 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 22' ' ' ARG . . . . . 0.732 ' HB2' ' HB3' ' H' ' 19' ' ' CYS . 76.6 mtm180 -78.85 148.24 32.89 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 107.842 -1.169 . . . . 0.0 107.842 177.057 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 23' ' ' GLY . . . . . 0.76 ' HA2' ' HD2' ' F' ' 28' ' ' PRO . . . -75.94 -178.67 44.58 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.227 -0.987 . . . . 0.0 112.804 -179.155 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 24' ' ' PHE . . . . . 0.547 ' HE2' ' HB3' ' H' ' 16' ' ' TYR . 24.6 p90 -167.28 167.37 14.13 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 179.512 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 25' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -109.07 126.65 53.39 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 178.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 26' ' ' TYR . . . . . 0.553 ' CE1' HG22 ' G' ' 3' ' ' VAL . 83.0 t80 -119.45 110.87 17.42 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.962 0.41 . . . . 0.0 110.821 -179.171 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 27' ' ' THR . . . . . 0.669 HG22 ' HA3' ' F' ' 23' ' ' GLY . 3.3 p -119.54 95.83 49.43 Favored Pre-proline 0 C--N 1.316 -0.89 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.514 179.426 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 28' ' ' PRO . . . . . 0.772 ' HD2' ' HA2' ' F' ' 23' ' ' GLY . 38.5 Cg_endo -68.21 57.95 0.92 Allowed 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 123.354 2.703 . . . . 0.0 112.974 -178.705 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 29' ' ' LYS . . . . . 0.545 ' HG2' ' H ' ' H' ' 30' ' ' THR . 65.4 tttt -157.96 -163.58 1.35 Allowed 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.653 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 30' ' ' THR . . . . . 0.545 ' H ' ' HG2' ' H' ' 29' ' ' LYS . 13.2 t . . . . . 0 C--O 1.254 1.311 0 CA-C-O 118.077 -0.963 . . . . 0.0 108.852 178.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.753 0 N-CA-C 111.79 -0.524 . . . . 0.0 111.79 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' I' I ' 2' ' ' ILE . . . . . 0.462 HD11 HD11 ' J' ' 15' ' ' LEU . 3.8 tt -57.35 -50.8 75.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -179.48 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 3' ' ' VAL . . . . . 0.59 HG21 ' HA ' ' J' ' 28' ' ' PRO . 18.9 t -69.24 -19.95 23.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.463 0.649 . . . . 0.0 110.715 -179.646 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 4' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -80.75 -60.01 2.46 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.124 179.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 5' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -58.77 -53.41 58.63 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.649 -0.705 . . . . 0.0 112.577 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 6' ' ' CYS . . . . . 0.408 ' O ' ' HA ' ' I' ' 10' ' ' ILE . 79.7 m -68.13 -3.22 9.72 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 113.596 0.961 . . . . 0.0 113.596 -177.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 7' ' ' CYS . . . . . . . . . . . . . 25.5 t -116.57 -29.23 6.19 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.241 -0.584 . . . . 0.0 110.961 179.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 8' ' ' THR . . . . . 0.481 ' O ' HG21 ' B' ' 2' ' ' VAL . 27.7 p -82.32 -23.0 35.37 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.913 -0.315 . . . . 0.0 111.399 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 9' ' ' SER . . . . . 0.91 ' HA ' HG11 ' B' ' 2' ' ' VAL . 27.8 m -146.87 -6.64 0.5 Allowed 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.987 -0.285 . . . . 0.0 111.694 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 10' ' ' ILE . . . . . 0.786 HD13 ' HB ' ' B' ' 2' ' ' VAL . 1.9 mp 68.33 136.13 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 CA-C-O 121.501 0.667 . . . . 0.0 111.322 179.358 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 11' ' ' CYS . . . . . . . . . . . . . 57.8 m -97.8 154.84 17.35 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.43 -178.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 12' ' ' SER . . . . . . . . . . . . . 24.8 m -89.46 -179.71 5.88 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.295 179.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 13' ' ' LEU . . . . . 0.488 HD12 HG13 ' J' ' 18' ' ' VAL . 60.0 tp -52.83 -58.82 5.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.041 -0.527 . . . . 0.0 112.28 -178.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -65.65 -33.48 75.99 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -178.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -61.19 -44.96 96.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.72 0.295 . . . . 0.0 111.032 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 16' ' ' LEU . . . . . 0.806 HD11 ' H6 ' ' I' ' 22' ' ' IPH . 89.8 mt -66.79 -37.02 83.74 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.983 -179.511 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 17' ' ' GLU . . . . . 0.566 ' HA ' ' SG ' ' I' ' 20' ' ' CYS . 37.8 tt0 -59.93 -20.67 58.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.927 0.394 . . . . 0.0 111.647 -179.14 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 18' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -70.81 -13.11 61.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.989 179.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 19' ' ' TYR . . . . . 0.412 ' CE2' ' HB ' ' I' ' 2' ' ' ILE . 81.9 m-85 -106.19 6.21 30.63 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.038 0.384 . . . . 0.0 112.038 -179.028 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 20' ' ' CYS . . . . . 0.566 ' SG ' ' HA ' ' I' ' 17' ' ' GLU . 65.0 m -70.72 142.89 51.44 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 179.217 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 21' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 . . . . . 0 C--O 1.246 0.9 0 CA-C-O 118.211 -0.9 . . . . 0.0 109.911 -179.883 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' J' J ' 1' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.48 1.063 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 2' ' ' VAL . . . . . 0.962 HG11 ' HA ' ' E' ' 9' ' ' SER . 19.7 m -92.08 86.02 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.913 0.863 . . . . 0.0 110.882 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 3' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -168.14 -43.57 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 -179.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 4' ' ' GLN . . . . . 0.509 ' HA ' ' HB3' ' J' ' 7' ' ' CYS . 52.2 tt0 -54.96 -36.42 65.3 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.677 179.038 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 5' ' ' HIS . . . . . . . . . . . . . 75.2 t60 -64.67 -20.19 66.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.552 179.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 6' ' ' LEU . . . . . . . . . . . . . 35.1 mt -106.3 -24.25 12.33 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.734 0.778 . . . . 0.0 109.974 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 7' ' ' CYS . . . . . 0.539 ' SG ' HD21 ' J' ' 11' ' ' LEU . 0.0 OUTLIER -78.96 -44.35 22.65 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.711 -1.131 . . . . 0.0 111.271 -178.925 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' J' J ' 8' ' ' GLY . . . . . 0.564 ' HA2' ' HG ' ' J' ' 11' ' ' LEU . . . -58.68 -28.55 62.96 Favored Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.919 -0.582 . . . . 0.0 113.922 -179.138 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 9' ' ' SER . . . . . 0.523 ' HB3' ' OH ' ' L' ' 16' ' ' TYR . 15.8 p -67.38 -12.82 61.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 117.063 0.431 . . . . 0.0 111.4 -179.279 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 10' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -109.69 -18.11 13.54 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.926 -0.309 . . . . 0.0 111.425 -179.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 11' ' ' LEU . . . . . 0.586 HD22 ' H2 ' ' I' ' 22' ' ' IPH . 3.3 mt -72.94 -32.56 65.35 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 178.2 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 12' ' ' VAL . . . . . 0.541 ' HA ' HD12 ' J' ' 15' ' ' LEU . 2.5 m -65.7 -37.12 79.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.444 179.127 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 13' ' ' GLU . . . . . 0.58 ' HA ' ' CE2' ' J' ' 16' ' ' TYR . 22.1 mt-10 -61.76 -41.21 97.39 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-O 121.464 0.649 . . . . 0.0 109.406 179.634 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.11 -33.1 65.36 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.7 178.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 15' ' ' LEU . . . . . 0.541 HD12 ' HA ' ' J' ' 12' ' ' VAL . 16.6 mt -58.15 -57.5 12.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.023 -0.535 . . . . 0.0 112.055 -179.65 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 16' ' ' TYR . . . . . 0.698 ' HB2' ' HG3' ' L' ' 28' ' ' PRO . 3.8 p90 -63.69 -25.51 68.24 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-O 121.18 0.514 . . . . 0.0 110.643 -179.112 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 17' ' ' LEU . . . . . 0.495 HD23 HD23 ' D' ' 17' ' ' LEU . 49.6 tp -73.33 -46.46 49.27 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.924 179.463 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 18' ' ' VAL . . . . . 0.492 HG21 HD12 ' I' ' 16' ' ' LEU . 42.9 t -64.03 -44.15 97.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.021 179.067 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 19' ' ' CYS . . . . . 0.761 ' HB3' ' HB2' ' J' ' 22' ' ' ARG . 80.8 m -66.81 -19.1 65.68 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.48 179.004 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.83 64.05 3.8 Favored Glycine 0 C--N 1.33 0.206 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.481 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 21' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 72.95 -3.57 2.38 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.205 0.602 . . . . 0.0 111.854 -179.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 22' ' ' ARG . . . . . 0.761 ' HB2' ' HB3' ' J' ' 19' ' ' CYS . 77.2 mtm180 -78.42 147.95 33.81 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 177.294 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 23' ' ' GLY . . . . . 0.796 ' HA2' ' HD2' ' L' ' 28' ' ' PRO . . . -75.76 -178.88 44.45 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.206 -0.997 . . . . 0.0 112.719 -179.191 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 24' ' ' PHE . . . . . 0.54 ' HE2' ' HB3' ' J' ' 16' ' ' TYR . 24.8 p90 -167.04 166.77 15.04 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 25' ' ' PHE . . . . . . . . . . . . . 11.0 p90 -108.38 126.24 52.65 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.387 -0.598 . . . . 0.0 109.387 178.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 26' ' ' TYR . . . . . 0.537 ' CE1' HG22 ' I' ' 3' ' ' VAL . 83.4 t80 -118.99 110.57 17.28 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.882 0.372 . . . . 0.0 110.81 -179.232 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 27' ' ' THR . . . . . 0.677 HG22 ' HA3' ' L' ' 23' ' ' GLY . 4.5 p -119.21 96.0 49.7 Favored Pre-proline 0 C--N 1.316 -0.884 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 179.521 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 28' ' ' PRO . . . . . 0.795 ' HD2' ' HA2' ' L' ' 23' ' ' GLY . 39.3 Cg_endo -68.27 58.2 0.95 Allowed 'Trans proline' 0 C--N 1.353 0.797 0 C-N-CA 123.284 2.656 . . . . 0.0 112.85 -178.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 29' ' ' LYS . . . . . 0.532 ' HG2' ' H ' ' J' ' 30' ' ' THR . 63.6 tttt -157.82 -161.51 1.04 Allowed 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 30' ' ' THR . . . . . 0.532 ' H ' ' HG2' ' J' ' 29' ' ' LYS . 12.0 t . . . . . 0 C--O 1.254 1.328 0 CA-C-O 117.616 -1.183 . . . . 0.0 108.34 179.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.325 0 N-CA-C 111.76 -0.536 . . . . 0.0 111.76 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' K' K ' 2' ' ' ILE . . . . . 0.474 HD11 HD11 ' L' ' 15' ' ' LEU . 3.5 tt -61.03 -50.89 78.71 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 CA-C-N 116.97 0.385 . . . . 0.0 111.751 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' K' K ' 3' ' ' VAL . . . . . 0.591 HG21 ' HA ' ' L' ' 28' ' ' PRO . 19.1 t -68.93 -19.73 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.498 0.666 . . . . 0.0 110.753 -179.658 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' K' K ' 4' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -80.79 -60.46 2.3 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.064 179.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 5' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -58.54 -53.3 59.84 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.672 -0.695 . . . . 0.0 112.454 -179.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 6' ' ' CYS . . . . . . . . . . . . . 84.0 m -68.47 -2.98 9.85 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -178.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 7' ' ' CYS . . . . . . . . . . . . . 24.6 t -116.55 -29.19 6.21 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.14 -0.624 . . . . 0.0 111.019 179.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 8' ' ' THR . . . . . 0.475 ' O ' HG21 ' H' ' 2' ' ' VAL . 30.5 p -82.53 -22.34 35.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.748 0.308 . . . . 0.0 111.236 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' K' K ' 9' ' ' SER . . . . . 0.957 ' HA ' HG11 ' H' ' 2' ' ' VAL . 38.1 m -147.82 -5.36 0.47 Allowed 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.672 -0.411 . . . . 0.0 111.705 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' K' K ' 10' ' ' ILE . . . . . 0.787 HD13 ' HB ' ' H' ' 2' ' ' VAL . 1.9 mp 66.91 133.29 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 CA-C-O 121.58 0.705 . . . . 0.0 111.658 179.149 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' K' K ' 11' ' ' CYS . . . . . . . . . . . . . 55.9 m -95.36 153.87 17.47 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.615 -179.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 12' ' ' SER . . . . . . . . . . . . . 26.1 m -89.75 177.54 6.49 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.51 179.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 13' ' ' LEU . . . . . 0.49 HD12 HG13 ' L' ' 18' ' ' VAL . 59.0 tp -49.21 -60.94 2.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.899 -0.591 . . . . 0.0 112.587 -178.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -64.65 -32.18 73.73 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -178.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -63.1 -44.83 94.57 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.664 0.268 . . . . 0.0 111.084 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 16' ' ' LEU . . . . . 0.811 HD11 ' H6 ' ' K' ' 22' ' ' IPH . 89.3 mt -66.15 -36.89 84.31 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.861 -179.547 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' K' K ' 17' ' ' GLU . . . . . 0.56 ' HA ' ' SG ' ' K' ' 20' ' ' CYS . 36.4 tt0 -59.83 -21.23 60.63 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.602 -179.086 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' K' K ' 18' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -70.66 -11.4 60.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.176 179.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 19' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -107.51 6.01 27.67 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -178.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 20' ' ' CYS . . . . . 0.56 ' SG ' ' HA ' ' K' ' 17' ' ' GLU . 65.1 m -70.72 142.23 51.48 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 179.261 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' K' K ' 21' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 . . . . . 0 C--O 1.246 0.898 0 CA-C-O 118.234 -0.888 . . . . 0.0 109.745 -179.902 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' L' L ' 1' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.481 1.095 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 2' ' ' VAL . . . . . 0.951 HG11 ' HA ' ' C' ' 9' ' ' SER . 20.9 m -90.88 87.07 2.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.797 0.808 . . . . 0.0 110.87 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 3' ' ' ASN . . . . . . . . . . . . . 30.3 t-20 -169.48 -43.49 0.02 OUTLIER 'General case' 0 CA--C 1.512 -0.487 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -179.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 4' ' ' GLN . . . . . 0.5 ' HA ' ' HB3' ' L' ' 7' ' ' CYS . 51.3 tt0 -55.71 -35.6 66.26 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.718 179.298 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 5' ' ' HIS . . . . . . . . . . . . . 75.2 t60 -65.1 -20.52 66.51 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.518 179.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 6' ' ' LEU . . . . . . . . . . . . . 36.0 mt -105.61 -24.92 12.46 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.696 0.76 . . . . 0.0 109.911 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 7' ' ' CYS . . . . . 0.539 ' SG ' HD21 ' L' ' 11' ' ' LEU . 0.0 OUTLIER -78.32 -44.64 24.69 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 114.725 -1.125 . . . . 0.0 111.297 -178.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' L' L ' 8' ' ' GLY . . . . . 0.589 ' HA2' ' HG ' ' L' ' 11' ' ' LEU . . . -58.15 -28.68 61.66 Favored Glycine 0 N--CA 1.45 -0.404 0 CA-C-N 116.036 -0.529 . . . . 0.0 114.121 -179.441 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 9' ' ' SER . . . . . 0.533 ' HB3' ' OH ' ' J' ' 16' ' ' TYR . 13.2 p -67.26 -12.63 60.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.923 0.392 . . . . 0.0 111.543 -179.43 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 10' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -109.68 -18.89 13.36 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.349 -179.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 11' ' ' LEU . . . . . 0.589 ' HG ' ' HA2' ' L' ' 8' ' ' GLY . 3.0 mt -72.31 -32.65 66.74 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 178.409 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 12' ' ' VAL . . . . . 0.513 ' HA ' HD12 ' L' ' 15' ' ' LEU . 2.5 m -65.59 -37.13 79.28 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-N 115.293 -0.867 . . . . 0.0 111.523 179.227 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 13' ' ' GLU . . . . . 0.592 ' HA ' ' CE2' ' L' ' 16' ' ' TYR . 21.9 mt-10 -61.95 -41.07 97.56 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 121.471 0.653 . . . . 0.0 109.292 179.607 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.2 -33.2 65.24 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.586 178.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 15' ' ' LEU . . . . . 0.513 HD12 ' HA ' ' L' ' 12' ' ' VAL . 16.4 mt -58.16 -57.5 12.57 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.237 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 16' ' ' TYR . . . . . 0.68 ' HB2' ' HG3' ' J' ' 28' ' ' PRO . 4.2 p90 -63.59 -25.6 68.31 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 120.422 -0.511 . . . . 0.0 110.641 -179.034 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 17' ' ' LEU . . . . . 0.475 HD23 HD23 ' F' ' 17' ' ' LEU . 49.4 tp -72.97 -46.89 49.8 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.948 179.495 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 18' ' ' VAL . . . . . 0.491 HG21 HD12 ' K' ' 16' ' ' LEU . 42.6 t -63.81 -42.62 96.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.392 178.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 19' ' ' CYS . . . . . 0.763 ' HB3' ' HB2' ' L' ' 22' ' ' ARG . 80.7 m -68.52 -18.83 64.45 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.312 179.183 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 20' ' ' GLY . . . . . 0.419 ' O ' ' HB2' ' L' ' 21' ' ' GLU . . . 65.1 62.65 4.75 Favored Glycine 0 C--N 1.33 0.234 0 C-N-CA 121.041 -0.6 . . . . 0.0 112.536 179.129 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 21' ' ' GLU . . . . . 0.419 ' HB2' ' O ' ' L' ' 20' ' ' GLY . 81.3 mt-10 74.34 -3.87 2.45 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.576 0.751 . . . . 0.0 111.755 -179.359 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 22' ' ' ARG . . . . . 0.763 ' HB2' ' HB3' ' L' ' 19' ' ' CYS . 77.4 mtm180 -77.78 147.65 35.19 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 177.09 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 23' ' ' GLY . . . . . 0.795 ' HA2' ' HD2' ' J' ' 28' ' ' PRO . . . -76.02 -178.79 44.99 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.126 -1.035 . . . . 0.0 112.835 -179.113 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 24' ' ' PHE . . . . . 0.538 ' HE2' ' HB3' ' L' ' 16' ' ' TYR . 25.0 p90 -166.95 167.32 14.83 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 179.683 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 25' ' ' PHE . . . . . . . . . . . . . 11.1 p90 -108.82 126.03 52.6 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 178.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 26' ' ' TYR . . . . . 0.541 ' CE1' HG22 ' K' ' 3' ' ' VAL . 83.2 t80 -119.0 110.65 17.36 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.986 0.422 . . . . 0.0 110.845 -179.14 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 27' ' ' THR . . . . . 0.672 HG22 ' HA3' ' J' ' 23' ' ' GLY . 5.1 p -118.96 95.82 49.64 Favored Pre-proline 0 C--N 1.315 -0.894 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.607 179.449 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 28' ' ' PRO . . . . . 0.796 ' HD2' ' HA2' ' J' ' 23' ' ' GLY . 41.6 Cg_endo -68.3 58.24 0.96 Allowed 'Trans proline' 0 C--N 1.353 0.781 0 C-N-CA 123.222 2.615 . . . . 0.0 113.027 -178.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 29' ' ' LYS . . . . . 0.544 ' HG2' ' H ' ' L' ' 30' ' ' THR . 66.6 tttt -159.56 -166.61 1.81 Allowed 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 -179.539 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 30' ' ' THR . . . . . 0.544 ' H ' ' HG2' ' L' ' 29' ' ' LYS . 14.5 t . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.324 -0.846 . . . . 0.0 109.309 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' IPH . . . . . 0.835 ' H6 ' HD11 ' A' ' 16' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 22' ' ' IPH . . . . . 0.823 ' H6 ' HD11 ' C' ' 16' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 22' ' ' IPH . . . . . 0.803 ' H6 ' HD11 ' E' ' 16' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 22' ' ' IPH . . . . . 0.825 ' H6 ' HD11 ' G' ' 16' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 22' ' ' IPH . . . . . 0.806 ' H6 ' HD11 ' I' ' 16' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 22' ' ' IPH . . . . . 0.811 ' H6 ' HD11 ' K' ' 16' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.469 ' O ' ' HG2' ' A' ' 5' ' ' GLN . . . . . . . . 0 N--CA 1.482 1.734 0 N-CA-C 112.144 -0.383 . . . . 0.0 112.144 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.454 ' CD1' HD11 ' B' ' 15' ' ' LEU . 10.5 tt -64.48 -41.75 93.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 120.704 0.288 . . . . 0.0 111.482 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.445 HG21 ' OG1' ' B' ' 30' ' ' THR . 33.0 m -71.33 -16.14 19.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.307 0.575 . . . . 0.0 111.095 179.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -84.56 -30.35 25.13 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.1 -0.954 . . . . 0.0 112.232 -179.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.61 ' HG3' ' SG ' ' A' ' 11' ' ' CYS . 16.7 pt20 -112.99 -32.35 6.39 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 113.172 0.805 . . . . 0.0 113.172 -178.269 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.407 ' HB3' ' H6 ' ' A' ' 22' ' ' IPH . 61.0 m -88.67 -36.58 16.14 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -178.029 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.755 ' HB2' HD11 ' B' ' 11' ' ' LEU . 43.3 t -83.29 -6.1 59.36 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.021 0.439 . . . . 0.0 111.41 -178.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.1 p -88.46 -56.48 3.29 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.3 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.429 ' O ' ' HB ' ' A' ' 10' ' ' ILE . 33.5 p -144.9 24.56 1.49 Allowed 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.461 -179.404 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.48 HD13 ' HB3' ' F' ' 3' ' ' ASN . 2.1 mp 71.53 138.38 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 CA-C-O 121.492 0.663 . . . . 0.0 111.439 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.61 ' SG ' ' HG3' ' A' ' 5' ' ' GLN . 91.5 m -94.32 156.0 16.73 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.611 179.23 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.4 m -71.92 163.27 28.14 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 178.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 23.9 tp -51.73 -51.33 56.95 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.215 0.531 . . . . 0.0 111.326 -179.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -62.43 -30.35 71.16 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.299 -0.864 . . . . 0.0 112.136 -178.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.4 ' HB2' ' HB3' ' A' ' 11' ' ' CYS . 75.5 mt-30 -70.74 -33.24 70.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.707 0.289 . . . . 0.0 111.276 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 94.6 mt -69.07 -29.19 67.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.929 0.395 . . . . 0.0 110.45 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -66.64 -17.54 64.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.093 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -68.3 -18.27 64.47 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.555 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -102.52 6.34 39.88 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.42 -178.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 2.3 m -72.08 155.34 40.4 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.464 0.65 . . . . 0.0 112.483 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 . . . . . 0 C--O 1.251 1.166 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.277 178.962 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 8.5 t80 . . . . . 0 N--CA 1.481 1.084 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 33.6 m 42.36 -146.15 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 C-N-CA 124.271 1.028 . . . . 0.0 113.252 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . 0.519 ' HB3' HD13 ' I' ' 10' ' ' ILE . 24.4 t-20 -157.6 176.27 12.84 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 -177.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . 0.788 ' HA ' ' HB3' ' B' ' 7' ' ' CYS . 0.1 OUTLIER -51.34 -27.88 10.85 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 123.445 0.698 . . . . 0.0 110.535 178.815 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . 0.408 ' CD2' HG21 ' I' ' 10' ' ' ILE . 59.2 t60 -59.91 -14.99 18.08 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.29 179.308 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.789 HD21 ' H4 ' ' I' ' 22' ' ' IPH . 14.6 mt -124.46 -13.84 7.01 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.244 0.545 . . . . 0.0 110.098 178.167 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . 0.788 ' HB3' ' HA ' ' B' ' 4' ' ' GLN . 1.7 t -85.44 -42.27 14.64 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.38 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . 0.467 ' HA3' ' OH ' ' B' ' 26' ' ' TYR . . . -64.26 -25.58 69.88 Favored Glycine 0 N--CA 1.451 -0.338 0 CA-C-N 115.944 -0.571 . . . . 0.0 114.079 -178.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . 0.682 ' HB2' ' HG2' ' D' ' 13' ' ' GLU . 78.4 p -64.18 -17.88 63.95 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.064 0.459 . . . . 0.0 111.321 -179.193 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . 0.712 ' HA ' ' HG3' ' B' ' 13' ' ' GLU . 92.5 m-70 -105.58 -19.57 13.73 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.383 -179.713 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.755 HD11 ' HB2' ' A' ' 7' ' ' CYS . 54.9 mt -68.89 -38.94 79.96 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 177.551 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.648 ' HA ' ' HB2' ' B' ' 15' ' ' LEU . 15.3 m -68.9 -27.68 36.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 CA-C-N 114.683 -1.144 . . . . 0.0 112.385 -179.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.712 ' HG3' ' HA ' ' B' ' 10' ' ' HIS . 24.4 mt-10 -59.25 -49.57 77.33 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.447 0.641 . . . . 0.0 109.558 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.2 -30.0 63.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.548 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.648 ' HB2' ' HA ' ' B' ' 12' ' ' VAL . 4.5 mt -55.22 -61.5 2.28 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.202 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . 0.918 ' HB2' ' HG3' ' D' ' 28' ' ' PRO . 3.3 p90 -72.13 -19.91 61.71 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.179 -0.609 . . . . 0.0 111.32 -178.691 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.482 HD11 ' H3 ' ' G' ' 22' ' ' IPH . 9.5 tt -66.77 -45.43 78.53 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 178.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 69.3 t -73.87 -40.48 53.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.467 178.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 2.3 t -64.97 -32.27 73.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.185 -179.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.81 -154.24 23.74 Favored Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.495 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -81.77 60.15 4.55 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.249 0.547 . . . . 0.0 111.03 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 66.0 mtt180 -121.11 -103.49 0.4 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.7 0.762 . . . . 0.0 110.36 179.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . 0.742 ' HA2' ' HD2' ' D' ' 28' ' ' PRO . . . 168.64 171.76 34.78 Favored Glycine 0 N--CA 1.439 -1.136 0 N-CA-C 109.67 -1.372 . . . . 0.0 109.67 -179.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . 0.771 ' CE1' ' HB3' ' B' ' 16' ' ' TYR . 11.4 p90 -160.12 160.6 33.18 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 117.435 0.617 . . . . 0.0 111.163 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . 0.534 ' HD1' ' HD1' ' D' ' 25' ' ' PHE . 15.8 m-85 -104.26 104.28 14.16 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.985 -1.007 . . . . 0.0 108.625 179.583 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.467 ' OH ' ' HA3' ' B' ' 8' ' ' GLY . 78.0 t80 -101.41 132.37 47.02 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.724 -179.483 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . 0.4 ' C ' ' H ' ' B' ' 29' ' ' LYS . 6.5 p -123.44 96.97 43.09 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.225 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . 0.913 ' HG3' ' HB2' ' D' ' 16' ' ' TYR . 96.2 Cg_endo -77.8 34.99 0.49 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.715 2.276 . . . . 0.0 111.645 179.259 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.4 ' H ' ' C ' ' B' ' 27' ' ' THR . 87.2 tttt -105.89 133.18 51.02 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.538 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . 0.445 ' OG1' HG21 ' A' ' 3' ' ' VAL . 23.7 m . . . . . 0 C--O 1.246 0.899 0 CA-C-O 118.527 -0.749 . . . . 0.0 109.56 -179.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 1' ' ' GLY . . . . . 0.477 ' O ' ' HG2' ' C' ' 5' ' ' GLN . . . . . . . . 0 N--CA 1.479 1.546 0 N-CA-C 111.553 -0.619 . . . . 0.0 111.553 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 2' ' ' ILE . . . . . 0.452 ' CD1' HD11 ' D' ' 15' ' ' LEU . 10.2 tt -66.06 -41.46 89.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 117.007 0.404 . . . . 0.0 111.342 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 3' ' ' VAL . . . . . 0.419 ' O ' ' HB3' ' C' ' 7' ' ' CYS . 33.5 m -70.44 -18.63 21.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.243 0.545 . . . . 0.0 110.814 179.641 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -81.68 -31.44 32.21 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.215 -0.902 . . . . 0.0 112.414 -179.086 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 5' ' ' GLN . . . . . 0.588 ' HG3' ' SG ' ' C' ' 11' ' ' CYS . 16.4 pt20 -112.64 -30.19 7.19 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 113.464 0.912 . . . . 0.0 113.464 -178.09 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 6' ' ' CYS . . . . . 0.405 ' HB3' ' H6 ' ' C' ' 22' ' ' IPH . 61.0 m -90.86 -35.85 14.54 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -178.018 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 7' ' ' CYS . . . . . 0.713 ' HB2' HD11 ' D' ' 11' ' ' LEU . 43.9 t -83.18 -7.2 59.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.951 0.405 . . . . 0.0 111.176 -179.241 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 1.2 p -87.27 -57.16 3.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 122.325 -0.234 . . . . 0.0 111.522 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 9' ' ' SER . . . . . 0.44 ' O ' ' HB ' ' C' ' 10' ' ' ILE . 25.5 p -144.13 24.7 1.61 Allowed 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 -179.401 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . 0.514 HD13 ' HB3' ' L' ' 3' ' ' ASN . 2.0 mp 71.53 138.03 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 CA-C-O 121.451 0.643 . . . . 0.0 111.422 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 11' ' ' CYS . . . . . 0.588 ' SG ' ' HG3' ' C' ' 5' ' ' GLN . 96.0 m -93.54 158.55 15.65 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.349 179.322 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 15.8 m -74.9 163.29 27.81 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 178.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 23.0 tp -51.43 -50.42 59.76 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.25 0.548 . . . . 0.0 111.514 -179.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -64.06 -28.48 69.81 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.318 -0.856 . . . . 0.0 112.223 -178.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . 0.418 ' HB2' ' HB3' ' C' ' 11' ' ' CYS . 75.5 mt-30 -72.58 -31.86 65.55 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.724 0.297 . . . . 0.0 111.199 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 91.5 mt -70.0 -30.17 67.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.836 0.351 . . . . 0.0 110.319 179.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -65.87 -16.97 64.32 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.21 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -69.47 -18.03 63.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.504 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -102.33 6.12 40.24 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.483 -178.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 2.9 m -73.1 152.46 41.2 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 -179.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 . . . . . 0 C--O 1.251 1.169 0 CA-C-N 115.135 -0.938 . . . . 0.0 109.295 178.659 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 9.4 t80 . . . . . 0 N--CA 1.48 1.042 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 2' ' ' VAL . . . . . . . . . . . . . 33.4 m 42.93 -146.42 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 C-N-CA 124.423 1.089 . . . . 0.0 113.203 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 3' ' ' ASN . . . . . 0.524 ' HB3' HD13 ' G' ' 10' ' ' ILE . 24.7 t-20 -156.99 177.32 11.65 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 110.094 -0.335 . . . . 0.0 110.094 -177.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 4' ' ' GLN . . . . . 0.806 ' HA ' ' HB3' ' D' ' 7' ' ' CYS . 0.1 OUTLIER -52.52 -27.56 16.97 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 123.25 0.62 . . . . 0.0 110.493 178.628 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 5' ' ' HIS . . . . . . . . . . . . . 60.0 t60 -59.85 -15.24 19.59 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.292 179.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 6' ' ' LEU . . . . . 0.798 HD21 ' H4 ' ' G' ' 22' ' ' IPH . 14.8 mt -123.97 -14.54 7.1 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.327 0.584 . . . . 0.0 110.103 178.133 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 7' ' ' CYS . . . . . 0.806 ' HB3' ' HA ' ' D' ' 4' ' ' GLN . 1.7 t -84.62 -42.33 15.49 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.59 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 8' ' ' GLY . . . . . 0.464 ' HA3' ' OH ' ' D' ' 26' ' ' TYR . . . -64.13 -25.03 69.26 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 121.312 -0.47 . . . . 0.0 114.271 -178.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 9' ' ' SER . . . . . 0.701 ' HB2' ' HG2' ' B' ' 13' ' ' GLU . 77.4 p -64.85 -18.12 64.87 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.953 0.406 . . . . 0.0 111.451 -178.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 10' ' ' HIS . . . . . 0.719 ' HA ' ' HG3' ' D' ' 13' ' ' GLU . 92.4 m-70 -104.99 -19.75 13.74 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.359 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 11' ' ' LEU . . . . . 0.749 ' HA ' ' H5 ' ' C' ' 22' ' ' IPH . 58.8 mt -68.86 -38.81 80.01 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 177.757 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . 0.64 ' HA ' ' HB2' ' D' ' 15' ' ' LEU . 15.4 m -69.12 -27.97 37.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 114.728 -1.124 . . . . 0.0 112.218 -179.698 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 13' ' ' GLU . . . . . 0.719 ' HG3' ' HA ' ' D' ' 10' ' ' HIS . 23.8 mt-10 -59.07 -49.28 78.47 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 121.359 0.599 . . . . 0.0 109.475 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.34 -30.2 63.18 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.377 -0.828 . . . . 0.0 110.709 179.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 15' ' ' LEU . . . . . 0.64 ' HB2' ' HA ' ' D' ' 12' ' ' VAL . 4.6 mt -55.24 -62.1 1.89 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.996 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 16' ' ' TYR . . . . . 0.913 ' HB2' ' HG3' ' B' ' 28' ' ' PRO . 3.3 p90 -71.22 -20.48 62.25 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 120.321 -0.552 . . . . 0.0 111.277 -178.62 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . 0.501 HD11 ' H3 ' ' I' ' 22' ' ' IPH . 9.4 tt -66.71 -44.94 80.32 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 178.76 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 69.8 t -74.3 -40.76 50.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.109 178.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 19' ' ' CYS . . . . . . . . . . . . . 2.0 t -64.41 -32.2 73.72 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.19 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.16 -152.93 22.52 Favored Glycine 0 N--CA 1.444 -0.821 0 C-N-CA 120.527 -0.844 . . . . 0.0 112.42 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -83.15 58.92 4.68 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.173 0.511 . . . . 0.0 110.972 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 22' ' ' ARG . . . . . . . . . . . . . 69.6 mtt180 -120.23 -103.1 0.41 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.81 0.814 . . . . 0.0 110.461 179.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 23' ' ' GLY . . . . . 0.693 ' HA2' ' HD2' ' B' ' 28' ' ' PRO . . . 168.48 171.42 34.3 Favored Glycine 0 N--CA 1.437 -1.261 0 CA-C-N 114.281 -1.327 . . . . 0.0 109.866 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 24' ' ' PHE . . . . . 0.772 ' CE1' ' HB3' ' D' ' 16' ' ' TYR . 10.9 p90 -159.8 160.25 33.62 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.473 0.654 . . . . 0.0 111.536 -179.708 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 25' ' ' PHE . . . . . 0.534 ' HD1' ' HD1' ' B' ' 25' ' ' PHE . 15.2 m-85 -103.76 104.01 13.97 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.933 -1.03 . . . . 0.0 108.985 179.534 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 26' ' ' TYR . . . . . 0.464 ' OH ' ' HA3' ' D' ' 8' ' ' GLY . 76.7 t80 -101.06 131.98 46.71 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.458 -0.497 . . . . 0.0 110.723 -179.459 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 27' ' ' THR . . . . . 0.4 ' C ' ' H ' ' D' ' 29' ' ' LYS . 4.9 p -123.54 95.99 44.24 Favored Pre-proline 0 C--N 1.32 -0.711 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.289 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 28' ' ' PRO . . . . . 0.918 ' HG3' ' HB2' ' B' ' 16' ' ' TYR . 98.1 Cg_endo -77.14 35.58 0.5 Allowed 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 123.083 2.522 . . . . 0.0 111.627 179.247 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 29' ' ' LYS . . . . . 0.4 ' H ' ' C ' ' D' ' 27' ' ' THR . 87.5 tttt -106.41 132.63 52.22 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.342 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 30' ' ' THR . . . . . 0.409 ' OG1' HG21 ' C' ' 3' ' ' VAL . 26.8 m . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.553 -0.737 . . . . 0.0 109.788 -179.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 1' ' ' GLY . . . . . 0.514 ' O ' ' HG2' ' E' ' 5' ' ' GLN . . . . . . . . 0 N--CA 1.487 2.096 0 N-CA-C 111.869 -0.493 . . . . 0.0 111.869 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 2' ' ' ILE . . . . . 0.466 ' CD1' HD11 ' F' ' 15' ' ' LEU . 10.6 tt -67.27 -41.89 87.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.771 0.32 . . . . 0.0 111.147 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 33.9 m -70.84 -17.2 20.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.221 0.534 . . . . 0.0 110.957 179.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 4' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -82.72 -31.34 28.54 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.208 -0.905 . . . . 0.0 112.356 -179.184 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 5' ' ' GLN . . . . . 0.592 ' HG3' ' SG ' ' E' ' 11' ' ' CYS . 16.2 pt20 -112.43 -31.43 6.81 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 113.234 0.828 . . . . 0.0 113.234 -177.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 6' ' ' CYS . . . . . 0.403 ' HB3' ' H6 ' ' E' ' 22' ' ' IPH . 60.6 m -89.63 -35.99 15.53 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -178.075 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 7' ' ' CYS . . . . . 0.72 ' HB2' HD11 ' F' ' 11' ' ' LEU . 43.2 t -83.26 -7.08 59.65 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.046 0.45 . . . . 0.0 111.409 -179.242 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 1.2 p -87.28 -56.96 3.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 122.206 -0.309 . . . . 0.0 111.438 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 9' ' ' SER . . . . . 0.428 ' O ' ' HB ' ' E' ' 10' ' ' ILE . 12.2 p -144.76 25.56 1.45 Allowed 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.748 0.277 . . . . 0.0 111.748 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 10' ' ' ILE . . . . . 0.508 HD13 ' HB3' ' J' ' 3' ' ' ASN . 2.0 mp 71.04 137.53 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 CA-C-O 121.494 0.664 . . . . 0.0 111.834 179.672 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 11' ' ' CYS . . . . . 0.592 ' SG ' ' HG3' ' E' ' 5' ' ' GLN . 91.8 m -93.27 155.94 17.11 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.764 179.216 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 12' ' ' SER . . . . . . . . . . . . . 9.5 m -72.06 162.87 28.84 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 178.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 23.4 tp -51.4 -50.39 59.71 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.214 0.53 . . . . 0.0 111.605 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -64.15 -28.12 69.55 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.409 -0.814 . . . . 0.0 112.258 -178.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . 0.407 ' HB2' ' HB3' ' E' ' 11' ' ' CYS . 76.5 mt-30 -72.63 -32.45 65.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.767 0.318 . . . . 0.0 110.968 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 16' ' ' LEU . . . . . . . . . . . . . 91.9 mt -69.41 -30.01 67.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.898 0.38 . . . . 0.0 110.501 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 17' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -66.53 -16.37 64.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.921 -0.582 . . . . 0.0 111.155 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 18' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -69.6 -17.74 63.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.462 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 19' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -102.76 6.39 39.34 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.529 -178.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 20' ' ' CYS . . . . . . . . . . . . . 2.3 m -72.31 154.05 41.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.296 0.569 . . . . 0.0 112.446 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 21' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 . . . . . 0 C--O 1.252 1.201 0 CA-C-N 115.133 -0.939 . . . . 0.0 109.626 179.184 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' F' F ' 1' ' ' PHE . . . . . . . . . . . . . 9.3 t80 . . . . . 0 N--CA 1.48 1.037 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' F' F ' 2' ' ' VAL . . . . . . . . . . . . . 33.9 m 42.05 -146.18 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 124.313 1.045 . . . . 0.0 113.261 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 3' ' ' ASN . . . . . 0.48 ' HB3' HD13 ' A' ' 10' ' ' ILE . 24.3 t-20 -157.36 176.68 12.36 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.521 -0.308 . . . . 0.0 110.208 -178.069 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 4' ' ' GLN . . . . . 0.802 ' HA ' ' HB3' ' F' ' 7' ' ' CYS . 0.1 OUTLIER -51.93 -27.5 13.28 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 123.516 0.726 . . . . 0.0 110.519 178.759 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' F' F ' 5' ' ' HIS . . . . . 0.432 ' CD2' HG21 ' A' ' 10' ' ' ILE . 62.1 t60 -60.46 -14.51 19.71 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.144 179.279 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 6' ' ' LEU . . . . . 0.785 HD21 ' H4 ' ' A' ' 22' ' ' IPH . 14.7 mt -124.34 -15.03 6.81 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.35 0.595 . . . . 0.0 110.047 178.175 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 7' ' ' CYS . . . . . 0.802 ' HB3' ' HA ' ' F' ' 4' ' ' GLN . 1.8 t -84.22 -43.17 15.17 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.346 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 8' ' ' GLY . . . . . 0.458 ' HA3' ' OH ' ' F' ' 26' ' ' TYR . . . -63.22 -25.38 68.24 Favored Glycine 0 N--CA 1.449 -0.47 0 N-CA-C 114.266 0.466 . . . . 0.0 114.266 -179.048 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 9' ' ' SER . . . . . 0.698 ' HB2' ' HG2' ' H' ' 13' ' ' GLU . 79.2 p -64.82 -17.73 64.5 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.049 0.452 . . . . 0.0 111.426 -179.047 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 10' ' ' HIS . . . . . 0.716 ' HA ' ' HG3' ' F' ' 13' ' ' GLU . 92.9 m-70 -105.54 -19.27 13.83 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.397 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 11' ' ' LEU . . . . . 0.736 ' HA ' ' H5 ' ' E' ' 22' ' ' IPH . 57.2 mt -69.15 -38.89 79.0 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 177.49 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 12' ' ' VAL . . . . . 0.659 ' HA ' ' HB2' ' F' ' 15' ' ' LEU . 15.3 m -68.95 -27.59 36.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 114.695 -1.139 . . . . 0.0 112.304 -179.685 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 13' ' ' GLU . . . . . 0.716 ' HG3' ' HA ' ' F' ' 10' ' ' HIS . 23.6 mt-10 -59.25 -49.56 77.37 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 121.342 0.591 . . . . 0.0 109.583 179.669 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.21 -30.46 63.52 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.71 179.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 15' ' ' LEU . . . . . 0.659 ' HB2' ' HA ' ' F' ' 12' ' ' VAL . 4.5 mt -55.03 -61.59 2.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.903 -0.589 . . . . 0.0 112.189 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 16' ' ' TYR . . . . . 0.916 ' HB2' ' HG3' ' H' ' 28' ' ' PRO . 3.6 p90 -71.98 -20.21 61.76 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 120.169 -0.612 . . . . 0.0 111.182 -178.676 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 17' ' ' LEU . . . . . 0.495 HD11 ' H3 ' ' K' ' 22' ' ' IPH . 9.3 tt -66.52 -45.35 79.8 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 70.7 t -73.75 -41.24 54.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.317 178.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 19' ' ' CYS . . . . . . . . . . . . . 2.0 t -64.03 -32.51 74.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.047 -179.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.53 -154.02 23.78 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.159 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 21' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -81.53 60.59 4.6 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.353 0.597 . . . . 0.0 110.927 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 22' ' ' ARG . . . . . . . . . . . . . 63.2 mtt180 -121.92 -103.56 0.39 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.788 0.804 . . . . 0.0 110.225 179.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 23' ' ' GLY . . . . . 0.701 ' HA2' ' HD2' ' H' ' 28' ' ' PRO . . . 168.46 171.1 33.95 Favored Glycine 0 N--CA 1.44 -1.094 0 N-CA-C 109.803 -1.319 . . . . 0.0 109.803 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 24' ' ' PHE . . . . . 0.785 ' CE1' ' HB3' ' F' ' 16' ' ' TYR . 11.3 p90 -159.45 160.3 34.61 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.375 0.607 . . . . 0.0 111.363 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 25' ' ' PHE . . . . . 0.52 ' HD1' ' HD1' ' H' ' 25' ' ' PHE . 15.5 m-85 -103.77 104.85 14.92 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.916 -1.038 . . . . 0.0 108.664 179.379 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 26' ' ' TYR . . . . . 0.458 ' OH ' ' HA3' ' F' ' 8' ' ' GLY . 77.7 t80 -101.98 131.97 48.08 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.353 -0.539 . . . . 0.0 110.66 -179.587 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 27' ' ' THR . . . . . . . . . . . . . 5.9 p -123.38 97.38 42.68 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.063 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 28' ' ' PRO . . . . . 0.897 ' HG3' ' HB2' ' H' ' 16' ' ' TYR . 98.6 Cg_endo -77.89 34.7 0.49 Allowed 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 123.042 2.495 . . . . 0.0 111.587 179.386 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 29' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -104.76 135.65 45.74 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.111 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 30' ' ' THR . . . . . . . . . . . . . 24.6 m . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.744 -0.646 . . . . 0.0 109.68 -179.622 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' G' G ' 1' ' ' GLY . . . . . 0.5 ' O ' ' HG2' ' G' ' 5' ' ' GLN . . . . . . . . 0 N--CA 1.491 2.344 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 2' ' ' ILE . . . . . 0.441 ' CD1' HD11 ' H' ' 15' ' ' LEU . 9.8 tt -67.64 -41.26 85.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.892 0.377 . . . . 0.0 111.035 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 3' ' ' VAL . . . . . 0.432 HG21 ' OG1' ' H' ' 30' ' ' THR . 33.8 m -70.97 -16.47 19.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.257 0.551 . . . . 0.0 111.082 179.596 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 4' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -84.61 -29.99 25.32 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.234 -0.894 . . . . 0.0 112.079 -178.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 5' ' ' GLN . . . . . 0.583 ' HG3' ' SG ' ' G' ' 11' ' ' CYS . 16.4 pt20 -113.48 -30.56 6.82 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 -178.093 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 6' ' ' CYS . . . . . 0.415 ' HB3' ' H6 ' ' G' ' 22' ' ' IPH . 61.1 m -90.95 -35.4 14.72 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -178.06 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 7' ' ' CYS . . . . . 0.735 ' HB2' HD11 ' H' ' 11' ' ' LEU . 46.0 t -83.96 -6.09 59.35 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.039 0.447 . . . . 0.0 111.322 -179.173 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -88.19 -56.54 3.28 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.376 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 9' ' ' SER . . . . . 0.431 ' O ' ' HB ' ' G' ' 10' ' ' ILE . 29.1 p -145.33 25.04 1.39 Allowed 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 121.038 -0.265 . . . . 0.0 111.597 -179.592 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 10' ' ' ILE . . . . . 0.524 HD13 ' HB3' ' D' ' 3' ' ' ASN . 2.1 mp 71.72 139.22 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 CA-C-O 121.525 0.679 . . . . 0.0 111.647 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 11' ' ' CYS . . . . . 0.583 ' SG ' ' HG3' ' G' ' 5' ' ' GLN . 94.0 m -94.87 156.5 16.32 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.459 179.42 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 12' ' ' SER . . . . . . . . . . . . . 5.9 m -72.62 163.45 28.04 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 178.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 13' ' ' LEU . . . . . . . . . . . . . 23.2 tp -51.59 -50.97 59.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.248 0.547 . . . . 0.0 111.638 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -62.99 -30.13 71.36 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.96 -178.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 15' ' ' GLN . . . . . 0.402 ' HB2' ' HB3' ' G' ' 11' ' ' CYS . 75.6 mt-30 -70.77 -32.57 69.74 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.736 0.303 . . . . 0.0 111.266 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 16' ' ' LEU . . . . . . . . . . . . . 93.5 mt -69.76 -28.53 65.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.986 0.422 . . . . 0.0 110.629 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 17' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -68.08 -16.0 63.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.225 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 18' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -69.42 -20.06 63.79 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.322 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 19' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -100.26 6.1 44.65 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.795 -178.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 20' ' ' CYS . . . . . . . . . . . . . 2.9 m -73.0 153.77 40.78 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -179.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 21' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 . . . . . 0 C--O 1.251 1.146 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.413 178.911 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' H' H ' 1' ' ' PHE . . . . . . . . . . . . . 9.7 t80 . . . . . 0 N--CA 1.482 1.126 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' H' H ' 2' ' ' VAL . . . . . . . . . . . . . 33.8 m 42.66 -146.17 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 C-N-CA 124.181 0.992 . . . . 0.0 113.207 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 3' ' ' ASN . . . . . 0.491 ' HB3' HD13 ' K' ' 10' ' ' ILE . 24.4 t-20 -157.4 176.84 12.15 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 -177.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 4' ' ' GLN . . . . . 0.787 ' HA ' ' HB3' ' H' ' 7' ' ' CYS . 0.1 OUTLIER -51.85 -28.34 15.58 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 123.413 0.685 . . . . 0.0 110.394 178.623 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' H' H ' 5' ' ' HIS . . . . . 0.424 ' CD2' HG21 ' K' ' 10' ' ' ILE . 61.1 t60 -59.59 -15.12 16.41 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.269 179.361 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 6' ' ' LEU . . . . . 0.773 HD21 ' H4 ' ' K' ' 22' ' ' IPH . 14.7 mt -124.08 -14.09 7.15 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.335 0.588 . . . . 0.0 110.02 178.151 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 7' ' ' CYS . . . . . 0.787 ' HB3' ' HA ' ' H' ' 4' ' ' GLN . 1.7 t -85.05 -42.51 14.78 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.368 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 8' ' ' GLY . . . . . 0.468 ' HA3' ' OH ' ' H' ' 26' ' ' TYR . . . -64.17 -25.27 69.52 Favored Glycine 0 N--CA 1.452 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 113.961 -178.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 9' ' ' SER . . . . . 0.678 ' HB2' ' HG2' ' F' ' 13' ' ' GLU . 77.3 p -64.66 -17.42 64.04 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.0 0.429 . . . . 0.0 111.419 -179.025 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 10' ' ' HIS . . . . . 0.709 ' HA ' ' HG3' ' H' ' 13' ' ' GLU . 92.9 m-70 -105.71 -19.89 13.62 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.447 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 11' ' ' LEU . . . . . 0.735 HD11 ' HB2' ' G' ' 7' ' ' CYS . 55.6 mt -68.57 -38.78 81.0 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 177.599 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 12' ' ' VAL . . . . . 0.636 ' HA ' ' HB2' ' H' ' 15' ' ' LEU . 15.5 m -68.99 -27.75 36.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 114.778 -1.101 . . . . 0.0 112.229 -179.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 13' ' ' GLU . . . . . 0.709 ' HG3' ' HA ' ' H' ' 10' ' ' HIS . 24.1 mt-10 -59.1 -49.54 77.48 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-O 121.387 0.613 . . . . 0.0 109.465 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.39 -29.9 62.92 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.788 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 15' ' ' LEU . . . . . 0.636 ' HB2' ' HA ' ' H' ' 12' ' ' VAL . 4.5 mt -55.34 -61.9 2.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.89 -0.595 . . . . 0.0 112.128 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 16' ' ' TYR . . . . . 0.897 ' HB2' ' HG3' ' F' ' 28' ' ' PRO . 3.6 p90 -71.62 -20.07 62.03 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.128 -0.629 . . . . 0.0 111.064 -178.62 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 17' ' ' LEU . . . . . 0.482 HD11 ' H3 ' ' A' ' 22' ' ' IPH . 9.4 tt -66.86 -44.73 80.23 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 178.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 69.7 t -74.86 -39.26 45.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.319 178.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 19' ' ' CYS . . . . . . . . . . . . . 2.3 t -66.05 -31.45 72.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.162 -179.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.52 -152.49 22.61 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.577 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 21' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -83.34 58.76 4.67 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.352 0.596 . . . . 0.0 110.848 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 22' ' ' ARG . . . . . . . . . . . . . 69.9 mtt180 -119.82 -104.03 0.4 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.565 0.698 . . . . 0.0 110.381 179.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 23' ' ' GLY . . . . . 0.716 ' HA2' ' HD2' ' F' ' 28' ' ' PRO . . . 169.59 171.63 35.38 Favored Glycine 0 N--CA 1.437 -1.236 0 N-CA-C 109.652 -1.379 . . . . 0.0 109.652 -179.645 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 24' ' ' PHE . . . . . 0.777 ' CE1' ' HB3' ' H' ' 16' ' ' TYR . 11.0 p90 -160.07 159.99 32.59 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 117.506 0.653 . . . . 0.0 111.282 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 25' ' ' PHE . . . . . 0.52 ' HD1' ' HD1' ' F' ' 25' ' ' PHE . 15.1 m-85 -103.72 103.45 13.35 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.011 179.508 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 26' ' ' TYR . . . . . 0.468 ' OH ' ' HA3' ' H' ' 8' ' ' GLY . 77.0 t80 -100.09 133.29 44.69 Favored 'General case' 0 C--N 1.318 -0.793 0 C-N-CA 120.354 -0.539 . . . . 0.0 110.782 -179.627 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 27' ' ' THR . . . . . . . . . . . . . 4.5 p -124.61 96.56 40.76 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.066 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 28' ' ' PRO . . . . . 0.916 ' HG3' ' HB2' ' F' ' 16' ' ' TYR . 99.0 Cg_endo -77.89 35.61 0.53 Allowed 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.983 2.455 . . . . 0.0 111.717 179.505 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 29' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -106.12 133.55 50.65 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.332 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 30' ' ' THR . . . . . 0.432 ' OG1' HG21 ' G' ' 3' ' ' VAL . 26.0 m . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.92 -0.562 . . . . 0.0 109.811 -179.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 1' ' ' GLY . . . . . 0.476 ' O ' ' HG2' ' I' ' 5' ' ' GLN . . . . . . . . 0 N--CA 1.492 2.375 0 N-CA-C 111.837 -0.505 . . . . 0.0 111.837 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 2' ' ' ILE . . . . . 0.453 ' CD1' HD11 ' J' ' 15' ' ' LEU . 10.5 tt -64.89 -42.12 93.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 117.074 0.437 . . . . 0.0 111.425 -179.58 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 3' ' ' VAL . . . . . 0.446 HG21 ' OG1' ' J' ' 30' ' ' THR . 33.3 m -70.28 -17.94 21.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 121.364 0.602 . . . . 0.0 111.076 179.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 4' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -82.74 -30.04 29.31 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.216 -0.902 . . . . 0.0 112.227 -179.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 5' ' ' GLN . . . . . 0.57 ' HG3' ' SG ' ' I' ' 11' ' ' CYS . 16.4 pt20 -113.76 -31.15 6.54 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 -178.296 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 6' ' ' CYS . . . . . 0.406 ' HB3' ' H6 ' ' I' ' 22' ' ' IPH . 60.6 m -89.92 -36.08 15.22 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -178.069 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 7' ' ' CYS . . . . . 0.738 ' HB2' HD11 ' J' ' 11' ' ' LEU . 45.3 t -83.6 -5.78 59.27 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.96 0.41 . . . . 0.0 111.331 -179.06 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -88.32 -57.45 2.92 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.235 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 9' ' ' SER . . . . . 0.423 ' O ' ' HB ' ' I' ' 10' ' ' ILE . 14.5 p -144.76 26.07 1.42 Allowed 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.681 0.252 . . . . 0.0 111.681 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 10' ' ' ILE . . . . . 0.519 HD13 ' HB3' ' B' ' 3' ' ' ASN . 2.1 mp 71.13 137.46 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 CA-C-O 121.586 0.707 . . . . 0.0 111.886 179.58 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 11' ' ' CYS . . . . . 0.57 ' SG ' ' HG3' ' I' ' 5' ' ' GLN . 92.1 m -93.39 155.78 17.17 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.617 179.302 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 12' ' ' SER . . . . . . . . . . . . . 11.0 m -72.38 163.05 28.63 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 178.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 13' ' ' LEU . . . . . . . . . . . . . 24.0 tp -50.86 -51.0 55.66 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.4 0.619 . . . . 0.0 111.749 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -63.46 -28.21 69.81 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.259 -0.882 . . . . 0.0 112.41 -178.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -73.01 -32.14 64.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.746 0.308 . . . . 0.0 111.012 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 16' ' ' LEU . . . . . . . . . . . . . 93.3 mt -69.7 -29.53 66.96 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.951 0.405 . . . . 0.0 110.469 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 17' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -67.03 -16.16 64.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.318 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 18' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -68.97 -20.0 64.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.989 0.423 . . . . 0.0 111.174 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 19' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -100.4 6.2 44.42 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.709 -178.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 20' ' ' CYS . . . . . . . . . . . . . 2.2 m -72.67 153.0 41.41 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.347 0.594 . . . . 0.0 112.477 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 21' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 . . . . . 0 C--O 1.251 1.181 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.037 178.742 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' J' J ' 1' ' ' PHE . . . . . . . . . . . . . 10.2 t80 . . . . . 0 N--CA 1.483 1.184 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' J' J ' 2' ' ' VAL . . . . . . . . . . . . . 34.0 m 42.4 -145.91 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 C-N-CA 124.416 1.087 . . . . 0.0 113.219 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 3' ' ' ASN . . . . . 0.508 ' HB3' HD13 ' E' ' 10' ' ' ILE . 24.5 t-20 -157.93 176.16 12.9 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 -177.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 4' ' ' GLN . . . . . 0.813 ' HA ' ' HB3' ' J' ' 7' ' ' CYS . 0.1 OUTLIER -51.23 -28.17 10.86 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 123.423 0.689 . . . . 0.0 110.492 178.691 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' J' J ' 5' ' ' HIS . . . . . 0.426 ' CD2' HG21 ' E' ' 10' ' ' ILE . 59.5 t60 -59.56 -15.36 17.81 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.352 179.199 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 6' ' ' LEU . . . . . 0.785 HD21 ' H4 ' ' E' ' 22' ' ' IPH . 14.9 mt -124.02 -13.94 7.21 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.39 0.614 . . . . 0.0 110.141 178.055 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 7' ' ' CYS . . . . . 0.813 ' HB3' ' HA ' ' J' ' 4' ' ' GLN . 1.6 t -85.44 -41.93 14.95 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.373 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 8' ' ' GLY . . . . . 0.461 ' HA3' ' OH ' ' J' ' 26' ' ' TYR . . . -64.37 -25.72 70.14 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 121.322 -0.466 . . . . 0.0 114.156 -178.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 9' ' ' SER . . . . . 0.675 ' HB2' ' HG2' ' L' ' 13' ' ' GLU . 78.5 p -64.11 -18.21 64.19 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.869 0.366 . . . . 0.0 111.317 -179.066 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 10' ' ' HIS . . . . . 0.705 ' HA ' ' HG3' ' J' ' 13' ' ' GLU . 92.9 m-70 -105.25 -19.06 13.92 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.967 0.413 . . . . 0.0 110.431 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 11' ' ' LEU . . . . . 0.738 HD11 ' HB2' ' I' ' 7' ' ' CYS . 57.8 mt -69.22 -38.87 78.78 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 177.596 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 12' ' ' VAL . . . . . 0.651 ' HA ' ' HB2' ' J' ' 15' ' ' LEU . 15.5 m -69.13 -27.73 36.27 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 CA-C-N 114.613 -1.176 . . . . 0.0 112.303 -179.608 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 13' ' ' GLU . . . . . 0.705 ' HG3' ' HA ' ' J' ' 10' ' ' HIS . 24.3 mt-10 -59.17 -49.38 78.07 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.296 0.57 . . . . 0.0 109.554 179.711 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.26 -30.41 63.42 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.606 179.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 15' ' ' LEU . . . . . 0.651 ' HB2' ' HA ' ' J' ' 12' ' ' VAL . 4.5 mt -54.91 -61.49 2.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.891 -0.595 . . . . 0.0 112.109 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 16' ' ' TYR . . . . . 0.925 ' HB2' ' HG3' ' L' ' 28' ' ' PRO . 3.8 p90 -72.26 -20.33 61.55 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.17 -0.612 . . . . 0.0 111.092 -178.51 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 17' ' ' LEU . . . . . 0.491 HD11 ' H3 ' ' C' ' 22' ' ' IPH . 9.4 tt -66.4 -44.95 81.61 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 178.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 70.1 t -74.45 -41.26 49.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.15 179.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 19' ' ' CYS . . . . . . . . . . . . . 2.0 t -63.57 -33.31 75.32 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.157 -179.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.47 -154.68 23.57 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.212 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 21' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -81.04 60.99 4.44 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.087 0.47 . . . . 0.0 110.865 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 22' ' ' ARG . . . . . . . . . . . . . 68.3 mtt180 -122.02 -102.53 0.4 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.809 0.814 . . . . 0.0 110.343 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 23' ' ' GLY . . . . . 0.7 ' HA2' ' HD2' ' L' ' 28' ' ' PRO . . . 167.4 170.38 32.15 Favored Glycine 0 N--CA 1.44 -1.099 0 N-CA-C 109.698 -1.361 . . . . 0.0 109.698 -179.494 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 24' ' ' PHE . . . . . 0.783 ' CE1' ' HB3' ' J' ' 16' ' ' TYR . 11.0 p90 -159.36 160.37 34.93 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 117.394 0.597 . . . . 0.0 111.437 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 25' ' ' PHE . . . . . 0.542 ' HD1' ' HD1' ' L' ' 25' ' ' PHE . 14.6 m-85 -103.44 104.51 14.6 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.03 -0.986 . . . . 0.0 108.893 179.585 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 26' ' ' TYR . . . . . 0.461 ' OH ' ' HA3' ' J' ' 8' ' ' GLY . 76.8 t80 -101.39 133.08 46.55 Favored 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 120.377 -0.529 . . . . 0.0 110.562 -179.588 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 27' ' ' THR . . . . . 0.403 ' C ' ' H ' ' J' ' 29' ' ' LYS . 4.8 p -124.52 96.23 41.59 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.134 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 28' ' ' PRO . . . . . 0.933 ' HG3' ' HB2' ' L' ' 16' ' ' TYR . 88.5 Cg_endo -77.2 34.96 0.47 Allowed 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 123.062 2.508 . . . . 0.0 111.708 179.305 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 29' ' ' LYS . . . . . 0.403 ' H ' ' C ' ' J' ' 27' ' ' THR . 86.7 tttt -105.54 134.0 49.38 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.419 -0.809 . . . . 0.0 109.509 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 30' ' ' THR . . . . . 0.446 ' OG1' HG21 ' I' ' 3' ' ' VAL . 25.8 m . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.725 -0.655 . . . . 0.0 109.865 -179.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 1' ' ' GLY . . . . . 0.483 ' O ' ' HG2' ' K' ' 5' ' ' GLN . . . . . . . . 0 N--CA 1.486 1.971 0 N-CA-C 112.209 -0.356 . . . . 0.0 112.209 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 2' ' ' ILE . . . . . 0.45 ' CD1' HD11 ' L' ' 15' ' ' LEU . 10.3 tt -64.74 -42.29 94.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.842 0.354 . . . . 0.0 111.484 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' K' K ' 3' ' ' VAL . . . . . . . . . . . . . 33.5 m -69.68 -18.92 22.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 121.323 0.582 . . . . 0.0 111.193 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 4' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -81.68 -31.32 32.29 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.203 -0.908 . . . . 0.0 112.303 -179.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 5' ' ' GLN . . . . . 0.593 ' HG3' ' SG ' ' K' ' 11' ' ' CYS . 16.4 pt20 -112.35 -30.82 7.03 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 -178.02 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' K' K ' 6' ' ' CYS . . . . . 0.403 ' HB3' ' H6 ' ' K' ' 22' ' ' IPH . 60.3 m -90.52 -35.81 14.86 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -178.033 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' K' K ' 7' ' ' CYS . . . . . 0.733 ' HB2' HD11 ' L' ' 11' ' ' LEU . 44.8 t -83.41 -6.79 59.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.961 0.41 . . . . 0.0 111.213 -179.232 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' K' K ' 8' ' ' THR . . . . . . . . . . . . . 1.2 p -87.53 -56.06 3.52 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.535 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 9' ' ' SER . . . . . 0.432 ' O ' ' HB ' ' K' ' 10' ' ' ILE . 22.7 p -145.36 24.25 1.43 Allowed 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -179.077 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' K' K ' 10' ' ' ILE . . . . . 0.491 HD13 ' HB3' ' H' ' 3' ' ' ASN . 2.0 mp 71.6 137.42 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 CA-C-O 121.618 0.723 . . . . 0.0 111.673 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' K' K ' 11' ' ' CYS . . . . . 0.593 ' SG ' ' HG3' ' K' ' 5' ' ' GLN . 92.5 m -93.34 156.26 16.9 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.617 179.211 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' K' K ' 12' ' ' SER . . . . . . . . . . . . . 8.3 m -72.32 164.45 26.28 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 178.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 13' ' ' LEU . . . . . . . . . . . . . 22.6 tp -52.77 -50.88 62.65 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.262 0.554 . . . . 0.0 111.583 -179.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -63.2 -29.2 70.59 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.291 -0.868 . . . . 0.0 112.086 -178.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -71.72 -32.04 67.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.712 0.292 . . . . 0.0 111.135 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 16' ' ' LEU . . . . . . . . . . . . . 94.2 mt -70.31 -29.43 66.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.907 0.384 . . . . 0.0 110.41 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 17' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -66.58 -16.98 64.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.216 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 18' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -68.65 -19.16 64.39 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.482 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 19' ' ' TYR . . . . . . . . . . . . . 50.8 m-85 -101.76 6.6 41.81 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.495 -178.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 20' ' ' CYS . . . . . . . . . . . . . 2.1 m -73.3 153.05 40.71 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 21' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 . . . . . 0 C--O 1.252 1.189 0 CA-C-N 115.1 -0.955 . . . . 0.0 109.184 178.83 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' L' L ' 1' ' ' PHE . . . . . . . . . . . . . 9.3 t80 . . . . . 0 N--CA 1.482 1.16 0 N-CA-C 110.132 -0.322 . . . . 0.0 110.132 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' L' L ' 2' ' ' VAL . . . . . . . . . . . . . 34.0 m 41.59 -146.35 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 C-N-CA 124.284 1.034 . . . . 0.0 113.274 -179.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 3' ' ' ASN . . . . . 0.514 ' HB3' HD13 ' C' ' 10' ' ' ILE . 24.4 t-20 -157.32 175.64 13.74 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 -178.043 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' L' L ' 4' ' ' GLN . . . . . 0.793 ' HA ' ' HB3' ' L' ' 7' ' ' CYS . 0.1 OUTLIER -50.38 -28.44 8.08 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 123.603 0.761 . . . . 0.0 110.609 178.713 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' L' L ' 5' ' ' HIS . . . . . . . . . . . . . 57.9 t60 -59.58 -14.8 14.73 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.392 179.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 6' ' ' LEU . . . . . 0.785 HD21 ' H4 ' ' C' ' 22' ' ' IPH . 14.6 mt -124.6 -14.12 6.88 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.403 0.62 . . . . 0.0 109.919 178.263 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' L' L ' 7' ' ' CYS . . . . . 0.793 ' HB3' ' HA ' ' L' ' 4' ' ' GLN . 1.7 t -85.01 -42.65 14.67 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.429 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' L' L ' 8' ' ' GLY . . . . . 0.469 ' HA3' ' OH ' ' L' ' 26' ' ' TYR . . . -63.96 -25.85 69.69 Favored Glycine 0 N--CA 1.452 -0.294 0 CA-C-N 116.033 -0.53 . . . . 0.0 114.131 -178.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' L' L ' 9' ' ' SER . . . . . 0.689 ' HB2' ' HG2' ' J' ' 13' ' ' GLU . 73.8 p -64.11 -17.99 63.98 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.945 0.402 . . . . 0.0 111.45 -179.224 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' L' L ' 10' ' ' HIS . . . . . 0.719 ' HA ' ' HG3' ' L' ' 13' ' ' GLU . 93.1 m-70 -105.19 -19.71 13.73 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.067 0.46 . . . . 0.0 110.38 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' L' L ' 11' ' ' LEU . . . . . 0.754 ' HA ' ' H5 ' ' K' ' 22' ' ' IPH . 58.0 mt -68.6 -39.22 81.0 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 177.517 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' L' L ' 12' ' ' VAL . . . . . 0.631 ' HA ' ' HB2' ' L' ' 15' ' ' LEU . 15.3 m -68.68 -28.04 38.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 114.662 -1.154 . . . . 0.0 112.175 -179.718 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' L' L ' 13' ' ' GLU . . . . . 0.719 ' HG3' ' HA ' ' L' ' 10' ' ' HIS . 24.0 mt-10 -59.01 -49.32 78.34 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.339 0.59 . . . . 0.0 109.517 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' L' L ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.55 -29.86 62.7 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.619 179.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 15' ' ' LEU . . . . . 0.631 ' HB2' ' HA ' ' L' ' 12' ' ' VAL . 4.5 mt -55.42 -61.52 2.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.824 -0.626 . . . . 0.0 112.094 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' L' L ' 16' ' ' TYR . . . . . 0.933 ' HB2' ' HG3' ' J' ' 28' ' ' PRO . 3.8 p90 -72.11 -20.01 61.7 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 120.107 -0.637 . . . . 0.0 111.197 -178.587 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' L' L ' 17' ' ' LEU . . . . . 0.479 HD11 ' H3 ' ' E' ' 22' ' ' IPH . 9.4 tt -66.37 -45.82 78.82 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 178.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 68.9 t -73.72 -41.21 54.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.265 178.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 19' ' ' CYS . . . . . . . . . . . . . 2.3 t -64.23 -31.46 72.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.202 -179.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.05 -153.37 23.58 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.502 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 21' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -82.33 59.32 4.48 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.173 0.511 . . . . 0.0 111.091 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 22' ' ' ARG . . . . . . . . . . . . . 66.2 mtt180 -120.6 -103.66 0.4 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.719 0.771 . . . . 0.0 110.435 179.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 23' ' ' GLY . . . . . 0.721 ' HA2' ' HD2' ' J' ' 28' ' ' PRO . . . 169.08 170.99 34.35 Favored Glycine 0 N--CA 1.44 -1.067 0 N-CA-C 109.682 -1.367 . . . . 0.0 109.682 -179.642 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' L' L ' 24' ' ' PHE . . . . . 0.779 ' CE1' ' HB3' ' L' ' 16' ' ' TYR . 10.5 p90 -159.68 159.74 33.33 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 117.497 0.649 . . . . 0.0 111.361 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' L' L ' 25' ' ' PHE . . . . . 0.542 ' HD1' ' HD1' ' J' ' 25' ' ' PHE . 15.5 m-85 -103.1 104.79 14.99 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.11 -0.95 . . . . 0.0 108.828 179.541 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' L' L ' 26' ' ' TYR . . . . . 0.469 ' OH ' ' HA3' ' L' ' 8' ' ' GLY . 78.1 t80 -102.05 131.08 48.72 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 120.238 -0.585 . . . . 0.0 110.921 -179.362 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' L' L ' 27' ' ' THR . . . . . . . . . . . . . 8.0 p -122.18 96.91 46.01 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.255 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 28' ' ' PRO . . . . . 0.925 ' HG3' ' HB2' ' J' ' 16' ' ' TYR . 98.6 Cg_endo -77.2 33.95 0.45 Allowed 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 123.136 2.557 . . . . 0.0 111.543 179.035 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' L' L ' 29' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -104.5 134.95 46.83 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.27 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 30' ' ' THR . . . . . . . . . . . . . 25.4 m . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.392 -0.813 . . . . 0.0 109.764 -179.6 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' IPH . . . . . 0.785 ' H4 ' HD21 ' F' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 22' ' ' IPH . . . . . 0.785 ' H4 ' HD21 ' L' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 22' ' ' IPH . . . . . 0.785 ' H4 ' HD21 ' J' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 22' ' ' IPH . . . . . 0.798 ' H4 ' HD21 ' D' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 22' ' ' IPH . . . . . 0.789 ' H4 ' HD21 ' B' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 22' ' ' IPH . . . . . 0.773 ' H4 ' HD21 ' H' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.711 ' O ' ' HB3' ' A' ' 5' ' ' GLN . . . . . . . . 0 N--CA 1.476 1.364 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.402 HD11 ' CD1' ' B' ' 15' ' ' LEU . 13.2 tt -91.67 -10.96 9.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 121.231 0.539 . . . . 0.0 111.406 -178.571 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.407 ' CG2' ' HA ' ' B' ' 28' ' ' PRO . 20.0 t -96.87 -86.06 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -179.211 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -60.21 -41.13 92.36 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 -177.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.711 ' HB3' ' O ' ' A' ' 1' ' ' GLY . 23.1 tt0 -62.11 -30.56 71.1 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.663 0.268 . . . . 0.0 110.89 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 90.6 m -105.64 10.28 32.97 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -179.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 17.4 t -133.4 39.75 3.21 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.573 0.702 . . . . 0.0 110.497 179.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -125.26 -46.12 1.8 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.615 178.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.458 ' O ' ' HB ' ' A' ' 10' ' ' ILE . 15.3 t -150.06 19.87 0.87 Allowed 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 179.462 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.504 ' HA ' ' O1 ' ' A' ' 22' ' ' IPH . 2.8 mp 74.97 125.31 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.225 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.1 m -75.98 162.61 27.93 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.48 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 41.4 p -89.7 162.76 15.41 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.392 178.214 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.948 HD11 HD11 ' G' ' 13' ' ' LEU . 3.0 tt -57.74 -41.79 82.56 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.968 -179.33 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -64.38 -34.96 79.37 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.07 -0.514 . . . . 0.0 112.24 -178.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -69.37 -39.74 77.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.043 0.449 . . . . 0.0 110.876 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.4 ' HB3' HD23 ' B' ' 15' ' ' LEU . 86.5 mt -73.85 -23.42 59.61 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.561 -179.325 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -59.34 -33.05 70.67 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -178.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 21.3 p30 -91.69 12.53 20.9 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.878 0.371 . . . . 0.0 111.898 -179.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 15.8 m-30 -107.8 17.6 22.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.353 0.597 . . . . 0.0 110.434 179.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 59.1 m -93.22 175.21 6.86 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.59 179.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.559 ' HB2' ' HB3' ' B' ' 22' ' ' ARG . 4.2 m120 . . . . . 0 C--O 1.242 0.673 0 CA-C-O 118.525 -0.75 . . . . 0.0 110.03 178.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 36.5 t80 . . . . . 0 N--CA 1.48 1.034 0 CA-C-O 120.729 0.299 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 12.3 p -83.73 62.56 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 CA-C-O 122.518 1.151 . . . . 0.0 111.411 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -152.78 -50.46 0.1 Allowed 'General case' 0 C--O 1.216 -0.703 0 CA-C-N 115.047 -0.979 . . . . 0.0 108.656 178.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -49.96 -52.17 35.73 Favored 'General case' 0 N--CA 1.464 0.273 0 O-C-N 123.811 0.694 . . . . 0.0 111.827 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . 0.431 ' CE1' HD22 ' D' ' 17' ' ' LEU . 67.4 t60 -59.7 -39.17 83.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.786 0.327 . . . . 0.0 111.043 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 mt -78.95 -23.49 44.54 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.588 0.709 . . . . 0.0 110.1 -179.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 41.3 t -75.65 -47.05 28.02 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.454 -1.248 . . . . 0.0 110.511 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . 0.521 ' HA2' ' HG ' ' B' ' 11' ' ' LEU . . . -56.97 -32.62 62.67 Favored Glycine 0 N--CA 1.451 -0.317 0 CA-C-N 115.785 -0.643 . . . . 0.0 113.725 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . 0.497 ' HB2' ' HE1' ' J' ' 10' ' ' HIS . 0.7 OUTLIER -65.89 -1.68 3.18 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.849 0.356 . . . . 0.0 111.772 -179.703 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . 0.496 ' HE1' ' HB2' ' F' ' 9' ' ' SER . 92.0 m-70 -109.92 -35.86 6.04 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 178.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.521 ' HG ' ' HA2' ' B' ' 8' ' ' GLY . 0.7 OUTLIER -66.5 -28.51 68.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.715 179.546 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.68 ' O ' ' HB2' ' B' ' 16' ' ' TYR . 16.3 m -56.24 -48.65 79.16 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.605 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.969 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -56.5 -51.08 69.84 Favored 'General case' 0 N--CA 1.464 0.231 0 O-C-N 123.219 0.324 . . . . 0.0 111.086 179.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.619 ' CB ' ' H5 ' ' A' ' 22' ' ' IPH . . . -52.17 -52.03 54.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.247 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.402 ' CD1' HD11 ' A' ' 2' ' ' ILE . 76.2 mt -69.24 -33.71 73.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.331 0.586 . . . . 0.0 110.722 179.451 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . 0.68 ' HB2' ' O ' ' B' ' 12' ' ' VAL . 0.6 OUTLIER -67.05 -20.56 65.85 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.177 -179.188 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.476 HD13 ' HA ' ' B' ' 17' ' ' LEU . 0.5 OUTLIER -89.05 -47.96 7.75 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 178.559 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 62.0 t -69.12 -46.88 77.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.898 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 1.6 m -101.26 32.49 3.25 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.367 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.92 -38.34 93.97 Favored Glycine 0 N--CA 1.451 -0.362 0 CA-C-N 116.148 -0.478 . . . . 0.0 114.285 -178.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -90.21 6.72 41.54 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 117.242 0.521 . . . . 0.0 112.122 -178.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . 0.559 ' HB3' ' HB2' ' A' ' 21' ' ' ASN . 93.8 mtt180 -125.84 -79.18 0.6 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.745 0.783 . . . . 0.0 110.147 178.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . 0.424 ' HA3' ' HA ' ' D' ' 27' ' ' THR . . . 148.32 175.78 21.22 Favored Glycine 0 N--CA 1.439 -1.16 0 CA-C-N 114.373 -1.285 . . . . 0.0 109.983 -179.115 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 20.3 p90 -140.4 143.05 35.45 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.341 0.591 . . . . 0.0 110.876 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . 0.404 ' H ' ' HD1' ' B' ' 25' ' ' PHE . 2.3 p90 -97.29 106.0 18.25 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 179.201 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.458 ' CE2' ' HG3' ' B' ' 28' ' ' PRO . 38.3 t80 -97.65 96.71 8.46 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.973 -178.419 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . 0.428 ' HA ' ' HA3' ' D' ' 23' ' ' GLY . 38.5 m -115.54 97.57 48.93 Favored Pre-proline 0 C--N 1.318 -0.782 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.23 179.617 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . 0.458 ' HG3' ' CE2' ' B' ' 26' ' ' TYR . 16.7 Cg_exo -67.52 -20.47 47.58 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 123.07 2.513 . . . . 0.0 111.816 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.22 112.67 5.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.396 179.733 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 1.8 p . . . . . 0 C--O 1.247 0.97 0 CA-C-O 119.207 -0.425 . . . . 0.0 110.418 179.725 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 1' ' ' GLY . . . . . 0.698 ' O ' ' HB3' ' C' ' 5' ' ' GLN . . . . . . . . 0 N--CA 1.478 1.486 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 2' ' ' ILE . . . . . 0.415 HD11 ' CD1' ' D' ' 15' ' ' LEU . 13.6 tt -90.85 -10.63 10.0 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-O 121.412 0.625 . . . . 0.0 111.447 -178.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 3' ' ' VAL . . . . . 0.407 ' CG2' ' HA ' ' D' ' 28' ' ' PRO . 19.1 t -96.88 -86.49 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -178.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -60.4 -40.66 91.76 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.678 0.621 . . . . 0.0 112.678 -178.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 5' ' ' GLN . . . . . 0.698 ' HB3' ' O ' ' C' ' 1' ' ' GLY . 21.3 tt0 -62.23 -31.38 71.92 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 121.159 -0.216 . . . . 0.0 110.788 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 91.5 m -104.83 9.67 34.74 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -179.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 7' ' ' CYS . . . . . . . . . . . . . 16.8 t -132.59 40.48 3.27 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.58 0.705 . . . . 0.0 110.469 179.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -125.75 -47.21 1.69 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.281 178.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 9' ' ' SER . . . . . 0.429 ' O ' ' HB ' ' C' ' 10' ' ' ILE . 18.6 t -149.16 21.48 0.96 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.315 179.322 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . 0.496 ' HA ' ' O1 ' ' C' ' 22' ' ' IPH . 2.9 mp 73.64 125.23 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.36 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 2.8 m -76.02 164.17 26.42 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.482 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 35.9 p -91.13 162.66 14.58 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 178.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 13' ' ' LEU . . . . . 0.973 HD11 HD11 ' I' ' 13' ' ' LEU . 3.0 tt -57.78 -41.78 82.78 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.044 0.45 . . . . 0.0 111.024 -179.205 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -63.97 -35.66 81.42 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.931 -0.577 . . . . 0.0 112.257 -179.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -68.88 -39.64 79.67 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.018 0.437 . . . . 0.0 110.884 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 16' ' ' LEU . . . . . 0.407 ' HB3' HD23 ' D' ' 15' ' ' LEU . 84.6 mt -73.95 -22.73 59.54 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.562 -179.501 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -60.55 -31.83 70.92 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -178.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 22.0 p30 -93.08 14.66 17.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.015 0.436 . . . . 0.0 111.467 -179.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 15.8 m-30 -110.33 19.38 18.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.303 0.573 . . . . 0.0 110.369 179.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 58.3 m -94.96 175.67 6.55 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.514 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 21' ' ' ASN . . . . . 0.575 ' HB2' ' HB3' ' D' ' 22' ' ' ARG . 4.3 m120 . . . . . 0 C--O 1.247 0.929 0 CA-C-O 118.29 -0.862 . . . . 0.0 110.185 178.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 35.8 t80 . . . . . 0 N--CA 1.484 1.232 0 CA-C-O 120.735 0.302 . . . . 0.0 111.306 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 2' ' ' VAL . . . . . 0.411 HG13 ' O ' ' D' ' 2' ' ' VAL . 10.7 p -83.16 63.8 0.37 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 CA-C-O 122.492 1.139 . . . . 0.0 111.077 179.494 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 3' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -154.59 -50.66 0.09 Allowed 'General case' 0 C--O 1.214 -0.783 0 CA-C-N 115.097 -0.956 . . . . 0.0 108.494 178.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -49.76 -52.56 30.91 Favored 'General case' 0 N--CA 1.465 0.3 0 O-C-N 123.751 0.657 . . . . 0.0 111.658 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 5' ' ' HIS . . . . . 0.411 ' CE1' HD22 ' B' ' 17' ' ' LEU . 63.8 t60 -58.91 -40.25 83.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.793 0.33 . . . . 0.0 111.077 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 mt -78.56 -21.46 48.68 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.455 0.645 . . . . 0.0 110.231 -179.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 7' ' ' CYS . . . . . . . . . . . . . 39.0 t -78.0 -46.75 20.18 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.72 -1.127 . . . . 0.0 110.291 -179.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 8' ' ' GLY . . . . . 0.511 ' HA2' ' HG ' ' D' ' 11' ' ' LEU . . . -57.3 -32.12 63.38 Favored Glycine 0 N--CA 1.45 -0.421 0 CA-C-N 115.758 -0.655 . . . . 0.0 113.669 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 9' ' ' SER . . . . . 0.53 ' HB2' ' HE1' ' H' ' 10' ' ' HIS . 0.7 OUTLIER -66.63 0.3 2.39 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.009 0.433 . . . . 0.0 111.86 -179.777 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 10' ' ' HIS . . . . . 0.518 ' HE1' ' HB2' ' L' ' 9' ' ' SER . 91.5 m-70 -111.51 -36.34 5.54 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 178.644 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 11' ' ' LEU . . . . . 0.511 ' HG ' ' HA2' ' D' ' 8' ' ' GLY . 0.7 OUTLIER -66.45 -27.92 68.19 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.71 179.465 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . 0.667 ' O ' ' HB2' ' D' ' 16' ' ' TYR . 16.0 m -56.7 -48.58 80.59 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.603 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.918 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -56.36 -51.33 68.7 Favored 'General case' 0 N--CA 1.464 0.235 0 O-C-N 123.247 0.342 . . . . 0.0 111.154 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 14' ' ' ALA . . . . . 0.606 ' CB ' ' H5 ' ' C' ' 22' ' ' IPH . . . -52.46 -51.3 60.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.412 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 15' ' ' LEU . . . . . 0.415 ' CD1' HD11 ' C' ' 2' ' ' ILE . 76.7 mt -69.68 -33.35 72.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.32 0.581 . . . . 0.0 110.669 179.292 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 16' ' ' TYR . . . . . 0.667 ' HB2' ' O ' ' D' ' 12' ' ' VAL . 0.6 OUTLIER -67.65 -20.02 65.27 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.007 -179.104 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . 0.476 ' HA ' HD13 ' D' ' 17' ' ' LEU . 0.5 OUTLIER -89.28 -48.53 7.3 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.027 0.442 . . . . 0.0 109.865 178.565 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 60.4 t -68.47 -47.01 79.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.996 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 19' ' ' CYS . . . . . . . . . . . . . 1.6 m -101.55 32.94 3.13 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.528 -179.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.27 -37.9 93.73 Favored Glycine 0 CA--C 1.517 0.191 0 CA-C-N 115.997 -0.547 . . . . 0.0 114.214 -178.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -90.9 7.47 39.91 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 117.049 0.424 . . . . 0.0 112.12 -178.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 22' ' ' ARG . . . . . 0.575 ' HB3' ' HB2' ' C' ' 21' ' ' ASN . 94.2 mtt180 -126.94 -77.51 0.58 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.862 0.839 . . . . 0.0 110.373 178.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 23' ' ' GLY . . . . . 0.428 ' HA3' ' HA ' ' B' ' 27' ' ' THR . . . 146.14 175.81 19.48 Favored Glycine 0 N--CA 1.438 -1.172 0 CA-C-N 114.398 -1.274 . . . . 0.0 110.18 -178.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 24' ' ' PHE . . . . . . . . . . . . . 18.8 p90 -140.99 143.05 34.24 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.241 0.544 . . . . 0.0 110.928 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 25' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -97.25 105.46 17.61 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 26' ' ' TYR . . . . . 0.43 ' CE2' ' HG3' ' D' ' 28' ' ' PRO . 37.8 t80 -97.15 96.86 8.73 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.543 -0.463 . . . . 0.0 111.135 -178.496 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 27' ' ' THR . . . . . 0.424 ' HA ' ' HA3' ' B' ' 23' ' ' GLY . 39.0 m -115.74 97.7 49.46 Favored Pre-proline 0 C--N 1.32 -0.692 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.303 179.452 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 28' ' ' PRO . . . . . 0.43 ' HG3' ' CE2' ' D' ' 26' ' ' TYR . 16.5 Cg_exo -67.32 -21.03 48.17 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 123.2 2.6 . . . . 0.0 111.766 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 29' ' ' LYS . . . . . 0.423 ' HZ2' ' HB3' ' D' ' 29' ' ' LYS . 0.0 OUTLIER -67.87 113.42 5.59 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.454 179.413 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 C--O 1.249 1.068 0 CA-C-O 119.075 -0.488 . . . . 0.0 110.369 -179.914 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' E' E ' 1' ' ' GLY . . . . . 0.71 ' O ' ' HB3' ' E' ' 5' ' ' GLN . . . . . . . . 0 N--CA 1.482 1.752 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 2' ' ' ILE . . . . . 0.414 HD11 ' CD1' ' F' ' 15' ' ' LEU . 14.6 tt -91.25 -14.41 8.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-O 121.097 0.475 . . . . 0.0 110.993 -178.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 3' ' ' VAL . . . . . 0.416 ' CG2' ' HA ' ' F' ' 28' ' ' PRO . 19.4 t -93.6 -87.41 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 112.419 0.525 . . . . 0.0 112.419 -179.311 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 4' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -59.44 -41.15 88.95 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -177.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 5' ' ' GLN . . . . . 0.71 ' HB3' ' O ' ' E' ' 1' ' ' GLY . 22.5 tt0 -61.21 -32.15 71.92 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.665 0.269 . . . . 0.0 110.866 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 6' ' ' CYS . . . . . . . . . . . . . 86.1 m -104.28 10.12 35.7 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -179.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 7' ' ' CYS . . . . . . . . . . . . . 19.4 t -132.92 39.53 3.3 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.492 0.663 . . . . 0.0 110.269 179.294 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -124.55 -47.89 1.83 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.197 178.659 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 9' ' ' SER . . . . . 0.446 ' O ' ' HB ' ' E' ' 10' ' ' ILE . 20.6 t -148.32 21.36 1.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.868 0.366 . . . . 0.0 110.26 179.174 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 10' ' ' ILE . . . . . 0.508 ' HA ' ' O1 ' ' E' ' 22' ' ' IPH . 2.8 mp 74.4 123.89 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.438 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 11' ' ' CYS . . . . . . . . . . . . . 3.3 m -74.48 163.57 27.6 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.422 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 12' ' ' SER . . . . . . . . . . . . . 33.1 p -90.93 162.05 14.92 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 178.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 13' ' ' LEU . . . . . 0.936 HD11 HD11 ' K' ' 13' ' ' LEU . 3.0 tt -56.71 -42.68 79.58 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.202 -179.206 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -62.97 -36.9 85.04 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.936 -179.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -67.35 -40.22 85.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.968 0.413 . . . . 0.0 111.14 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 16' ' ' LEU . . . . . 0.408 ' HB3' HD23 ' F' ' 15' ' ' LEU . 84.3 mt -74.02 -21.89 59.79 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.577 -179.378 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 17' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -60.65 -33.27 72.56 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 112.127 0.418 . . . . 0.0 112.127 -178.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 18' ' ' ASN . . . . . . . . . . . . . 21.1 p30 -91.55 13.07 18.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.87 0.367 . . . . 0.0 111.678 -179.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 19' ' ' TYR . . . . . . . . . . . . . 16.2 m-30 -108.08 18.24 21.4 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.318 0.58 . . . . 0.0 110.349 179.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 20' ' ' CYS . . . . . . . . . . . . . 58.3 m -93.84 175.81 6.58 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.589 179.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 21' ' ' ASN . . . . . 0.553 ' HB2' ' HB3' ' F' ' 22' ' ' ARG . 4.0 m120 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.445 -0.788 . . . . 0.0 110.291 179.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 1' ' ' PHE . . . . . . . . . . . . . 36.6 t80 . . . . . 0 N--CA 1.481 1.083 0 CA-C-O 120.883 0.373 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' F' F ' 2' ' ' VAL . . . . . . . . . . . . . 11.2 p -82.21 63.35 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 CA-C-O 122.579 1.18 . . . . 0.0 111.204 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 3' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -153.96 -50.73 0.09 Allowed 'General case' 0 C--O 1.214 -0.807 0 CA-C-N 115.069 -0.968 . . . . 0.0 108.463 178.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 4' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -49.51 -52.4 29.79 Favored 'General case' 0 N--CA 1.462 0.156 0 O-C-N 123.679 0.612 . . . . 0.0 111.836 179.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 5' ' ' HIS . . . . . 0.419 ' CE1' HD22 ' H' ' 17' ' ' LEU . 64.8 t60 -59.07 -40.06 84.03 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.794 0.331 . . . . 0.0 111.093 -179.686 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 6' ' ' LEU . . . . . . . . . . . . . 4.1 mt -78.97 -22.06 46.18 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.551 0.691 . . . . 0.0 110.068 -178.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 7' ' ' CYS . . . . . . . . . . . . . 39.9 t -77.21 -46.78 22.12 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.643 -1.162 . . . . 0.0 110.207 -179.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 8' ' ' GLY . . . . . 0.515 ' HA2' ' HG ' ' F' ' 11' ' ' LEU . . . -57.19 -32.29 63.16 Favored Glycine 0 N--CA 1.452 -0.26 0 CA-C-N 115.778 -0.647 . . . . 0.0 113.776 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 9' ' ' SER . . . . . 0.496 ' HB2' ' HE1' ' B' ' 10' ' ' HIS . 0.7 OUTLIER -66.1 -1.64 3.38 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.937 0.399 . . . . 0.0 111.681 -179.6 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' F' F ' 10' ' ' HIS . . . . . 0.497 ' HE1' ' HB2' ' J' ' 9' ' ' SER . 91.8 m-70 -109.66 -36.15 6.02 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 178.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 11' ' ' LEU . . . . . 0.515 ' HG ' ' HA2' ' F' ' 8' ' ' GLY . 0.6 OUTLIER -66.52 -27.88 68.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.769 179.561 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' F' F ' 12' ' ' VAL . . . . . 0.667 ' O ' ' HB2' ' F' ' 16' ' ' TYR . 16.3 m -56.73 -48.73 80.45 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.684 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.803 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 13' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -56.22 -51.49 67.88 Favored 'General case' 0 N--CA 1.464 0.227 0 O-C-N 123.257 0.348 . . . . 0.0 111.049 179.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 14' ' ' ALA . . . . . 0.597 ' CB ' ' H5 ' ' E' ' 22' ' ' IPH . . . -52.3 -51.66 57.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.261 -179.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 15' ' ' LEU . . . . . 0.414 ' CD1' HD11 ' E' ' 2' ' ' ILE . 77.4 mt -69.32 -33.33 72.98 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.384 0.612 . . . . 0.0 110.789 179.283 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 16' ' ' TYR . . . . . 0.667 ' HB2' ' O ' ' F' ' 12' ' ' VAL . 0.6 OUTLIER -67.37 -20.65 65.59 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.99 -179.115 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' F' F ' 17' ' ' LEU . . . . . 0.483 ' HA ' HD13 ' F' ' 17' ' ' LEU . 0.5 OUTLIER -89.18 -46.96 8.41 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.144 0.497 . . . . 0.0 110.135 178.747 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 60.6 t -70.54 -43.84 77.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.132 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 m -104.66 33.24 3.66 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.117 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.96 -35.05 90.82 Favored Glycine 0 CA--C 1.516 0.099 0 N-CA-C 114.55 0.58 . . . . 0.0 114.55 -178.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 21' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -93.21 7.97 42.12 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 117.104 0.452 . . . . 0.0 112.081 -179.098 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 22' ' ' ARG . . . . . 0.553 ' HB3' ' HB2' ' E' ' 21' ' ' ASN . 94.3 mtt180 -127.57 -78.99 0.58 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.779 0.8 . . . . 0.0 109.959 178.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 23' ' ' GLY . . . . . . . . . . . . . . . 148.26 175.83 21.22 Favored Glycine 0 N--CA 1.441 -1.014 0 CA-C-N 114.368 -1.287 . . . . 0.0 110.215 -179.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 24' ' ' PHE . . . . . . . . . . . . . 18.7 p90 -140.76 142.89 34.69 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 121.222 0.535 . . . . 0.0 110.737 179.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 25' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -97.2 106.77 19.16 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 179.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 26' ' ' TYR . . . . . 0.448 ' CE2' ' HG3' ' F' ' 28' ' ' PRO . 38.8 t80 -98.64 96.36 7.89 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.932 -178.414 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 27' ' ' THR . . . . . 0.417 ' HA ' ' HA3' ' H' ' 23' ' ' GLY . 38.9 m -115.28 97.92 49.38 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.444 179.413 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 28' ' ' PRO . . . . . 0.448 ' HG3' ' CE2' ' F' ' 26' ' ' TYR . 16.7 Cg_exo -67.72 -20.28 46.53 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 123.244 2.629 . . . . 0.0 111.727 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.38 112.97 5.56 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.336 179.315 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 30' ' ' THR . . . . . . . . . . . . . 1.1 p . . . . . 0 C--O 1.248 0.986 0 CA-C-O 118.994 -0.527 . . . . 0.0 109.746 179.563 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' G' G ' 1' ' ' GLY . . . . . 0.682 ' O ' ' HB3' ' G' ' 5' ' ' GLN . . . . . . . . 0 N--CA 1.481 1.635 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 2' ' ' ILE . . . . . 0.414 HD11 HD11 ' H' ' 15' ' ' LEU . 13.0 tt -92.92 -11.5 9.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-O 121.515 0.674 . . . . 0.0 111.164 -178.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 3' ' ' VAL . . . . . 0.401 ' CG2' ' HA ' ' H' ' 28' ' ' PRO . 18.8 t -95.95 -87.71 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.138 -0.483 . . . . 0.0 112.028 -179.195 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 4' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -59.54 -40.97 88.94 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -178.063 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 5' ' ' GLN . . . . . 0.682 ' HB3' ' O ' ' G' ' 1' ' ' GLY . 20.7 tt0 -61.16 -31.7 71.43 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 121.107 -0.237 . . . . 0.0 110.674 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 6' ' ' CYS . . . . . . . . . . . . . 88.0 m -104.82 9.97 34.66 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -179.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 7' ' ' CYS . . . . . . . . . . . . . 17.1 t -132.62 39.24 3.37 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.524 0.678 . . . . 0.0 110.459 179.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -124.88 -45.96 1.86 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.462 178.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 9' ' ' SER . . . . . 0.423 ' O ' ' HB ' ' G' ' 10' ' ' ILE . 19.0 t -150.38 21.6 0.83 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.979 0.419 . . . . 0.0 110.259 179.387 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 10' ' ' ILE . . . . . 0.488 ' HA ' ' O1 ' ' G' ' 22' ' ' IPH . 2.8 mp 73.54 125.51 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.53 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 11' ' ' CYS . . . . . . . . . . . . . 3.3 m -76.57 162.69 27.57 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.481 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 12' ' ' SER . . . . . . . . . . . . . 43.7 p -90.01 161.89 15.64 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.471 178.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 13' ' ' LEU . . . . . 0.948 HD11 HD11 ' A' ' 13' ' ' LEU . 3.0 tt -57.07 -41.15 78.28 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.15 -179.027 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -64.84 -35.29 80.64 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.074 -0.512 . . . . 0.0 112.088 -179.063 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -68.81 -40.45 79.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.989 0.423 . . . . 0.0 110.78 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 16' ' ' LEU . . . . . 0.4 ' HB3' HD23 ' H' ' 15' ' ' LEU . 86.6 mt -73.24 -22.68 60.37 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.859 -179.381 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 17' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -60.64 -32.71 71.86 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -178.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 18' ' ' ASN . . . . . . . . . . . . . 20.5 p30 -92.36 15.15 14.52 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.938 0.399 . . . . 0.0 111.573 -179.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 19' ' ' TYR . . . . . . . . . . . . . 15.4 m-30 -110.24 18.38 19.97 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.336 0.588 . . . . 0.0 110.242 179.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 20' ' ' CYS . . . . . . . . . . . . . 57.8 m -94.0 175.52 6.68 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.52 179.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 21' ' ' ASN . . . . . 0.525 ' HB2' ' HB3' ' H' ' 22' ' ' ARG . 4.7 m120 . . . . . 0 C--O 1.245 0.85 0 CA-C-O 118.75 -0.643 . . . . 0.0 109.676 178.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 1' ' ' PHE . . . . . . . . . . . . . 35.3 t80 . . . . . 0 N--CA 1.483 1.177 0 CA-C-O 120.766 0.317 . . . . 0.0 111.45 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' H' H ' 2' ' ' VAL . . . . . 0.414 HG13 ' O ' ' H' ' 2' ' ' VAL . 11.1 p -83.18 64.01 0.38 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 CA-C-O 122.616 1.198 . . . . 0.0 111.022 179.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' H' H ' 3' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -154.09 -51.15 0.09 Allowed 'General case' 0 C--O 1.215 -0.736 0 CA-C-N 114.899 -1.046 . . . . 0.0 108.466 178.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 4' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -49.34 -52.73 26.19 Favored 'General case' 0 N--CA 1.463 0.212 0 O-C-N 123.807 0.692 . . . . 0.0 111.8 179.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 5' ' ' HIS . . . . . 0.404 ' CE1' HD22 ' F' ' 17' ' ' LEU . 64.3 t60 -58.78 -40.48 84.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.861 0.363 . . . . 0.0 111.176 -179.576 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' H' H ' 6' ' ' LEU . . . . . . . . . . . . . 4.2 mt -77.81 -23.53 49.05 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.452 0.644 . . . . 0.0 110.215 -179.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 7' ' ' CYS . . . . . . . . . . . . . 42.2 t -76.02 -46.99 26.59 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 114.709 -1.132 . . . . 0.0 110.527 -179.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 8' ' ' GLY . . . . . 0.521 ' HA2' ' HG ' ' H' ' 11' ' ' LEU . . . -57.09 -32.36 62.87 Favored Glycine 0 N--CA 1.453 -0.206 0 CA-C-N 115.669 -0.696 . . . . 0.0 113.779 -179.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' H' H ' 9' ' ' SER . . . . . 0.501 ' HB2' ' HE1' ' L' ' 10' ' ' HIS . 0.7 OUTLIER -65.86 -2.25 3.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.988 0.423 . . . . 0.0 111.756 -179.667 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' H' H ' 10' ' ' HIS . . . . . 0.53 ' HE1' ' HB2' ' D' ' 9' ' ' SER . 92.2 m-70 -109.33 -35.88 6.16 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 178.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' H' H ' 11' ' ' LEU . . . . . 0.521 ' HG ' ' HA2' ' H' ' 8' ' ' GLY . 0.7 OUTLIER -66.52 -28.58 68.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.653 179.477 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' H' H ' 12' ' ' VAL . . . . . 0.665 ' O ' ' HB2' ' H' ' 16' ' ' TYR . 16.4 m -56.07 -49.17 77.19 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.633 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' H' H ' 13' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -55.82 -51.42 67.55 Favored 'General case' 0 N--CA 1.464 0.259 0 O-C-N 123.293 0.37 . . . . 0.0 111.235 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 14' ' ' ALA . . . . . 0.614 ' CB ' ' H5 ' ' G' ' 22' ' ' IPH . . . -52.47 -51.07 61.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.473 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' H' H ' 15' ' ' LEU . . . . . 0.414 HD11 HD11 ' G' ' 2' ' ' ILE . 75.8 mt -70.07 -32.88 71.18 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.44 0.638 . . . . 0.0 110.774 179.326 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' H' H ' 16' ' ' TYR . . . . . 0.665 ' HB2' ' O ' ' H' ' 12' ' ' VAL . 0.6 OUTLIER -67.8 -20.6 65.21 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.003 -179.158 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' H' H ' 17' ' ' LEU . . . . . 0.516 HD13 ' HA ' ' H' ' 17' ' ' LEU . 0.6 OUTLIER -88.99 -48.61 7.31 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 178.528 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 59.1 t -68.33 -45.22 82.91 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.326 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 19' ' ' CYS . . . . . . . . . . . . . 1.6 m -103.36 32.32 3.86 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.337 -179.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.89 -37.27 92.32 Favored Glycine 0 CA--C 1.519 0.29 0 CA-C-N 115.882 -0.599 . . . . 0.0 114.573 -178.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 21' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -92.12 7.61 41.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 117.151 0.476 . . . . 0.0 111.908 -178.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 22' ' ' ARG . . . . . 0.525 ' HB3' ' HB2' ' G' ' 21' ' ' ASN . 93.5 mtt180 -126.33 -79.38 0.6 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.691 0.758 . . . . 0.0 110.164 178.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' H' H ' 23' ' ' GLY . . . . . 0.417 ' HA3' ' HA ' ' F' ' 27' ' ' THR . . . 148.22 176.58 21.82 Favored Glycine 0 N--CA 1.44 -1.074 0 CA-C-N 114.467 -1.242 . . . . 0.0 110.211 -179.189 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' H' H ' 24' ' ' PHE . . . . . . . . . . . . . 19.2 p90 -141.73 142.92 33.29 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.19 0.519 . . . . 0.0 110.868 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 25' ' ' PHE . . . . . 0.402 ' H ' ' HD1' ' H' ' 25' ' ' PHE . 2.2 p90 -97.32 106.46 18.78 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 179.313 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' H' H ' 26' ' ' TYR . . . . . 0.447 ' CE2' ' HG3' ' H' ' 28' ' ' PRO . 39.0 t80 -98.17 96.24 7.96 Favored 'General case' 0 C--N 1.318 -0.773 0 C-N-CA 120.574 -0.45 . . . . 0.0 111.095 -178.475 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' H' H ' 27' ' ' THR . . . . . . . . . . . . . 37.0 m -115.01 98.08 49.43 Favored Pre-proline 0 C--N 1.319 -0.725 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.231 179.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 28' ' ' PRO . . . . . 0.447 ' HG3' ' CE2' ' H' ' 26' ' ' TYR . 15.7 Cg_exo -67.86 -19.98 45.99 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 123.153 2.568 . . . . 0.0 111.749 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' H' H ' 29' ' ' LYS . . . . . 0.412 ' HZ2' ' HB3' ' H' ' 29' ' ' LYS . 0.0 OUTLIER -68.92 113.05 5.98 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 179.483 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' H' H ' 30' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 C--O 1.249 1.037 0 CA-C-O 119.081 -0.485 . . . . 0.0 110.241 179.899 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' I' I ' 1' ' ' GLY . . . . . 0.717 ' O ' ' HB3' ' I' ' 5' ' ' GLN . . . . . . . . 0 N--CA 1.483 1.773 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 2' ' ' ILE . . . . . 0.408 HD11 ' CD1' ' J' ' 15' ' ' LEU . 13.5 tt -91.53 -12.18 9.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-O 121.138 0.494 . . . . 0.0 111.364 -178.561 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' I' I ' 3' ' ' VAL . . . . . 0.412 ' CG2' ' HA ' ' J' ' 28' ' ' PRO . 20.6 t -95.33 -86.72 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -179.234 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' I' I ' 4' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -60.32 -41.46 93.55 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 -178.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 5' ' ' GLN . . . . . 0.717 ' HB3' ' O ' ' I' ' 1' ' ' GLY . 21.1 tt0 -60.8 -31.43 70.81 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.553 0.216 . . . . 0.0 110.768 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' I' I ' 6' ' ' CYS . . . . . . . . . . . . . 89.1 m -104.92 9.9 34.47 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 7' ' ' CYS . . . . . . . . . . . . . 17.4 t -133.22 40.64 3.17 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.521 0.676 . . . . 0.0 110.468 179.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -125.86 -46.44 1.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.292 179.039 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' I' I ' 9' ' ' SER . . . . . 0.449 ' O ' ' HB ' ' I' ' 10' ' ' ILE . 14.1 t -150.35 21.57 0.84 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.0 179.29 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' I' I ' 10' ' ' ILE . . . . . 0.504 ' HA ' ' O1 ' ' I' ' 22' ' ' IPH . 2.8 mp 74.04 127.22 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.269 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' I' I ' 11' ' ' CYS . . . . . . . . . . . . . 2.3 m -77.74 163.89 25.74 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.328 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 12' ' ' SER . . . . . . . . . . . . . 24.5 p -91.02 161.96 14.91 Favored 'General case' 0 N--CA 1.445 -0.71 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 178.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 13' ' ' LEU . . . . . 0.973 HD11 HD11 ' C' ' 13' ' ' LEU . 3.1 tt -57.24 -41.7 80.07 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.158 -179.003 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -64.13 -35.87 82.18 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.071 -0.513 . . . . 0.0 112.019 -179.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -68.12 -40.27 82.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.004 0.431 . . . . 0.0 110.891 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 16' ' ' LEU . . . . . 0.41 ' HB3' HD23 ' J' ' 15' ' ' LEU . 82.7 mt -73.89 -22.71 59.61 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.529 -179.136 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' I' I ' 17' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -60.33 -31.79 70.62 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -178.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 18' ' ' ASN . . . . . . . . . . . . . 20.0 p30 -93.12 13.33 21.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.941 0.401 . . . . 0.0 111.671 -179.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 19' ' ' TYR . . . . . . . . . . . . . 16.2 m-30 -109.12 19.18 19.79 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.176 0.513 . . . . 0.0 110.352 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 20' ' ' CYS . . . . . . . . . . . . . 59.1 m -94.9 175.66 6.56 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.195 179.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 21' ' ' ASN . . . . . 0.545 ' HB2' ' HB3' ' J' ' 22' ' ' ARG . 4.6 m120 . . . . . 0 C--O 1.246 0.885 0 CA-C-O 118.792 -0.623 . . . . 0.0 109.613 178.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 1' ' ' PHE . . . . . . . . . . . . . 36.8 t80 . . . . . 0 N--CA 1.48 1.028 0 CA-C-O 120.639 0.257 . . . . 0.0 111.073 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' J' J ' 2' ' ' VAL . . . . . 0.419 ' O ' HG13 ' J' ' 2' ' ' VAL . 13.1 p -81.86 63.12 0.31 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 CA-C-O 122.502 1.144 . . . . 0.0 110.977 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' J' J ' 3' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -153.44 -50.68 0.1 Allowed 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 178.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 4' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -49.76 -52.66 30.09 Favored 'General case' 0 N--CA 1.464 0.248 0 O-C-N 123.773 0.671 . . . . 0.0 111.814 179.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 5' ' ' HIS . . . . . 0.406 ' CE1' HD22 ' L' ' 17' ' ' LEU . 66.3 t60 -59.06 -39.76 83.07 Favored 'General case' 0 C--O 1.224 -0.284 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.071 -179.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' J' J ' 6' ' ' LEU . . . . . . . . . . . . . 4.4 mt -78.52 -23.14 46.42 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.443 0.639 . . . . 0.0 110.138 -179.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 7' ' ' CYS . . . . . . . . . . . . . 38.7 t -76.12 -46.85 26.81 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.618 -1.174 . . . . 0.0 110.649 -179.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 8' ' ' GLY . . . . . 0.533 ' HA2' ' HG ' ' J' ' 11' ' ' LEU . . . -57.41 -32.07 63.75 Favored Glycine 0 N--CA 1.452 -0.24 0 CA-C-N 115.725 -0.67 . . . . 0.0 113.722 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' J' J ' 9' ' ' SER . . . . . 0.497 ' HB2' ' HE1' ' F' ' 10' ' ' HIS . 0.7 OUTLIER -66.18 -2.0 3.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.966 0.412 . . . . 0.0 111.698 -179.81 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' J' J ' 10' ' ' HIS . . . . . 0.497 ' HE1' ' HB2' ' B' ' 9' ' ' SER . 92.3 m-70 -109.35 -35.78 6.18 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 178.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' J' J ' 11' ' ' LEU . . . . . 0.533 ' HG ' ' HA2' ' J' ' 8' ' ' GLY . 0.7 OUTLIER -66.81 -28.43 68.36 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.685 179.64 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' J' J ' 12' ' ' VAL . . . . . 0.667 ' O ' ' HB2' ' J' ' 16' ' ' TYR . 16.8 m -56.16 -48.63 78.95 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.587 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.867 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' J' J ' 13' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -56.07 -51.73 66.8 Favored 'General case' 0 N--CA 1.465 0.297 0 O-C-N 123.243 0.34 . . . . 0.0 111.003 179.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 14' ' ' ALA . . . . . 0.61 ' CB ' ' H5 ' ' I' ' 22' ' ' IPH . . . -52.14 -51.57 57.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.353 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' J' J ' 15' ' ' LEU . . . . . 0.41 HD23 ' HB3' ' I' ' 16' ' ' LEU . 74.9 mt -69.88 -32.52 70.91 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.449 0.642 . . . . 0.0 110.822 179.48 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' J' J ' 16' ' ' TYR . . . . . 0.667 ' HB2' ' O ' ' J' ' 12' ' ' VAL . 0.6 OUTLIER -68.09 -19.94 64.89 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.06 -179.161 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' J' J ' 17' ' ' LEU . . . . . 0.51 ' HA ' HD13 ' J' ' 17' ' ' LEU . 0.5 OUTLIER -89.62 -48.24 7.42 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 178.481 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 61.6 t -69.26 -43.32 81.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.288 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 m -105.28 32.73 4.06 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.021 -179.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.33 -35.07 90.39 Favored Glycine 0 CA--C 1.519 0.299 0 CA-C-N 115.852 -0.613 . . . . 0.0 114.62 -178.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 21' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -92.63 4.78 52.99 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 117.515 0.657 . . . . 0.0 111.885 -178.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 22' ' ' ARG . . . . . 0.545 ' HB3' ' HB2' ' I' ' 21' ' ' ASN . 94.4 mtt180 -124.14 -78.7 0.6 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.734 0.778 . . . . 0.0 110.4 179.11 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' J' J ' 23' ' ' GLY . . . . . 0.43 ' HA3' ' HA ' ' L' ' 27' ' ' THR . . . 147.79 176.28 21.23 Favored Glycine 0 N--CA 1.44 -1.068 0 CA-C-N 114.413 -1.267 . . . . 0.0 110.181 -179.15 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' J' J ' 24' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -141.3 142.79 33.83 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.294 0.569 . . . . 0.0 110.97 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 25' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -97.09 106.05 18.31 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 179.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 26' ' ' TYR . . . . . 0.442 ' CE2' ' HG3' ' J' ' 28' ' ' PRO . 38.9 t80 -97.82 96.21 8.06 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 120.493 -0.483 . . . . 0.0 111.108 -178.334 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' J' J ' 27' ' ' THR . . . . . 0.411 ' HA ' ' HA3' ' L' ' 23' ' ' GLY . 46.0 m -115.19 97.7 48.76 Favored Pre-proline 0 C--N 1.321 -0.662 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.411 179.535 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' J' J ' 28' ' ' PRO . . . . . 0.442 ' HG3' ' CE2' ' J' ' 26' ' ' TYR . 16.7 Cg_exo -67.17 -19.94 50.25 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 123.281 2.654 . . . . 0.0 111.735 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' J' J ' 29' ' ' LYS . . . . . 0.433 ' HZ2' ' HB3' ' J' ' 29' ' ' LYS . 0.0 OUTLIER -69.5 112.72 6.21 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 179.394 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' J' J ' 30' ' ' THR . . . . . . . . . . . . . 1.4 p . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.932 -0.556 . . . . 0.0 110.548 179.979 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' K' K ' 1' ' ' GLY . . . . . 0.699 ' O ' ' HB3' ' K' ' 5' ' ' GLN . . . . . . . . 0 N--CA 1.485 1.912 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' K' K ' 2' ' ' ILE . . . . . 0.406 HD11 ' CD1' ' L' ' 15' ' ' LEU . 12.5 tt -93.14 -11.21 9.24 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 O-C-N 122.36 -0.494 . . . . 0.0 111.132 -178.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' K' K ' 3' ' ' VAL . . . . . 0.415 ' CG2' ' HA ' ' L' ' 28' ' ' PRO . 20.6 t -96.91 -85.65 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -179.373 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' K' K ' 4' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -60.9 -41.09 95.41 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -177.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' K' K ' 5' ' ' GLN . . . . . 0.699 ' HB3' ' O ' ' K' ' 1' ' ' GLY . 21.9 tt0 -61.22 -32.72 72.5 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.552 0.215 . . . . 0.0 110.681 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' K' K ' 6' ' ' CYS . . . . . . . . . . . . . 89.3 m -104.09 10.23 36.05 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.362 0.505 . . . . 0.0 112.362 -179.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' K' K ' 7' ' ' CYS . . . . . . . . . . . . . 17.6 t -133.13 39.96 3.24 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.541 0.686 . . . . 0.0 110.214 179.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' K' K ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -125.35 -45.35 1.82 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.459 178.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' K' K ' 9' ' ' SER . . . . . 0.437 ' O ' ' HB ' ' K' ' 10' ' ' ILE . 14.8 t -151.14 22.18 0.75 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.994 0.426 . . . . 0.0 109.884 179.231 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' K' K ' 10' ' ' ILE . . . . . 0.505 ' HA ' ' O1 ' ' K' ' 22' ' ' IPH . 2.8 mp 72.82 126.2 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.307 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' K' K ' 11' ' ' CYS . . . . . . . . . . . . . 2.3 m -76.83 163.75 26.48 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.594 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' K' K ' 12' ' ' SER . . . . . . . . . . . . . 46.9 p -91.75 160.61 15.25 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.565 178.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' K' K ' 13' ' ' LEU . . . . . 0.936 HD11 HD11 ' E' ' 13' ' ' LEU . 2.9 tt -55.25 -42.2 73.17 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.397 -178.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -64.21 -35.48 80.95 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.19 -0.459 . . . . 0.0 112.033 -179.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -68.79 -39.3 80.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.985 0.421 . . . . 0.0 111.103 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' K' K ' 16' ' ' LEU . . . . . 0.413 ' HB3' HD23 ' L' ' 15' ' ' LEU . 84.4 mt -74.33 -22.68 59.13 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.532 -179.398 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' K' K ' 17' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -60.06 -33.4 72.0 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -178.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' K' K ' 18' ' ' ASN . . . . . . . . . . . . . 20.7 p30 -91.37 12.6 19.98 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.919 0.39 . . . . 0.0 111.659 -179.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' K' K ' 19' ' ' TYR . . . . . . . . . . . . . 16.1 m-30 -107.81 18.44 21.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.326 0.584 . . . . 0.0 110.52 179.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' K' K ' 20' ' ' CYS . . . . . . . . . . . . . 57.4 m -93.87 175.53 6.69 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.531 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' K' K ' 21' ' ' ASN . . . . . 0.549 ' HB2' ' HB3' ' L' ' 22' ' ' ARG . 4.8 m120 . . . . . 0 C--O 1.246 0.887 0 CA-C-O 118.613 -0.708 . . . . 0.0 110.047 178.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' L' L ' 1' ' ' PHE . . . . . . . . . . . . . 37.2 t80 . . . . . 0 N--CA 1.482 1.162 0 CA-C-O 120.831 0.348 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' L' L ' 2' ' ' VAL . . . . . 0.4 ' O ' HG13 ' L' ' 2' ' ' VAL . 10.4 p -81.69 63.6 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 CA-C-O 122.341 1.067 . . . . 0.0 111.236 179.633 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' L' L ' 3' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -154.3 -51.34 0.09 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.927 -1.033 . . . . 0.0 108.415 178.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' L' L ' 4' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -49.28 -52.22 28.88 Favored 'General case' 0 N--CA 1.464 0.242 0 O-C-N 123.814 0.696 . . . . 0.0 111.828 179.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' L' L ' 5' ' ' HIS . . . . . 0.425 ' CE1' HD22 ' J' ' 17' ' ' LEU . 66.0 t60 -59.35 -39.48 83.37 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-O 120.783 0.325 . . . . 0.0 111.211 -179.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' L' L ' 6' ' ' LEU . . . . . . . . . . . . . 4.5 mt -78.94 -23.36 44.69 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.623 0.725 . . . . 0.0 110.032 -178.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' L' L ' 7' ' ' CYS . . . . . . . . . . . . . 37.5 t -75.93 -47.14 26.39 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.587 -1.188 . . . . 0.0 110.478 -179.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' L' L ' 8' ' ' GLY . . . . . 0.533 ' HA2' ' HG ' ' L' ' 11' ' ' LEU . . . -57.0 -31.87 61.96 Favored Glycine 0 C--N 1.331 0.277 0 CA-C-N 115.773 -0.649 . . . . 0.0 113.821 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' L' L ' 9' ' ' SER . . . . . 0.518 ' HB2' ' HE1' ' D' ' 10' ' ' HIS . 0.7 OUTLIER -66.58 -0.65 2.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.919 0.39 . . . . 0.0 111.822 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' L' L ' 10' ' ' HIS . . . . . 0.501 ' HE1' ' HB2' ' H' ' 9' ' ' SER . 91.6 m-70 -110.8 -36.22 5.76 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 178.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' L' L ' 11' ' ' LEU . . . . . 0.533 ' HG ' ' HA2' ' L' ' 8' ' ' GLY . 0.6 OUTLIER -66.25 -28.28 68.6 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.784 179.471 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' L' L ' 12' ' ' VAL . . . . . 0.657 ' O ' ' HB2' ' L' ' 16' ' ' TYR . 16.5 m -56.39 -48.79 79.35 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.703 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.871 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' L' L ' 13' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 -56.24 -51.14 69.18 Favored 'General case' 0 N--CA 1.465 0.322 0 O-C-N 123.252 0.345 . . . . 0.0 111.202 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' L' L ' 14' ' ' ALA . . . . . 0.603 ' CB ' ' H5 ' ' K' ' 22' ' ' IPH . . . -52.67 -50.63 62.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.437 -179.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' L' L ' 15' ' ' LEU . . . . . 0.413 HD23 ' HB3' ' K' ' 16' ' ' LEU . 76.1 mt -70.54 -33.05 70.72 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.308 0.575 . . . . 0.0 110.715 179.32 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' L' L ' 16' ' ' TYR . . . . . 0.657 ' HB2' ' O ' ' L' ' 12' ' ' VAL . 0.6 OUTLIER -67.87 -19.37 65.02 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.518 -0.764 . . . . 0.0 111.25 -179.273 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' L' L ' 17' ' ' LEU . . . . . 0.52 ' HA ' HD13 ' L' ' 17' ' ' LEU . 0.5 OUTLIER -90.15 -48.47 7.15 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 178.456 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 56.5 t -68.93 -44.58 81.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.135 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' L' L ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 m -104.5 33.56 3.49 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.342 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' L' L ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.91 -36.21 92.49 Favored Glycine 0 CA--C 1.518 0.259 0 CA-C-N 116.005 -0.543 . . . . 0.0 114.439 -178.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' L' L ' 21' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -92.09 7.78 40.81 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 117.198 0.499 . . . . 0.0 111.946 -178.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' L' L ' 22' ' ' ARG . . . . . 0.549 ' HB3' ' HB2' ' K' ' 21' ' ' ASN . 93.4 mtt180 -127.2 -79.28 0.59 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.659 0.743 . . . . 0.0 110.021 178.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' L' L ' 23' ' ' GLY . . . . . 0.411 ' HA3' ' HA ' ' J' ' 27' ' ' THR . . . 148.06 176.1 21.29 Favored Glycine 0 N--CA 1.44 -1.085 0 CA-C-N 114.374 -1.285 . . . . 0.0 110.152 -179.221 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' L' L ' 24' ' ' PHE . . . . . . . . . . . . . 19.2 p90 -141.03 143.05 34.18 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.357 0.599 . . . . 0.0 110.912 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' L' L ' 25' ' ' PHE . . . . . 0.418 ' H ' ' HD1' ' L' ' 25' ' ' PHE . 1.9 p90 -97.21 105.7 17.9 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 179.315 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' L' L ' 26' ' ' TYR . . . . . 0.429 ' CE2' ' HG3' ' L' ' 28' ' ' PRO . 39.3 t80 -97.7 96.54 8.33 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 120.586 -0.446 . . . . 0.0 111.146 -178.52 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' L' L ' 27' ' ' THR . . . . . 0.43 ' HA ' ' HA3' ' J' ' 23' ' ' GLY . 34.7 m -115.26 98.22 50.02 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.371 179.597 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' L' L ' 28' ' ' PRO . . . . . 0.429 ' HG3' ' CE2' ' L' ' 26' ' ' TYR . 16.5 Cg_exo -67.8 -20.88 45.34 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 123.046 2.498 . . . . 0.0 111.643 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' L' L ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.1 112.89 5.33 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 179.397 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' L' L ' 30' ' ' THR . . . . . . . . . . . . . 1.1 p . . . . . 0 C--O 1.245 0.838 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.064 -179.794 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' IPH . . . . . 0.619 ' H5 ' ' CB ' ' B' ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 22' ' ' IPH . . . . . 0.606 ' H5 ' ' CB ' ' D' ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 22' ' ' IPH . . . . . 0.597 ' H5 ' ' CB ' ' F' ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 22' ' ' IPH . . . . . 0.614 ' H5 ' ' CB ' ' H' ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 22' ' ' IPH . . . . . 0.61 ' H5 ' ' CB ' ' J' ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' K' K ' 22' ' ' IPH . . . . . 0.603 ' H5 ' ' CB ' ' L' ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.296 0 CA-C-O 119.796 -0.447 . . . . 0.0 112.968 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.857 HG23 ' H ' ' A' ' 3' ' ' VAL . 9.0 tt 32.19 -89.65 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 C-N-CA 125.063 1.345 . . . . 0.0 114.22 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.857 ' H ' HG23 ' A' ' 2' ' ' ILE . 4.6 t -56.1 -54.59 25.54 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.093 0 CA-C-O 120.849 0.357 . . . . 0.0 111.098 -178.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -59.02 -38.35 79.04 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.635 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -63.69 -47.28 81.8 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.377 -0.828 . . . . 0.0 111.9 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.57 ' HB3' ' H2 ' ' A' ' 22' ' ' IPH . 76.4 m -83.38 -16.03 47.58 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 -177.732 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.4 t -77.65 -6.92 55.5 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 120.909 0.385 . . . . 0.0 110.725 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.2 p -68.6 -63.63 1.02 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.706 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.497 ' O ' ' HB ' ' A' ' 10' ' ' ILE . 11.9 t -158.69 35.49 0.22 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.328 -179.606 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.497 ' HB ' ' O ' ' A' ' 9' ' ' SER . 2.4 mp 74.01 139.81 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.946 179.534 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 80.4 m -103.66 175.49 5.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.542 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.498 ' HB3' ' HG3' ' A' ' 15' ' ' GLN . 40.5 t -78.98 147.87 32.77 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 177.235 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.9 tt -60.24 -34.98 74.45 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.996 0.427 . . . . 0.0 110.653 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -64.79 -27.1 68.66 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.335 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.498 ' HG3' ' HB3' ' A' ' 12' ' ' SER . 22.4 mt-30 -77.53 -34.56 53.91 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.921 0.391 . . . . 0.0 110.628 179.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.508 ' HB3' HD23 ' B' ' 15' ' ' LEU . 79.9 mt -66.67 -31.95 72.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.234 179.7 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -58.73 -32.05 68.86 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.853 179.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 57.8 m-20 -73.52 -14.48 61.22 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.434 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -101.93 4.55 40.17 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.925 0.393 . . . . 0.0 110.751 -178.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 18.5 t -91.15 160.94 15.3 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.112 -179.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.446 ' C ' HH21 ' B' ' 22' ' ' ARG . 21.8 t-20 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.534 -0.746 . . . . 0.0 109.847 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 51.5 t80 . . . . . 0 N--CA 1.484 1.253 0 N-CA-C 111.165 0.061 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.427 HG13 ' SG ' ' J' ' 7' ' ' CYS . 20.2 m 49.17 -157.53 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 124.255 1.022 . . . . 0.0 112.565 -179.032 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -137.28 175.37 9.67 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.601 0.239 . . . . 0.0 110.778 -178.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . 0.77 ' HA ' ' HB3' ' B' ' 7' ' ' CYS . 6.1 tt0 -50.41 -30.26 12.06 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 124.084 0.954 . . . . 0.0 110.414 178.599 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 77.6 t60 -48.05 -44.83 31.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.046 179.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.48 HD21 ' H4 ' ' I' ' 22' ' ' IPH . 79.3 mt -94.94 -30.05 14.34 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 121.325 0.583 . . . . 0.0 110.504 179.583 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . 0.77 ' HB3' ' HA ' ' B' ' 4' ' ' GLN . 33.0 t -60.25 -38.83 84.7 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.097 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . 0.488 ' HA3' ' OH ' ' B' ' 26' ' ' TYR . . . -69.88 -19.46 75.25 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 121.097 -0.573 . . . . 0.0 113.775 -179.649 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . 1.034 ' HB2' ' HG2' ' D' ' 13' ' ' GLU . 10.1 p -65.85 -18.88 65.64 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 117.446 0.623 . . . . 0.0 110.534 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -104.59 -19.83 13.86 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.337 -179.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.494 ' CD2' ' H3 ' ' A' ' 22' ' ' IPH . 44.8 mt -72.59 -34.23 67.27 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 177.086 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.797 HG21 HG21 ' D' ' 12' ' ' VAL . 30.0 m -68.25 -29.9 45.95 Favored 'Isoleucine or valine' 0 C--O 1.232 0.142 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.487 178.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 1.091 ' HG2' ' HB2' ' D' ' 9' ' ' SER . 48.5 mt-10 -60.8 -32.76 72.11 Favored 'General case' 0 CA--C 1.522 -0.126 0 CA-C-O 121.428 0.632 . . . . 0.0 109.581 179.693 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.465 ' O ' HG23 ' B' ' 18' ' ' VAL . . . -84.42 -36.23 22.53 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.911 178.124 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.508 HD23 ' HB3' ' A' ' 16' ' ' LEU . 15.9 mt -57.41 -54.89 41.68 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.738 179.701 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . 0.805 ' CE2' ' HA ' ' B' ' 13' ' ' GLU . 1.7 p90 -65.33 -24.25 67.21 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 120.356 -0.537 . . . . 0.0 110.805 -179.147 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 2.6 tt -69.76 -39.22 76.83 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 109.711 -0.478 . . . . 0.0 109.711 -179.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.465 HG23 ' O ' ' B' ' 14' ' ' ALA . 58.9 t -69.17 -36.4 72.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 178.087 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . 0.808 ' HB3' ' HB2' ' B' ' 22' ' ' ARG . 84.1 m -69.77 -37.58 76.44 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.319 179.378 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.77 -87.18 1.24 Allowed Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.681 -0.771 . . . . 0.0 111.24 -179.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.519 ' HG2' ' HD2' ' D' ' 29' ' ' LYS . 17.6 tt0 -120.61 33.68 5.49 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.859 0.838 . . . . 0.0 109.401 178.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . 0.808 ' HB2' ' HB3' ' B' ' 19' ' ' CYS . 78.2 mtp180 -121.03 170.84 9.13 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.921 179.559 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -111.18 -175.97 20.3 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.752 -0.737 . . . . 0.0 111.822 179.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . 0.554 ' HE2' ' HB3' ' B' ' 16' ' ' TYR . 13.3 p90 -158.67 163.23 37.07 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.001 0.429 . . . . 0.0 110.739 179.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 13.7 m-30 -100.05 111.31 23.61 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 178.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.515 ' HB2' ' HE1' ' B' ' 24' ' ' PHE . 64.9 t80 -100.74 112.2 24.56 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.883 0.373 . . . . 0.0 111.454 -178.593 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 4.0 p -125.37 95.88 40.17 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.947 178.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -78.03 46.22 2.02 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 123.012 2.475 . . . . 0.0 112.51 -179.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.603 ' HD2' ' HG2' ' D' ' 21' ' ' GLU . 45.6 tttm -163.65 147.72 10.43 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.461 -0.791 . . . . 0.0 109.602 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 18.1 m . . . . . 0 C--O 1.253 1.275 0 CA-C-O 118.01 -0.995 . . . . 0.0 108.907 178.751 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.94 0 CA-C-O 119.97 -0.35 . . . . 0.0 112.442 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 2' ' ' ILE . . . . . 0.833 HG23 ' H ' ' C' ' 3' ' ' VAL . 8.8 tt 31.02 -88.9 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 125.239 1.416 . . . . 0.0 114.351 -179.732 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 3' ' ' VAL . . . . . 0.833 ' H ' HG23 ' C' ' 2' ' ' ILE . 4.1 t -56.61 -54.58 27.06 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.13 0 CA-C-O 121.049 0.452 . . . . 0.0 111.085 -178.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -59.56 -35.25 73.88 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.858 179.228 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 5' ' ' GLN . . . . . 0.403 ' HG2' ' SG ' ' C' ' 11' ' ' CYS . 23.7 tt0 -67.43 -47.04 71.37 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.644 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 6' ' ' CYS . . . . . 0.577 ' HB3' ' H2 ' ' C' ' 22' ' ' IPH . 73.1 m -83.53 -15.91 47.54 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 -177.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 7' ' ' CYS . . . . . 0.4 ' HB2' HD11 ' D' ' 11' ' ' LEU . 42.3 t -77.51 -6.49 53.78 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.014 0.435 . . . . 0.0 110.476 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 40.8 p -68.36 -65.47 0.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.263 179.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 9' ' ' SER . . . . . 0.488 ' O ' ' HB ' ' C' ' 10' ' ' ILE . 9.6 t -157.86 36.31 0.26 Allowed 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.234 -179.636 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . 0.488 ' HB ' ' O ' ' C' ' 9' ' ' SER . 2.3 mp 74.45 140.28 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.647 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.987 179.363 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 11' ' ' CYS . . . . . 0.403 ' SG ' ' HG2' ' C' ' 5' ' ' GLN . 75.7 m -103.62 176.59 5.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.376 179.667 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . 0.496 ' HB3' ' HG3' ' C' ' 15' ' ' GLN . 35.6 t -80.6 147.91 30.53 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 177.069 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 10.1 tt -59.95 -34.05 72.74 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.929 0.395 . . . . 0.0 110.607 -179.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -65.6 -26.78 67.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.314 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . 0.496 ' HG3' ' HB3' ' C' ' 12' ' ' SER . 22.5 mt-30 -77.73 -34.97 52.36 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.957 0.408 . . . . 0.0 110.675 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 16' ' ' LEU . . . . . 0.515 ' HB3' HD23 ' D' ' 15' ' ' LEU . 78.0 mt -66.25 -31.76 72.77 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.258 179.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 -58.64 -32.71 69.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.933 179.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 61.6 m-20 -73.05 -13.38 61.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.541 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 9.3 m-30 -102.94 3.61 36.57 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.054 0.454 . . . . 0.0 110.608 -178.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 18.3 t -90.65 158.06 17.13 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.076 -179.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 21' ' ' ASN . . . . . 0.452 ' C ' HH21 ' D' ' 22' ' ' ARG . 22.4 t-20 . . . . . 0 C--O 1.247 0.968 0 CA-C-O 118.617 -0.706 . . . . 0.0 109.942 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 51.2 t80 . . . . . 0 N--CA 1.484 1.24 0 CA-C-O 120.263 0.078 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 2' ' ' VAL . . . . . 0.417 HG13 ' SG ' ' H' ' 7' ' ' CYS . 21.9 m 48.38 -157.78 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 124.447 1.099 . . . . 0.0 112.6 -178.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 3' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -136.98 174.67 10.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 122.293 -0.254 . . . . 0.0 110.674 -178.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 4' ' ' GLN . . . . . 0.772 ' HA ' ' HB3' ' D' ' 7' ' ' CYS . 6.1 tt0 -50.58 -29.09 9.97 Favored 'General case' 0 C--N 1.333 -0.129 0 C-N-CA 124.09 0.956 . . . . 0.0 110.505 178.691 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 5' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -49.21 -43.95 42.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.241 -0.89 . . . . 0.0 111.128 178.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 6' ' ' LEU . . . . . 0.476 HD21 ' H4 ' ' G' ' 22' ' ' IPH . 78.1 mt -95.92 -29.72 14.02 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.44 0.638 . . . . 0.0 110.542 179.412 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 7' ' ' CYS . . . . . 0.772 ' HB3' ' HA ' ' D' ' 4' ' ' GLN . 30.6 t -60.29 -38.98 85.29 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.094 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 8' ' ' GLY . . . . . 0.487 ' HA3' ' OH ' ' D' ' 26' ' ' TYR . . . -69.56 -20.1 75.28 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 121.213 -0.518 . . . . 0.0 113.807 -179.61 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 9' ' ' SER . . . . . 1.091 ' HB2' ' HG2' ' B' ' 13' ' ' GLU . 10.4 p -65.44 -18.85 65.63 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 117.332 0.566 . . . . 0.0 110.648 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 10' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -104.51 -19.93 13.86 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.268 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 11' ' ' LEU . . . . . 0.506 ' CD2' ' H3 ' ' C' ' 22' ' ' IPH . 44.1 mt -72.46 -34.11 67.5 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 177.161 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . 0.797 HG21 HG21 ' B' ' 12' ' ' VAL . 26.7 m -68.25 -29.97 46.18 Favored 'Isoleucine or valine' 0 C--O 1.231 0.08 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.449 178.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 13' ' ' GLU . . . . . 1.034 ' HG2' ' HB2' ' B' ' 9' ' ' SER . 48.4 mt-10 -60.72 -32.79 72.03 Favored 'General case' 0 CA--C 1.522 -0.119 0 CA-C-O 121.369 0.604 . . . . 0.0 109.536 179.624 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 14' ' ' ALA . . . . . 0.446 ' O ' HG23 ' D' ' 18' ' ' VAL . . . -84.51 -35.75 22.68 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.886 178.153 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 15' ' ' LEU . . . . . 0.515 HD23 ' HB3' ' C' ' 16' ' ' LEU . 15.7 mt -58.06 -54.58 45.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.728 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 16' ' ' TYR . . . . . 0.784 ' CE2' ' HA ' ' D' ' 13' ' ' GLU . 1.8 p90 -65.4 -24.48 67.22 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.806 -179.113 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 tt -69.05 -41.33 77.77 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 -179.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . 0.446 HG23 ' O ' ' D' ' 14' ' ' ALA . 57.5 t -66.94 -37.31 79.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.589 0.709 . . . . 0.0 109.266 178.218 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 19' ' ' CYS . . . . . 0.791 ' HB3' ' HB2' ' D' ' 22' ' ' ARG . 85.9 m -69.01 -38.04 79.01 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.168 -0.924 . . . . 0.0 111.348 179.596 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.11 -88.69 1.28 Allowed Glycine 0 N--CA 1.449 -0.461 0 N-CA-C 111.108 -0.797 . . . . 0.0 111.108 -178.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 21' ' ' GLU . . . . . 0.603 ' HG2' ' HD2' ' B' ' 29' ' ' LYS . 18.5 tt0 -119.11 35.05 4.96 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.813 0.816 . . . . 0.0 109.379 178.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 22' ' ' ARG . . . . . 0.791 ' HB2' ' HB3' ' D' ' 19' ' ' CYS . 79.2 mtp180 -122.35 169.11 11.27 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.8 179.628 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 23' ' ' GLY . . . . . . . . . . . . . . . -109.88 -176.67 21.07 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 121.025 -0.607 . . . . 0.0 111.81 179.14 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 24' ' ' PHE . . . . . 0.558 ' HE2' ' HB3' ' D' ' 16' ' ' TYR . 12.6 p90 -158.51 162.87 37.49 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.06 0.457 . . . . 0.0 110.904 179.667 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 25' ' ' PHE . . . . . . . . . . . . . 13.4 m-30 -99.29 110.17 22.72 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 179.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 26' ' ' TYR . . . . . 0.517 ' HB2' ' HE1' ' D' ' 24' ' ' PHE . 66.3 t80 -99.76 112.99 25.19 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.875 0.369 . . . . 0.0 111.537 -178.784 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 27' ' ' THR . . . . . . . . . . . . . 3.4 p -126.18 95.23 39.46 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.015 179.244 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 28' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -77.9 48.0 2.51 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 123.118 2.545 . . . . 0.0 112.167 -179.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 29' ' ' LYS . . . . . 0.519 ' HD2' ' HG2' ' B' ' 21' ' ' GLU . 44.5 tttm -165.82 146.86 6.9 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.545 179.748 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 9.9 m . . . . . 0 C--O 1.253 1.266 0 CA-C-O 117.734 -1.126 . . . . 0.0 108.553 178.619 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.07 0 CA-C-O 119.716 -0.491 . . . . 0.0 112.348 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' E' E ' 2' ' ' ILE . . . . . 0.837 HG23 ' H ' ' E' ' 3' ' ' VAL . 8.6 tt 33.75 -89.88 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.746 0 C-N-CA 124.841 1.256 . . . . 0.0 114.157 -179.611 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 3' ' ' VAL . . . . . 0.837 ' H ' HG23 ' E' ' 2' ' ' ILE . 4.1 t -56.03 -54.74 23.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.804 0.335 . . . . 0.0 111.116 -178.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 4' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -58.7 -37.99 77.3 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.708 179.087 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -64.25 -48.58 75.24 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.818 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 6' ' ' CYS . . . . . 0.585 ' HB3' ' H2 ' ' E' ' 22' ' ' IPH . 73.2 m -82.08 -16.52 49.79 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 -177.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 7' ' ' CYS . . . . . . . . . . . . . 42.6 t -77.17 -7.08 55.24 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.687 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 47.1 p -67.96 -64.16 0.92 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.503 179.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 9' ' ' SER . . . . . 0.504 ' O ' ' HB ' ' E' ' 10' ' ' ILE . 10.8 t -158.81 35.85 0.22 Allowed 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.337 -179.683 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 10' ' ' ILE . . . . . 0.504 ' HB ' ' O ' ' E' ' 9' ' ' SER . 2.4 mp 74.61 139.89 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 CA-C-O 121.341 0.591 . . . . 0.0 111.956 179.445 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 11' ' ' CYS . . . . . . . . . . . . . 77.2 m -103.05 176.9 4.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.499 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 12' ' ' SER . . . . . 0.452 ' HB3' ' HG3' ' E' ' 15' ' ' GLN . 36.6 t -82.03 146.12 29.86 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 177.188 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 10.1 tt -57.84 -34.51 69.78 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.936 0.398 . . . . 0.0 110.774 -179.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -65.56 -25.89 67.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.454 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . 0.452 ' HG3' ' HB3' ' E' ' 12' ' ' SER . 22.8 mt-30 -78.74 -35.16 45.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.838 0.352 . . . . 0.0 110.456 179.761 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 16' ' ' LEU . . . . . 0.504 ' HB3' HD23 ' F' ' 15' ' ' LEU . 80.0 mt -65.86 -31.93 73.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.38 179.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 17' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -58.9 -32.3 69.41 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.86 179.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 18' ' ' ASN . . . . . . . . . . . . . 56.6 m-20 -73.42 -14.18 61.21 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.404 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 19' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -102.37 5.59 39.85 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.169 0.509 . . . . 0.0 110.673 -178.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 20' ' ' CYS . . . . . . . . . . . . . 17.9 t -91.94 160.53 15.22 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.895 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 21' ' ' ASN . . . . . 0.416 ' C ' HH21 ' F' ' 22' ' ' ARG . 22.7 t-20 . . . . . 0 C--O 1.244 0.776 0 CA-C-O 118.518 -0.753 . . . . 0.0 110.282 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 1' ' ' PHE . . . . . . . . . . . . . 50.0 t80 . . . . . 0 N--CA 1.483 1.208 0 CA-C-O 120.392 0.139 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' F' F ' 2' ' ' VAL . . . . . 0.418 HG13 ' SG ' ' B' ' 7' ' ' CYS . 22.7 m 49.24 -156.04 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 124.431 1.093 . . . . 0.0 112.637 -179.039 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 3' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -138.76 174.76 10.19 Favored 'General case' 0 C--N 1.322 -0.592 0 O-C-N 122.292 -0.255 . . . . 0.0 110.577 -177.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 4' ' ' GLN . . . . . 0.761 ' HA ' ' HB3' ' F' ' 7' ' ' CYS . 5.9 tt0 -50.52 -29.64 11.04 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 123.966 0.906 . . . . 0.0 110.449 178.614 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 5' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -48.79 -43.98 38.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.119 179.123 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 6' ' ' LEU . . . . . 0.503 HD21 ' H4 ' ' A' ' 22' ' ' IPH . 79.1 mt -95.9 -29.55 14.13 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.268 0.556 . . . . 0.0 110.525 179.588 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 7' ' ' CYS . . . . . 0.761 ' HB3' ' HA ' ' F' ' 4' ' ' GLN . 31.3 t -60.51 -38.81 85.56 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.092 179.751 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 8' ' ' GLY . . . . . 0.495 ' HA3' ' OH ' ' F' ' 26' ' ' TYR . . . -69.68 -19.94 75.32 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 121.229 -0.51 . . . . 0.0 113.805 -179.673 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 9' ' ' SER . . . . . 1.051 ' HB2' ' HG2' ' H' ' 13' ' ' GLU . 10.6 p -65.6 -19.1 65.78 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 117.486 0.643 . . . . 0.0 110.599 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 10' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -104.29 -20.05 13.89 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.376 -179.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 11' ' ' LEU . . . . . 0.493 ' CD2' ' H3 ' ' E' ' 22' ' ' IPH . 43.5 mt -72.56 -34.1 67.27 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 177.258 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 12' ' ' VAL . . . . . 0.796 HG21 HG21 ' H' ' 12' ' ' VAL . 26.7 m -68.28 -30.02 46.31 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.506 178.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 13' ' ' GLU . . . . . 1.042 ' HG2' ' HB2' ' H' ' 9' ' ' SER . 48.2 mt-10 -60.57 -32.81 71.88 Favored 'General case' 0 CA--C 1.521 -0.145 0 CA-C-O 121.466 0.65 . . . . 0.0 109.614 179.524 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 14' ' ' ALA . . . . . 0.45 ' O ' HG23 ' F' ' 18' ' ' VAL . . . -84.41 -35.8 22.86 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.946 178.144 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 15' ' ' LEU . . . . . 0.504 HD23 ' HB3' ' E' ' 16' ' ' LEU . 15.8 mt -58.04 -54.68 44.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.734 179.761 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 16' ' ' TYR . . . . . 0.794 ' CE2' ' HA ' ' F' ' 13' ' ' GLU . 1.8 p90 -65.43 -23.81 67.03 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.34 -0.544 . . . . 0.0 110.82 -179.124 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 2.4 tt -69.82 -41.12 75.4 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 -179.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . 0.45 HG23 ' O ' ' F' ' 14' ' ' ALA . 57.9 t -67.18 -36.71 77.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.562 0.696 . . . . 0.0 109.235 178.405 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 19' ' ' CYS . . . . . 0.787 ' HB3' ' HB2' ' F' ' 22' ' ' ARG . 84.7 m -69.89 -36.82 75.74 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.159 -0.928 . . . . 0.0 111.52 179.601 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.08 -88.8 1.18 Allowed Glycine 0 N--CA 1.448 -0.565 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -178.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 21' ' ' GLU . . . . . 0.575 ' HG2' ' HD2' ' H' ' 29' ' ' LYS . 18.4 tt0 -119.16 35.01 4.98 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.759 0.79 . . . . 0.0 109.283 179.152 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 22' ' ' ARG . . . . . 0.787 ' HB2' ' HB3' ' F' ' 19' ' ' CYS . 79.6 mtp180 -122.36 169.1 11.29 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.796 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 23' ' ' GLY . . . . . . . . . . . . . . . -109.7 -176.58 21.16 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.862 -0.685 . . . . 0.0 111.836 179.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 24' ' ' PHE . . . . . 0.558 ' HE2' ' HB3' ' F' ' 16' ' ' TYR . 12.5 p90 -158.83 162.44 37.0 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.047 0.451 . . . . 0.0 110.951 179.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 25' ' ' PHE . . . . . . . . . . . . . 13.3 m-30 -99.27 110.26 22.81 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 179.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 26' ' ' TYR . . . . . 0.503 ' HB2' ' HE1' ' F' ' 24' ' ' PHE . 65.3 t80 -100.08 112.58 24.88 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.846 0.355 . . . . 0.0 111.488 -178.667 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 27' ' ' THR . . . . . . . . . . . . . 6.3 p -125.46 95.79 40.12 Favored Pre-proline 0 C--N 1.321 -0.644 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.027 179.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 28' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -78.07 46.57 2.11 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.893 2.395 . . . . 0.0 112.433 -179.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 29' ' ' LYS . . . . . 0.573 ' HD2' ' HG2' ' H' ' 21' ' ' GLU . 44.9 tttm -164.45 147.14 8.88 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.501 179.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 30' ' ' THR . . . . . . . . . . . . . 13.7 m . . . . . 0 C--O 1.252 1.22 0 CA-C-O 118.031 -0.985 . . . . 0.0 108.838 178.914 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' G' G ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.08 0 CA-C-O 119.788 -0.451 . . . . 0.0 112.552 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' G' G ' 2' ' ' ILE . . . . . 0.839 HG23 ' H ' ' G' ' 3' ' ' VAL . 8.5 tt 31.06 -88.87 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.716 0 C-N-CA 125.072 1.349 . . . . 0.0 114.186 -179.688 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 3' ' ' VAL . . . . . 0.839 ' H ' HG23 ' G' ' 2' ' ' ILE . 4.0 t -56.7 -54.53 27.93 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.094 0 CA-C-O 120.884 0.373 . . . . 0.0 111.17 -178.746 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 4' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -58.91 -38.22 78.42 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.622 179.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 5' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -64.12 -47.86 78.34 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.829 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 6' ' ' CYS . . . . . 0.555 ' HB3' ' H2 ' ' G' ' 22' ' ' IPH . 72.5 m -83.05 -15.29 51.6 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 -177.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 7' ' ' CYS . . . . . . . . . . . . . 42.2 t -78.13 -7.17 56.69 Favored 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.482 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 8' ' ' THR . . . . . . . . . . . . . 42.3 p -67.93 -65.85 0.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.222 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 9' ' ' SER . . . . . 0.502 ' O ' ' HB ' ' G' ' 10' ' ' ILE . 10.3 t -157.0 36.6 0.3 Allowed 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.466 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 10' ' ' ILE . . . . . 0.502 ' HB ' ' O ' ' G' ' 9' ' ' SER . 2.3 mp 74.14 139.71 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 CA-C-N 115.907 -0.588 . . . . 0.0 112.077 179.382 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 11' ' ' CYS . . . . . . . . . . . . . 77.5 m -103.35 176.55 5.11 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.515 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 12' ' ' SER . . . . . 0.51 ' HB3' ' HG3' ' G' ' 15' ' ' GLN . 41.5 t -80.52 147.16 30.96 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 177.174 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 13' ' ' LEU . . . . . . . . . . . . . 9.8 tt -59.27 -34.51 72.34 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.043 0.449 . . . . 0.0 110.7 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -65.59 -26.38 67.82 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.44 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 15' ' ' GLN . . . . . 0.51 ' HG3' ' HB3' ' G' ' 12' ' ' SER . 22.5 mt-30 -78.09 -34.95 49.9 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.488 -0.323 . . . . 0.0 110.495 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 16' ' ' LEU . . . . . 0.497 ' HB3' HD23 ' H' ' 15' ' ' LEU . 79.1 mt -66.06 -32.13 73.41 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.062 0.458 . . . . 0.0 110.258 179.612 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 17' ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -59.22 -29.72 67.71 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.053 179.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 18' ' ' ASN . . . . . . . . . . . . . 62.7 m-20 -76.09 -12.24 60.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.896 0.379 . . . . 0.0 111.397 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 19' ' ' TYR . . . . . . . . . . . . . 9.6 m-30 -103.78 2.65 33.14 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.21 0.528 . . . . 0.0 110.589 -178.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 20' ' ' CYS . . . . . . . . . . . . . 17.0 t -89.1 159.75 17.38 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.078 -179.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 21' ' ' ASN . . . . . 0.422 ' C ' HH21 ' H' ' 22' ' ' ARG . 22.7 t-20 . . . . . 0 C--O 1.246 0.874 0 CA-C-O 118.4 -0.81 . . . . 0.0 110.072 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 1' ' ' PHE . . . . . . . . . . . . . 51.3 t80 . . . . . 0 N--CA 1.483 1.181 0 CA-C-O 120.135 0.016 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' H' H ' 2' ' ' VAL . . . . . 0.417 HG13 ' SG ' ' L' ' 7' ' ' CYS . 21.3 m 48.98 -157.1 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 C-N-CA 124.389 1.076 . . . . 0.0 112.578 -178.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 3' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -137.07 175.57 9.49 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.887 -177.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 4' ' ' GLN . . . . . 0.76 ' HA ' ' HB3' ' H' ' 7' ' ' CYS . 5.9 tt0 -51.81 -28.55 16.04 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 123.953 0.901 . . . . 0.0 110.378 178.6 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 5' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -49.25 -44.35 43.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.944 179.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 6' ' ' LEU . . . . . 0.489 HD21 ' H4 ' ' K' ' 22' ' ' IPH . 79.8 mt -95.47 -30.28 13.95 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.312 0.577 . . . . 0.0 110.48 179.601 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 7' ' ' CYS . . . . . 0.76 ' HB3' ' HA ' ' H' ' 4' ' ' GLN . 28.0 t -59.98 -38.87 83.83 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.076 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 8' ' ' GLY . . . . . 0.476 ' HA3' ' OH ' ' H' ' 26' ' ' TYR . . . -69.46 -19.99 75.01 Favored Glycine 0 N--CA 1.446 -0.648 0 CA-C-N 116.151 -0.477 . . . . 0.0 113.753 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 9' ' ' SER . . . . . 1.042 ' HB2' ' HG2' ' F' ' 13' ' ' GLU . 10.0 p -65.77 -18.79 65.58 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 117.424 0.612 . . . . 0.0 110.666 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 10' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -104.69 -19.67 13.88 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.309 -179.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 11' ' ' LEU . . . . . 0.509 ' CD2' ' H3 ' ' G' ' 22' ' ' IPH . 45.4 mt -72.66 -34.17 67.06 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 177.074 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 12' ' ' VAL . . . . . 0.796 HG21 HG21 ' F' ' 12' ' ' VAL . 26.8 m -68.24 -29.91 46.02 Favored 'Isoleucine or valine' 0 C--O 1.232 0.157 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.491 178.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 13' ' ' GLU . . . . . 1.051 ' HG2' ' HB2' ' F' ' 9' ' ' SER . 47.7 mt-10 -60.72 -32.69 71.94 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-O 121.534 0.683 . . . . 0.0 109.671 179.609 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 14' ' ' ALA . . . . . 0.45 ' O ' HG23 ' H' ' 18' ' ' VAL . . . -84.68 -35.31 22.66 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.994 178.081 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 15' ' ' LEU . . . . . 0.497 HD23 ' HB3' ' G' ' 16' ' ' LEU . 15.5 mt -58.16 -54.95 41.24 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.737 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 16' ' ' TYR . . . . . 0.805 ' CE2' ' HA ' ' H' ' 13' ' ' GLU . 1.8 p90 -65.14 -24.45 67.41 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 120.396 -0.521 . . . . 0.0 110.876 -179.235 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 2.6 tt -69.43 -40.76 77.05 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 -179.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . 0.45 HG23 ' O ' ' H' ' 14' ' ' ALA . 58.2 t -67.49 -37.85 79.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 178.151 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 19' ' ' CYS . . . . . 0.821 ' HB3' ' HB2' ' H' ' 22' ' ' ARG . 86.5 m -68.15 -38.18 81.86 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.486 179.296 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.46 -86.88 1.31 Allowed Glycine 0 N--CA 1.449 -0.438 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -179.16 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 21' ' ' GLU . . . . . 0.573 ' HG2' ' HD2' ' F' ' 29' ' ' LYS . 18.4 tt0 -121.2 34.34 5.24 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.78 0.8 . . . . 0.0 109.314 178.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 22' ' ' ARG . . . . . 0.821 ' HB2' ' HB3' ' H' ' 19' ' ' CYS . 79.6 mtp180 -121.84 169.12 11.08 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.047 -0.979 . . . . 0.0 109.711 179.75 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 23' ' ' GLY . . . . . . . . . . . . . . . -109.67 -176.61 21.18 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.822 -0.704 . . . . 0.0 111.597 179.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 24' ' ' PHE . . . . . 0.551 ' HE2' ' HB3' ' H' ' 16' ' ' TYR . 12.4 p90 -158.22 163.29 37.62 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.074 0.464 . . . . 0.0 110.906 179.68 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 25' ' ' PHE . . . . . . . . . . . . . 13.6 m-30 -99.75 111.05 23.41 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 26' ' ' TYR . . . . . 0.509 ' HB2' ' HE1' ' H' ' 24' ' ' PHE . 66.5 t80 -100.93 112.52 24.98 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.849 0.357 . . . . 0.0 111.51 -178.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 27' ' ' THR . . . . . . . . . . . . . 3.4 p -125.57 95.39 40.65 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.18 179.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 28' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -77.71 46.55 2.06 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.906 2.404 . . . . 0.0 112.526 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 29' ' ' LYS . . . . . 0.575 ' HD2' ' HG2' ' F' ' 21' ' ' GLU . 45.5 tttm -163.77 148.59 10.62 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.568 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 30' ' ' THR . . . . . 0.402 ' N ' ' HG2' ' H' ' 29' ' ' LYS . 13.7 m . . . . . 0 C--O 1.254 1.309 0 CA-C-O 118.081 -0.962 . . . . 0.0 109.124 178.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.477 0 CA-C-O 120.002 -0.332 . . . . 0.0 112.786 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' I' I ' 2' ' ' ILE . . . . . 0.884 HG23 ' H ' ' I' ' 3' ' ' VAL . 9.0 tt 31.29 -89.34 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 125.21 1.404 . . . . 0.0 114.266 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' I' I ' 3' ' ' VAL . . . . . 0.884 ' H ' HG23 ' I' ' 2' ' ' ILE . 4.0 t -55.84 -54.67 23.92 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 CA-C-O 120.817 0.341 . . . . 0.0 111.288 -178.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' I' I ' 4' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -58.77 -39.1 80.04 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.588 179.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 5' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -63.22 -48.06 79.88 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.914 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 6' ' ' CYS . . . . . 0.555 ' HB3' ' H2 ' ' I' ' 22' ' ' IPH . 73.5 m -82.67 -16.21 49.08 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 -177.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' I' I ' 7' ' ' CYS . . . . . 0.401 ' HB2' HD11 ' J' ' 11' ' ' LEU . 42.1 t -77.45 -6.51 53.72 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.527 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' I' I ' 8' ' ' THR . . . . . . . . . . . . . 41.1 p -68.66 -64.67 0.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.47 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 9' ' ' SER . . . . . 0.5 ' O ' ' HB ' ' I' ' 10' ' ' ILE . 13.6 t -157.86 36.17 0.26 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.187 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' I' I ' 10' ' ' ILE . . . . . 0.5 ' HB ' ' O ' ' I' ' 9' ' ' SER . 2.3 mp 74.43 141.36 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.761 179.485 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' I' I ' 11' ' ' CYS . . . . . . . . . . . . . 76.5 m -104.75 176.39 5.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.305 179.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 12' ' ' SER . . . . . 0.548 ' HB3' ' HG3' ' I' ' 15' ' ' GLN . 40.8 t -79.9 148.64 31.2 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 177.23 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' I' I ' 13' ' ' LEU . . . . . . . . . . . . . 10.0 tt -60.98 -34.68 75.16 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.033 0.444 . . . . 0.0 110.528 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -65.03 -26.36 68.23 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.309 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 15' ' ' GLN . . . . . 0.548 ' HG3' ' HB3' ' I' ' 12' ' ' SER . 22.5 mt-30 -77.93 -35.46 50.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.001 0.429 . . . . 0.0 110.578 179.686 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' I' I ' 16' ' ' LEU . . . . . 0.533 ' HB3' HD23 ' J' ' 15' ' ' LEU . 77.8 mt -65.83 -32.05 73.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.306 179.66 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' I' I ' 17' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -58.85 -31.34 68.43 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.986 179.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 18' ' ' ASN . . . . . . . . . . . . . 62.4 m-20 -74.19 -14.76 60.99 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.361 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 19' ' ' TYR . . . . . . . . . . . . . 8.9 m-30 -101.49 4.54 41.28 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.893 0.377 . . . . 0.0 110.831 -178.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 20' ' ' CYS . . . . . . . . . . . . . 17.9 t -91.53 159.15 16.07 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.021 -179.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 21' ' ' ASN . . . . . 0.426 ' C ' HH21 ' J' ' 22' ' ' ARG . 21.5 t-20 . . . . . 0 C--O 1.248 0.975 0 CA-C-O 118.446 -0.788 . . . . 0.0 109.963 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 1' ' ' PHE . . . . . . . . . . . . . 53.8 t80 . . . . . 0 N--CA 1.482 1.162 0 CA-C-O 120.243 0.068 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' J' J ' 2' ' ' VAL . . . . . 0.421 HG13 ' SG ' ' F' ' 7' ' ' CYS . 22.7 m 48.96 -156.01 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 124.295 1.038 . . . . 0.0 112.538 -178.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' J' J ' 3' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -138.0 175.58 9.46 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 122.368 -0.208 . . . . 0.0 110.761 -178.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 4' ' ' GLN . . . . . 0.749 ' HA ' ' HB3' ' J' ' 7' ' ' CYS . 5.9 tt0 -51.53 -28.9 15.01 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 123.962 0.905 . . . . 0.0 110.497 178.254 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' J' J ' 5' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -49.21 -44.18 43.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.033 179.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 6' ' ' LEU . . . . . 0.477 HD21 ' H4 ' ' E' ' 22' ' ' IPH . 79.4 mt -95.5 -30.05 14.06 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.379 0.609 . . . . 0.0 110.587 179.473 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' J' J ' 7' ' ' CYS . . . . . 0.749 ' HB3' ' HA ' ' J' ' 4' ' ' GLN . 33.8 t -60.13 -38.77 84.07 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.085 179.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' J' J ' 8' ' ' GLY . . . . . 0.496 ' HA3' ' OH ' ' J' ' 26' ' ' TYR . . . -69.7 -19.65 75.11 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 121.201 -0.523 . . . . 0.0 113.87 -179.622 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' J' J ' 9' ' ' SER . . . . . 1.096 ' HB2' ' HG2' ' L' ' 13' ' ' GLU . 10.6 p -65.95 -18.96 65.69 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 117.417 0.608 . . . . 0.0 110.643 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' J' J ' 10' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -104.44 -19.55 14.01 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.33 -179.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 11' ' ' LEU . . . . . 0.505 ' CD2' ' H3 ' ' I' ' 22' ' ' IPH . 45.2 mt -73.0 -33.88 66.05 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 177.126 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' J' J ' 12' ' ' VAL . . . . . 0.801 HG21 HG21 ' L' ' 12' ' ' VAL . 26.9 m -68.66 -29.99 45.67 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.411 178.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' J' J ' 13' ' ' GLU . . . . . 1.069 ' HG2' ' HB2' ' L' ' 9' ' ' SER . 48.9 mt-10 -60.67 -32.36 71.57 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-O 121.498 0.666 . . . . 0.0 109.616 179.561 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' J' J ' 14' ' ' ALA . . . . . 0.446 ' O ' HG23 ' J' ' 18' ' ' VAL . . . -84.83 -35.74 22.09 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.936 178.139 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' J' J ' 15' ' ' LEU . . . . . 0.533 HD23 ' HB3' ' I' ' 16' ' ' LEU . 15.7 mt -57.87 -54.77 43.15 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.769 179.716 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' J' J ' 16' ' ' TYR . . . . . 0.807 ' CE2' ' HA ' ' J' ' 13' ' ' GLU . 1.8 p90 -65.39 -24.42 67.22 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.321 -0.551 . . . . 0.0 110.809 -179.11 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 2.7 tt -69.16 -40.71 78.01 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 -179.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 18' ' ' VAL . . . . . 0.446 HG23 ' O ' ' J' ' 14' ' ' ALA . 58.5 t -67.43 -38.29 80.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 178.154 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' J' J ' 19' ' ' CYS . . . . . 0.807 ' HB3' ' HB2' ' J' ' 22' ' ' ARG . 85.3 m -68.16 -35.89 78.77 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.188 -0.914 . . . . 0.0 111.666 179.352 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' J' J ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.76 -87.46 1.05 Allowed Glycine 0 N--CA 1.45 -0.397 0 N-CA-C 111.307 -0.717 . . . . 0.0 111.307 -179.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 21' ' ' GLU . . . . . 0.574 ' HG2' ' HD2' ' L' ' 29' ' ' LYS . 18.1 tt0 -120.9 36.85 4.47 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.784 0.802 . . . . 0.0 109.363 179.087 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' J' J ' 22' ' ' ARG . . . . . 0.807 ' HB2' ' HB3' ' J' ' 19' ' ' CYS . 79.1 mtp180 -124.09 169.93 11.2 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.691 179.634 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' J' J ' 23' ' ' GLY . . . . . . . . . . . . . . . -110.46 -176.31 20.72 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.783 -0.722 . . . . 0.0 111.654 179.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 24' ' ' PHE . . . . . 0.546 ' HE2' ' HB3' ' J' ' 16' ' ' TYR . 12.4 p90 -158.52 163.14 37.35 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.098 0.475 . . . . 0.0 110.803 179.741 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' J' J ' 25' ' ' PHE . . . . . . . . . . . . . 13.8 m-30 -100.06 110.07 22.37 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 179.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 26' ' ' TYR . . . . . 0.509 ' HB2' ' HE1' ' J' ' 24' ' ' PHE . 66.6 t80 -99.93 112.54 24.81 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.907 0.384 . . . . 0.0 111.668 -178.671 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' J' J ' 27' ' ' THR . . . . . . . . . . . . . 4.9 p -125.37 95.41 41.11 Favored Pre-proline 0 C--N 1.32 -0.678 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.073 179.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 28' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -77.98 46.91 2.19 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.905 2.403 . . . . 0.0 112.299 -179.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 29' ' ' LYS . . . . . 0.531 ' HD2' ' HG2' ' L' ' 21' ' ' GLU . 45.0 tttm -164.95 146.11 7.64 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.829 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' J' J ' 30' ' ' THR . . . . . . . . . . . . . 9.9 m . . . . . 0 C--O 1.253 1.281 0 CA-C-O 117.986 -1.007 . . . . 0.0 108.959 178.963 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.191 0 CA-C-O 119.755 -0.469 . . . . 0.0 113.055 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' K' K ' 2' ' ' ILE . . . . . 0.838 HG23 ' H ' ' K' ' 3' ' ' VAL . 8.7 tt 33.26 -89.09 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 C-N-CA 124.994 1.318 . . . . 0.0 114.113 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' K' K ' 3' ' ' VAL . . . . . 0.838 ' H ' HG23 ' K' ' 2' ' ' ILE . 4.1 t -57.25 -54.27 32.73 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 CA-C-O 120.963 0.411 . . . . 0.0 110.927 -178.761 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' K' K ' 4' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -58.66 -39.38 80.47 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.331 0.586 . . . . 0.0 110.607 179.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' K' K ' 5' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -63.35 -48.27 78.65 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.239 -0.891 . . . . 0.0 111.957 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' K' K ' 6' ' ' CYS . . . . . 0.559 ' HB3' ' H2 ' ' K' ' 22' ' ' IPH . 72.8 m -82.49 -16.03 50.26 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 -177.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' K' K ' 7' ' ' CYS . . . . . . . . . . . . . 42.3 t -77.21 -7.35 55.74 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.563 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' K' K ' 8' ' ' THR . . . . . . . . . . . . . 45.4 p -68.04 -65.5 0.69 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.506 179.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' K' K ' 9' ' ' SER . . . . . 0.505 ' O ' ' HB ' ' K' ' 10' ' ' ILE . 10.6 t -156.81 36.16 0.3 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.202 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' K' K ' 10' ' ' ILE . . . . . 0.505 ' HB ' ' O ' ' K' ' 9' ' ' SER . 2.3 mp 73.98 140.02 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.823 179.573 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' K' K ' 11' ' ' CYS . . . . . . . . . . . . . 75.1 m -103.3 177.24 4.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.384 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' K' K ' 12' ' ' SER . . . . . 0.499 ' HB3' ' HG3' ' K' ' 15' ' ' GLN . 30.3 t -80.87 148.39 29.94 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 177.071 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' K' K ' 13' ' ' LEU . . . . . . . . . . . . . 9.8 tt -60.23 -34.35 73.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.007 0.432 . . . . 0.0 110.564 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -65.82 -26.42 67.67 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.412 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' K' K ' 15' ' ' GLN . . . . . 0.499 ' HG3' ' HB3' ' K' ' 12' ' ' SER . 22.3 mt-30 -77.81 -34.67 51.95 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.599 179.702 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' K' K ' 16' ' ' LEU . . . . . 0.495 ' HB3' HD23 ' L' ' 15' ' ' LEU . 80.3 mt -66.72 -31.15 71.62 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.469 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' K' K ' 17' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -59.81 -31.19 69.48 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.948 179.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' K' K ' 18' ' ' ASN . . . . . . . . . . . . . 60.2 m-20 -74.34 -13.95 60.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.475 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' K' K ' 19' ' ' TYR . . . . . . . . . . . . . 9.3 m-30 -102.4 4.51 38.97 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.13 0.491 . . . . 0.0 110.705 -178.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' K' K ' 20' ' ' CYS . . . . . . . . . . . . . 19.7 t -91.94 157.68 16.69 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.338 -179.099 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' K' K ' 21' ' ' ASN . . . . . 0.422 ' C ' HH21 ' L' ' 22' ' ' ARG . 23.2 t-20 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.435 -0.793 . . . . 0.0 109.615 179.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' L' L ' 1' ' ' PHE . . . . . . . . . . . . . 51.5 t80 . . . . . 0 N--CA 1.482 1.152 0 N-CA-C 111.38 0.141 . . . . 0.0 111.38 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' L' L ' 2' ' ' VAL . . . . . 0.412 HG13 ' SG ' ' D' ' 7' ' ' CYS . 20.4 m 48.81 -156.6 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 124.235 1.014 . . . . 0.0 112.618 -179.064 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' L' L ' 3' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -137.82 175.59 9.45 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.747 0.308 . . . . 0.0 110.674 -178.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' L' L ' 4' ' ' GLN . . . . . 0.738 ' HA ' ' HB3' ' L' ' 7' ' ' CYS . 6.0 tt0 -51.0 -29.72 13.17 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 123.999 0.92 . . . . 0.0 110.333 178.488 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' L' L ' 5' ' ' HIS . . . . . . . . . . . . . 77.8 t60 -48.58 -44.46 36.78 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 115.289 -0.868 . . . . 0.0 111.023 179.171 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' L' L ' 6' ' ' LEU . . . . . 0.474 HD21 ' H4 ' ' C' ' 22' ' ' IPH . 80.5 mt -95.5 -30.01 14.08 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.45 0.643 . . . . 0.0 110.619 179.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' L' L ' 7' ' ' CYS . . . . . 0.738 ' HB3' ' HA ' ' L' ' 4' ' ' GLN . 32.1 t -59.68 -39.59 85.03 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.171 179.566 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' L' L ' 8' ' ' GLY . . . . . 0.498 ' HA3' ' OH ' ' L' ' 26' ' ' TYR . . . -69.01 -19.6 73.9 Favored Glycine 0 N--CA 1.449 -0.473 0 CA-C-N 115.972 -0.558 . . . . 0.0 113.935 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' L' L ' 9' ' ' SER . . . . . 1.069 ' HB2' ' HG2' ' J' ' 13' ' ' GLU . 9.8 p -66.2 -18.81 65.58 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 117.348 0.574 . . . . 0.0 110.636 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' L' L ' 10' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -104.51 -19.94 13.86 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.367 -179.365 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' L' L ' 11' ' ' LEU . . . . . 0.494 ' CD2' ' H3 ' ' K' ' 22' ' ' IPH . 41.4 mt -72.64 -34.21 67.13 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 177.128 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' L' L ' 12' ' ' VAL . . . . . 0.801 HG21 HG21 ' J' ' 12' ' ' VAL . 28.1 m -68.1 -29.85 46.01 Favored 'Isoleucine or valine' 0 C--O 1.231 0.105 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.461 178.626 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' L' L ' 13' ' ' GLU . . . . . 1.096 ' HG2' ' HB2' ' J' ' 9' ' ' SER . 48.4 mt-10 -60.88 -32.62 72.06 Favored 'General case' 0 CA--C 1.522 -0.134 0 CA-C-O 121.363 0.602 . . . . 0.0 109.578 179.6 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' L' L ' 14' ' ' ALA . . . . . 0.441 ' O ' HG23 ' L' ' 18' ' ' VAL . . . -84.71 -35.66 22.37 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.474 -0.784 . . . . 0.0 109.966 178.039 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' L' L ' 15' ' ' LEU . . . . . 0.495 HD23 ' HB3' ' K' ' 16' ' ' LEU . 15.4 mt -57.76 -54.87 41.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.73 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' L' L ' 16' ' ' TYR . . . . . 0.806 ' CE2' ' HA ' ' L' ' 13' ' ' GLU . 1.7 p90 -65.54 -23.91 66.98 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.886 -178.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 2.7 tt -69.6 -40.51 76.61 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 -179.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' L' L ' 18' ' ' VAL . . . . . 0.441 HG23 ' O ' ' L' ' 14' ' ' ALA . 57.3 t -67.89 -37.42 78.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 178.239 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' L' L ' 19' ' ' CYS . . . . . 0.814 ' HB3' ' HB2' ' L' ' 22' ' ' ARG . 84.3 m -68.89 -36.56 78.2 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.388 179.329 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' L' L ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.88 -87.06 1.16 Allowed Glycine 0 N--CA 1.448 -0.513 0 N-CA-C 111.338 -0.705 . . . . 0.0 111.338 -179.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' L' L ' 21' ' ' GLU . . . . . 0.531 ' HG2' ' HD2' ' J' ' 29' ' ' LYS . 17.8 tt0 -120.94 35.89 4.75 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.706 0.765 . . . . 0.0 109.221 179.134 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' L' L ' 22' ' ' ARG . . . . . 0.814 ' HB2' ' HB3' ' L' ' 19' ' ' CYS . 79.4 mtp180 -123.56 169.68 11.19 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.036 -0.983 . . . . 0.0 109.743 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' L' L ' 23' ' ' GLY . . . . . . . . . . . . . . . -110.3 -177.02 20.89 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.767 -0.73 . . . . 0.0 111.721 179.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' L' L ' 24' ' ' PHE . . . . . 0.542 ' HE2' ' HB3' ' L' ' 16' ' ' TYR . 12.4 p90 -157.54 163.87 37.93 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.955 0.407 . . . . 0.0 110.783 179.654 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' L' L ' 25' ' ' PHE . . . . . . . . . . . . . 13.5 m-30 -100.4 110.55 22.75 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 179.105 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' L' L ' 26' ' ' TYR . . . . . 0.517 ' HB2' ' HE1' ' L' ' 24' ' ' PHE . 65.1 t80 -100.51 111.79 24.09 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.79 0.329 . . . . 0.0 111.664 -178.592 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' L' L ' 27' ' ' THR . . . . . . . . . . . . . 5.1 p -125.06 95.44 41.86 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.07 179.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' L' L ' 28' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -77.78 45.14 1.7 Allowed 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 123.002 2.468 . . . . 0.0 112.657 -179.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' L' L ' 29' ' ' LYS . . . . . 0.574 ' HD2' ' HG2' ' J' ' 21' ' ' GLU . 45.4 tttm -162.68 147.5 11.95 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.538 179.717 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' L' L ' 30' ' ' THR . . . . . . . . . . . . . 16.9 m . . . . . 0 C--O 1.251 1.142 0 CA-C-O 117.681 -1.152 . . . . 0.0 108.654 178.723 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' IPH . . . . . 0.57 ' H2 ' ' HB3' ' A' ' 6' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 22' ' ' IPH . . . . . 0.577 ' H2 ' ' HB3' ' C' ' 6' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 22' ' ' IPH . . . . . 0.585 ' H2 ' ' HB3' ' E' ' 6' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 22' ' ' IPH . . . . . 0.555 ' H2 ' ' HB3' ' G' ' 6' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 22' ' ' IPH . . . . . 0.555 ' H2 ' ' HB3' ' I' ' 6' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' K' K ' 22' ' ' IPH . . . . . 0.559 ' H2 ' ' HB3' ' K' ' 6' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.712 0 N-CA-C 111.753 -0.539 . . . . 0.0 111.753 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.718 HD11 HD11 ' B' ' 15' ' ' LEU . 5.5 tt -151.24 -39.8 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 120.89 0.376 . . . . 0.0 111.093 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.47 HG11 ' HG3' ' B' ' 4' ' ' GLN . 52.2 t -62.37 -72.48 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.324 -179.422 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 76.4 tt0 -60.06 -34.77 73.87 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.65 0.262 . . . . 0.0 110.831 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.599 ' NE2' HE21 ' A' ' 15' ' ' GLN . 35.6 tt0 -52.55 -42.99 64.92 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.96 179.735 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.713 ' HB3' ' H2 ' ' A' ' 22' ' ' IPH . 73.3 m -98.69 -29.04 13.25 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -179.292 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.789 ' HB2' HD11 ' B' ' 11' ' ' LEU . 49.4 t -81.76 44.93 0.85 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.607 0.718 . . . . 0.0 111.189 -179.716 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -133.47 -63.07 0.76 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.64 178.3 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.458 ' O ' ' HB ' ' A' ' 10' ' ' ILE . 7.8 t -144.24 25.56 1.54 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.252 -0.431 . . . . 0.0 109.996 179.227 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.552 HG21 ' CD2' ' F' ' 5' ' ' HIS . 2.0 mp 71.43 145.98 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.526 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.581 ' SG ' ' HG2' ' A' ' 5' ' ' GLN . 74.3 m -100.83 166.74 10.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.856 0.36 . . . . 0.0 110.475 179.702 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.9 t -72.84 158.15 36.09 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 178.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.1 tt -60.85 -56.36 22.11 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.472 -179.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -65.56 -16.87 64.11 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 111.42 0.155 . . . . 0.0 111.42 -179.186 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.599 HE21 ' NE2' ' A' ' 5' ' ' GLN . 36.2 tt0 -77.14 -24.18 51.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.827 0.346 . . . . 0.0 110.11 179.459 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.479 HD22 ' HG ' ' B' ' 15' ' ' LEU . 97.8 mt -80.34 -26.76 38.54 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 179.037 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.702 ' HA ' ' SG ' ' A' ' 20' ' ' CYS . 0.5 OUTLIER -62.85 -19.32 64.01 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.958 179.096 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -63.85 -16.33 61.08 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.493 179.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -114.81 2.08 14.28 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -178.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.702 ' SG ' ' HA ' ' A' ' 17' ' ' GLU . 81.1 m -74.18 139.34 44.39 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.749 0.309 . . . . 0.0 111.131 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.8 m120 . . . . . 0 C--O 1.241 0.625 0 CA-C-O 118.762 -0.637 . . . . 0.0 110.261 179.779 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 5.9 p90 . . . . . 0 N--CA 1.481 1.117 0 N-CA-C 109.697 -0.482 . . . . 0.0 109.697 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 16.9 m -117.71 176.2 2.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 C-N-CA 120.335 -0.546 . . . . 0.0 110.883 179.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . 0.517 ' H ' ' CD1' ' I' ' 10' ' ' ILE . 61.6 t30 -107.33 -179.15 3.84 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.913 -178.68 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . 0.684 ' HA ' ' HB3' ' B' ' 7' ' ' CYS . 0.2 OUTLIER -49.85 -29.8 8.72 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 123.805 0.842 . . . . 0.0 111.77 179.544 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . 0.601 ' NE2' ' HG ' ' D' ' 17' ' ' LEU . 42.2 t60 -57.36 -20.69 30.91 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.806 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.83 HD21 ' H4 ' ' I' ' 22' ' ' IPH . 31.1 mt -120.04 -21.83 6.92 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.397 0.618 . . . . 0.0 110.256 178.641 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . 0.684 ' HB3' ' HA ' ' B' ' 4' ' ' GLN . 34.6 t -73.18 -36.64 66.62 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.226 -179.735 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . 0.427 ' HA3' ' OH ' ' B' ' 26' ' ' TYR . . . -52.09 -49.94 47.59 Favored Glycine 0 C--O 1.228 -0.279 0 N-CA-C 114.583 0.593 . . . . 0.0 114.583 -179.21 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . 0.587 ' OG ' ' HB3' ' D' ' 13' ' ' GLU . 32.7 t -50.29 -44.57 53.97 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -178.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -70.51 -17.26 62.95 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.876 -0.602 . . . . 0.0 112.357 -178.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.789 HD11 ' HB2' ' A' ' 7' ' ' CYS . 12.2 mt -88.18 -34.81 17.69 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 107.207 -1.405 . . . . 0.0 107.207 176.311 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 1.063 HG11 HG11 ' D' ' 12' ' ' VAL . 51.6 t -66.17 -47.69 83.81 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 CA-C-N 114.421 -1.263 . . . . 0.0 112.188 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.578 ' HB3' ' OG ' ' D' ' 9' ' ' SER . 14.1 pt-20 -54.58 -40.43 68.79 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.709 0.29 . . . . 0.0 111.442 -178.69 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.27 -31.1 43.32 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.124 178.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.718 HD11 HD11 ' A' ' 2' ' ' ILE . 0.9 OUTLIER -58.25 -60.19 4.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.203 179.623 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . 0.789 ' HB2' ' HG3' ' D' ' 28' ' ' PRO . 6.3 p90 -69.79 -18.3 63.47 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 120.396 -0.521 . . . . 0.0 110.829 -179.332 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.607 ' HG ' ' NE2' ' D' ' 5' ' ' HIS . 4.7 tt -69.59 -38.26 77.24 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 178.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 71.7 t -70.76 -42.98 77.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.387 178.27 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . 0.425 ' HB3' ' HB2' ' B' ' 22' ' ' ARG . 84.2 m -62.3 -32.51 73.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.318 179.234 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.64 -102.35 0.88 Allowed Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 115.859 -0.609 . . . . 0.0 112.939 179.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -87.17 -1.55 57.98 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.189 0.518 . . . . 0.0 110.514 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . 0.425 ' HB2' ' HB3' ' B' ' 19' ' ' CYS . 66.7 mtt85 -101.52 156.38 17.51 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.264 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . 0.883 ' HA2' ' HD2' ' D' ' 28' ' ' PRO . . . -101.62 -159.44 26.82 Favored Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 120.598 -0.81 . . . . 0.0 112.052 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . 0.877 ' HZ ' HG13 ' B' ' 12' ' ' VAL . 6.0 p90 -172.22 -176.22 1.58 Allowed 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 9.1 p90 -125.17 150.76 46.63 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 178.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.427 ' OH ' ' HA3' ' B' ' 8' ' ' GLY . 71.4 t80 -145.52 119.52 9.38 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.632 -0.427 . . . . 0.0 111.304 -179.289 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . 0.715 HG22 ' HA3' ' D' ' 23' ' ' GLY . 6.9 p -124.09 99.33 37.74 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.768 178.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . 0.848 ' HD2' ' HA2' ' D' ' 23' ' ' GLY . 69.3 Cg_endo -74.48 55.34 3.63 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 123.169 2.579 . . . . 0.0 113.787 -178.475 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 4.8 ttpm? -124.57 -109.14 0.32 Allowed 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 178.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 62.5 m . . . . . 0 C--O 1.254 1.338 0 CA-C-O 117.528 -1.225 . . . . 0.0 108.135 178.907 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.67 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 2' ' ' ILE . . . . . 0.697 HD11 HD11 ' D' ' 15' ' ' LEU . 5.0 tt -152.49 -38.79 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 O-C-N 122.401 -0.47 . . . . 0.0 110.87 -179.69 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 3' ' ' VAL . . . . . 0.482 HG11 ' HG3' ' D' ' 4' ' ' GLN . 49.6 t -62.89 -73.4 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.156 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 74.9 tt0 -59.46 -34.89 73.09 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.631 0.253 . . . . 0.0 111.08 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 5' ' ' GLN . . . . . 0.592 ' HG2' ' SG ' ' C' ' 11' ' ' CYS . 35.8 tt0 -52.4 -42.68 64.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.972 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 6' ' ' CYS . . . . . 0.696 ' HB3' ' H2 ' ' C' ' 22' ' ' IPH . 74.5 m -99.03 -29.07 13.11 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -179.405 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 7' ' ' CYS . . . . . 0.805 ' HB2' HD11 ' D' ' 11' ' ' LEU . 49.8 t -81.68 45.31 0.88 Allowed 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.633 0.73 . . . . 0.0 111.14 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -133.78 -63.37 0.74 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.467 178.246 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 9' ' ' SER . . . . . 0.492 ' O ' ' HB ' ' C' ' 10' ' ' ILE . 8.6 t -143.47 23.45 1.8 Allowed 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.352 179.486 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . 0.544 HG21 ' CD2' ' L' ' 5' ' ' HIS . 1.9 mp 73.82 146.25 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.081 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 11' ' ' CYS . . . . . 0.592 ' SG ' ' HG2' ' C' ' 5' ' ' GLN . 73.0 m -101.3 167.17 10.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.886 0.374 . . . . 0.0 110.36 179.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 17.1 t -74.47 156.6 36.76 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 179.047 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 10.0 tt -58.52 -56.85 16.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.879 -179.013 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -65.88 -15.83 63.29 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.709 0.29 . . . . 0.0 111.499 -179.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . 0.566 HE21 ' NE2' ' C' ' 5' ' ' GLN . 36.4 tt0 -78.15 -23.84 47.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.96 0.41 . . . . 0.0 110.014 179.462 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 16' ' ' LEU . . . . . 0.467 HD22 ' HG ' ' D' ' 15' ' ' LEU . 97.6 mt -80.78 -26.53 37.16 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.111 0.481 . . . . 0.0 109.846 178.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 17' ' ' GLU . . . . . 0.692 ' HA ' ' SG ' ' C' ' 20' ' ' CYS . 0.9 OUTLIER -62.61 -20.1 64.41 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.907 179.049 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -63.05 -17.64 62.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.354 179.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -113.09 1.24 15.24 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -177.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 20' ' ' CYS . . . . . 0.692 ' SG ' ' HA ' ' C' ' 17' ' ' GLU . 84.9 m -73.18 141.69 47.39 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.75 0.31 . . . . 0.0 111.153 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 3.1 m120 . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.873 -0.584 . . . . 0.0 109.579 179.576 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 6.3 p90 . . . . . 0 N--CA 1.481 1.101 0 N-CA-C 109.549 -0.538 . . . . 0.0 109.549 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 2' ' ' VAL . . . . . . . . . . . . . 17.0 m -117.66 175.16 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 C-N-CA 120.462 -0.495 . . . . 0.0 110.88 179.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 3' ' ' ASN . . . . . 0.49 ' H ' ' CD1' ' G' ' 10' ' ' ILE . 62.4 t30 -106.17 -178.45 3.65 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.246 -178.524 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 4' ' ' GLN . . . . . 0.689 ' HA ' ' HB3' ' D' ' 7' ' ' CYS . 0.3 OUTLIER -50.86 -29.3 11.49 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 123.844 0.858 . . . . 0.0 111.596 179.515 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 5' ' ' HIS . . . . . 0.607 ' NE2' ' HG ' ' B' ' 17' ' ' LEU . 42.9 t60 -57.73 -20.53 35.18 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.948 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 6' ' ' LEU . . . . . 0.838 HD21 ' H4 ' ' G' ' 22' ' ' IPH . 31.2 mt -120.5 -20.82 7.02 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.338 0.59 . . . . 0.0 110.231 178.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 7' ' ' CYS . . . . . 0.689 ' HB3' ' HA ' ' D' ' 4' ' ' GLN . 29.8 t -73.97 -36.6 64.59 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.161 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 8' ' ' GLY . . . . . 0.425 ' HA3' ' OH ' ' D' ' 26' ' ' TYR . . . -52.16 -50.29 46.57 Favored Glycine 0 C--O 1.227 -0.282 0 CA-C-N 116.003 -0.544 . . . . 0.0 114.413 -179.381 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 9' ' ' SER . . . . . 0.578 ' OG ' ' HB3' ' B' ' 13' ' ' GLU . 28.9 t -50.05 -44.63 51.69 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -178.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 10' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -70.48 -17.65 62.97 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.409 -178.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 11' ' ' LEU . . . . . 0.805 HD11 ' HB2' ' C' ' 7' ' ' CYS . 11.3 mt -87.56 -35.06 18.34 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 176.203 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . 1.063 HG11 HG11 ' B' ' 12' ' ' VAL . 50.5 t -66.0 -47.03 86.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 114.439 -1.255 . . . . 0.0 112.247 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 13' ' ' GLU . . . . . 0.587 ' HB3' ' OG ' ' B' ' 9' ' ' SER . 15.9 pt-20 -55.29 -39.78 70.3 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.552 0.215 . . . . 0.0 111.36 -178.662 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.83 -31.12 40.58 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.978 0.418 . . . . 0.0 110.014 178.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 15' ' ' LEU . . . . . 0.697 HD11 HD11 ' C' ' 2' ' ' ILE . 0.9 OUTLIER -57.99 -60.15 4.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.315 179.746 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 16' ' ' TYR . . . . . 0.802 ' HB2' ' HG3' ' B' ' 28' ' ' PRO . 5.8 p90 -70.03 -17.86 63.28 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.469 -0.492 . . . . 0.0 110.906 -179.434 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . 0.601 ' HG ' ' NE2' ' B' ' 5' ' ' HIS . 4.8 tt -70.01 -38.14 75.87 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 178.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 72.4 t -70.98 -42.88 77.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.377 178.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 19' ' ' CYS . . . . . 0.437 ' HB3' ' HB2' ' D' ' 22' ' ' ARG . 83.3 m -62.32 -32.48 73.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.22 179.2 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.12 -102.08 0.88 Allowed Glycine 0 C--N 1.333 0.397 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.891 179.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -87.71 -2.51 58.66 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.324 0.583 . . . . 0.0 110.459 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 22' ' ' ARG . . . . . 0.437 ' HB2' ' HB3' ' D' ' 19' ' ' CYS . 68.2 mtt85 -100.11 157.09 16.81 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.267 179.699 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 23' ' ' GLY . . . . . 0.848 ' HA2' ' HD2' ' B' ' 28' ' ' PRO . . . -102.66 -159.74 25.79 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.665 -0.779 . . . . 0.0 111.994 179.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 24' ' ' PHE . . . . . 0.859 ' HZ ' HG13 ' D' ' 12' ' ' VAL . 6.0 p90 -171.68 -175.36 1.55 Allowed 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 25' ' ' PHE . . . . . . . . . . . . . 9.1 p90 -126.22 150.41 48.39 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 178.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 26' ' ' TYR . . . . . 0.425 ' OH ' ' HA3' ' D' ' 8' ' ' GLY . 72.6 t80 -145.28 119.1 9.25 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.985 0.422 . . . . 0.0 111.489 -179.256 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 27' ' ' THR . . . . . 0.751 HG22 ' HA3' ' B' ' 23' ' ' GLY . 5.5 p -123.61 99.47 39.1 Favored Pre-proline 0 C--N 1.321 -0.67 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.783 179.043 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 28' ' ' PRO . . . . . 0.883 ' HD2' ' HA2' ' B' ' 23' ' ' GLY . 66.4 Cg_endo -74.26 54.88 3.39 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 123.137 2.558 . . . . 0.0 113.842 -178.412 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 29' ' ' LYS . . . . . 0.407 ' HB3' ' H ' ' D' ' 30' ' ' THR . 4.7 ttpm? -124.14 -109.35 0.32 Allowed 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 178.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 30' ' ' THR . . . . . 0.407 ' H ' ' HB3' ' D' ' 29' ' ' LYS . 90.3 m . . . . . 0 C--O 1.25 1.126 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 179.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.695 0 N-CA-C 112.146 -0.381 . . . . 0.0 112.146 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' E' E ' 2' ' ' ILE . . . . . 0.71 HD11 HD11 ' F' ' 15' ' ' LEU . 5.9 tt -152.75 -39.56 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-O 120.81 0.338 . . . . 0.0 111.085 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 3' ' ' VAL . . . . . 0.459 HG11 ' HG3' ' F' ' 4' ' ' GLN . 53.8 t -63.2 -71.83 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.695 -179.322 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 4' ' ' GLU . . . . . . . . . . . . . 77.1 tt0 -60.99 -35.57 77.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.579 0.228 . . . . 0.0 110.723 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 5' ' ' GLN . . . . . 0.576 ' HG2' ' SG ' ' E' ' 11' ' ' CYS . 34.9 tt0 -51.31 -41.91 60.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.122 179.536 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 6' ' ' CYS . . . . . 0.688 ' HB3' ' H2 ' ' E' ' 22' ' ' IPH . 73.0 m -99.85 -29.08 12.8 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.92 -179.329 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 7' ' ' CYS . . . . . 0.816 ' HB2' HD11 ' F' ' 11' ' ' LEU . 47.7 t -82.14 46.31 1.01 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.738 0.78 . . . . 0.0 111.05 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -134.77 -62.62 0.73 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.479 178.398 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 9' ' ' SER . . . . . 0.485 ' O ' ' HB ' ' E' ' 10' ' ' ILE . 8.7 t -144.35 23.4 1.64 Allowed 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.047 179.506 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 10' ' ' ILE . . . . . 0.537 HG21 ' CD2' ' J' ' 5' ' ' HIS . 1.9 mp 73.55 146.53 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.654 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.144 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 11' ' ' CYS . . . . . 0.576 ' SG ' ' HG2' ' E' ' 5' ' ' GLN . 70.8 m -100.83 168.86 9.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.718 0.294 . . . . 0.0 110.488 179.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 12' ' ' SER . . . . . . . . . . . . . 21.3 t -76.17 156.81 33.37 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 178.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 10.1 tt -58.74 -56.73 18.46 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.638 -178.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -66.19 -14.53 62.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.661 0.267 . . . . 0.0 111.589 -179.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . 0.574 HE21 ' NE2' ' E' ' 5' ' ' GLN . 37.1 tt0 -79.13 -24.12 43.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.986 0.422 . . . . 0.0 109.976 179.32 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 16' ' ' LEU . . . . . 0.487 HD22 ' HG ' ' F' ' 15' ' ' LEU . 97.7 mt -80.53 -26.53 38.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.001 178.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 17' ' ' GLU . . . . . 0.698 ' HA ' ' SG ' ' E' ' 20' ' ' CYS . 0.9 OUTLIER -63.41 -18.52 63.8 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.9 179.043 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' E' E ' 18' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -64.25 -16.87 62.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.285 178.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 19' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -113.74 0.69 14.61 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -178.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 20' ' ' CYS . . . . . 0.698 ' SG ' ' HA ' ' E' ' 17' ' ' GLU . 79.7 m -71.91 143.04 49.48 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.904 0.383 . . . . 0.0 111.185 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 21' ' ' ASN . . . . . . . . . . . . . 2.9 m120 . . . . . 0 C--O 1.246 0.919 0 CA-C-O 118.907 -0.568 . . . . 0.0 109.872 179.565 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' F' F ' 1' ' ' PHE . . . . . . . . . . . . . 5.8 p90 . . . . . 0 N--CA 1.482 1.157 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' F' F ' 2' ' ' VAL . . . . . . . . . . . . . 17.5 m -118.48 175.93 3.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 C-N-CA 120.342 -0.543 . . . . 0.0 110.838 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 3' ' ' ASN . . . . . 0.506 ' H ' ' CD1' ' A' ' 10' ' ' ILE . 61.5 t30 -106.92 -179.22 3.87 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.165 -178.543 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 4' ' ' GLN . . . . . 0.668 ' HA ' ' HB3' ' F' ' 7' ' ' CYS . 0.3 OUTLIER -50.02 -29.68 9.16 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 123.755 0.822 . . . . 0.0 111.712 179.427 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' F' F ' 5' ' ' HIS . . . . . 0.606 ' NE2' ' HG ' ' H' ' 17' ' ' LEU . 44.6 t60 -57.5 -20.8 33.61 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.867 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 6' ' ' LEU . . . . . 0.861 HD21 ' H4 ' ' A' ' 22' ' ' IPH . 30.4 mt -119.85 -21.3 7.24 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.276 0.56 . . . . 0.0 110.311 178.69 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 7' ' ' CYS . . . . . 0.668 ' HB3' ' HA ' ' F' ' 4' ' ' GLN . 32.5 t -73.6 -36.57 65.53 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.108 -179.68 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 8' ' ' GLY . . . . . 0.435 ' HA3' ' OH ' ' F' ' 26' ' ' TYR . . . -51.99 -50.56 44.41 Favored Glycine 0 N--CA 1.452 -0.265 0 CA-C-N 115.92 -0.582 . . . . 0.0 114.413 -179.152 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 9' ' ' SER . . . . . 0.577 ' OG ' ' HB3' ' H' ' 13' ' ' GLU . 29.5 t -49.99 -44.45 50.99 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.416 0.524 . . . . 0.0 112.416 -179.052 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 10' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -70.54 -17.46 62.94 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.266 -178.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 11' ' ' LEU . . . . . 0.816 HD11 ' HB2' ' E' ' 7' ' ' CYS . 11.4 mt -88.11 -34.09 18.03 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 176.283 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 12' ' ' VAL . . . . . 1.088 HG11 HG11 ' H' ' 12' ' ' VAL . 50.7 t -66.61 -47.56 83.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 114.421 -1.263 . . . . 0.0 112.319 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 13' ' ' GLU . . . . . 0.587 ' HB3' ' OG ' ' H' ' 9' ' ' SER . 13.9 pt-20 -54.57 -40.65 68.97 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.607 0.242 . . . . 0.0 111.384 -178.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.27 -30.91 43.26 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.954 0.407 . . . . 0.0 110.226 178.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 15' ' ' LEU . . . . . 0.71 HD11 HD11 ' E' ' 2' ' ' ILE . 0.9 OUTLIER -58.37 -60.09 4.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.143 179.638 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' F' F ' 16' ' ' TYR . . . . . 0.814 ' HB2' ' HG3' ' H' ' 28' ' ' PRO . 5.9 p90 -69.73 -18.59 63.53 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.766 -179.448 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 17' ' ' LEU . . . . . 0.614 ' HG ' ' NE2' ' H' ' 5' ' ' HIS . 4.8 tt -69.2 -38.62 78.69 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 178.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 72.8 t -70.86 -42.38 77.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.55 178.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 19' ' ' CYS . . . . . 0.434 ' HB3' ' HB2' ' F' ' 22' ' ' ARG . 79.1 m -62.43 -33.6 75.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.076 179.108 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.98 -102.93 1.05 Allowed Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.923 -0.58 . . . . 0.0 112.685 179.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 21' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -86.2 -4.64 59.21 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.203 0.525 . . . . 0.0 110.408 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 22' ' ' ARG . . . . . 0.434 ' HB2' ' HB3' ' F' ' 19' ' ' CYS . 67.7 mtt85 -97.63 157.12 16.21 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.539 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 23' ' ' GLY . . . . . 0.858 ' HA2' ' HD2' ' H' ' 28' ' ' PRO . . . -102.94 -160.08 25.53 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.78 -0.724 . . . . 0.0 111.834 179.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 24' ' ' PHE . . . . . 0.855 ' HZ ' HG13 ' F' ' 12' ' ' VAL . 6.1 p90 -171.75 -176.08 1.68 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 25' ' ' PHE . . . . . . . . . . . . . 9.3 p90 -125.28 151.31 46.13 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 178.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 26' ' ' TYR . . . . . 0.435 ' OH ' ' HA3' ' F' ' 8' ' ' GLY . 72.7 t80 -146.06 119.1 8.79 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.623 -0.431 . . . . 0.0 111.37 -179.28 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 27' ' ' THR . . . . . 0.733 HG22 ' HA3' ' H' ' 23' ' ' GLY . 7.6 p -123.28 99.38 40.27 Favored Pre-proline 0 C--N 1.319 -0.727 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.816 178.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 28' ' ' PRO . . . . . 0.889 ' HD2' ' HA2' ' H' ' 23' ' ' GLY . 74.2 Cg_endo -74.59 56.13 3.92 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 123.081 2.521 . . . . 0.0 113.948 -178.529 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 29' ' ' LYS . . . . . . . . . . . . . 4.9 ttpm? -125.31 -108.7 0.32 Allowed 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 178.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 30' ' ' THR . . . . . . . . . . . . . 59.8 m . . . . . 0 C--O 1.252 1.217 0 CA-C-O 117.465 -1.255 . . . . 0.0 107.668 178.812 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' G' G ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.921 0 N-CA-C 111.728 -0.549 . . . . 0.0 111.728 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' G' G ' 2' ' ' ILE . . . . . 0.741 HD11 HD11 ' H' ' 15' ' ' LEU . 6.0 tt -149.09 -40.05 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 120.895 0.379 . . . . 0.0 111.061 -179.709 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 3' ' ' VAL . . . . . 0.458 HG11 ' HG3' ' H' ' 4' ' ' GLN . 53.3 t -62.24 -71.97 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.579 -179.303 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 4' ' ' GLU . . . . . . . . . . . . . 72.2 tt0 -61.2 -33.93 74.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.716 0.293 . . . . 0.0 110.839 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 5' ' ' GLN . . . . . 0.604 ' HG2' ' SG ' ' G' ' 11' ' ' CYS . 35.0 tt0 -53.01 -42.28 65.48 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.105 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 6' ' ' CYS . . . . . 0.703 ' HB3' ' H2 ' ' G' ' 22' ' ' IPH . 74.1 m -99.56 -28.97 12.97 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 -179.275 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 7' ' ' CYS . . . . . 0.797 ' HB2' HD11 ' H' ' 11' ' ' LEU . 47.3 t -81.54 45.3 0.86 Allowed 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 121.501 0.667 . . . . 0.0 111.197 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -134.07 -63.03 0.74 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.473 178.383 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 9' ' ' SER . . . . . 0.47 ' O ' ' HB ' ' G' ' 10' ' ' ILE . 8.3 t -143.66 24.76 1.69 Allowed 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.046 179.388 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 10' ' ' ILE . . . . . 0.539 HG21 ' CD2' ' D' ' 5' ' ' HIS . 1.9 mp 71.89 145.05 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.23 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 11' ' ' CYS . . . . . 0.604 ' SG ' ' HG2' ' G' ' 5' ' ' GLN . 74.1 m -100.28 166.97 10.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.767 0.317 . . . . 0.0 110.33 179.548 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 12' ' ' SER . . . . . . . . . . . . . 13.3 t -74.09 156.65 37.2 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 179.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 13' ' ' LEU . . . . . . . . . . . . . 10.1 tt -58.95 -56.79 17.77 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.735 -178.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -66.06 -14.7 62.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.591 0.234 . . . . 0.0 111.514 -179.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 15' ' ' GLN . . . . . 0.547 HE21 ' NE2' ' G' ' 5' ' ' GLN . 35.9 tt0 -79.36 -23.97 43.01 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 179.477 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 16' ' ' LEU . . . . . 0.493 HD22 ' HG ' ' H' ' 15' ' ' LEU . 97.6 mt -80.3 -27.24 38.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.075 0.465 . . . . 0.0 109.908 178.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 17' ' ' GLU . . . . . 0.703 ' HA ' ' SG ' ' G' ' 20' ' ' CYS . 0.8 OUTLIER -62.45 -19.46 63.53 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.044 179.155 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' G' G ' 18' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -62.77 -19.64 64.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.251 178.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 19' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -111.45 1.46 16.98 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 -177.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 20' ' ' CYS . . . . . 0.703 ' SG ' ' HA ' ' G' ' 17' ' ' GLU . 84.2 m -73.7 140.5 46.08 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.934 0.397 . . . . 0.0 111.315 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 21' ' ' ASN . . . . . . . . . . . . . 3.0 m120 . . . . . 0 C--O 1.249 1.031 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.893 179.721 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' H' H ' 1' ' ' PHE . . . . . . . . . . . . . 6.1 p90 . . . . . 0 N--CA 1.483 1.182 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' H' H ' 2' ' ' VAL . . . . . 0.414 ' HB ' HD11 ' K' ' 10' ' ' ILE . 16.7 m -117.78 175.9 3.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 C-N-CA 120.2 -0.6 . . . . 0.0 110.947 179.549 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 3' ' ' ASN . . . . . 0.518 ' H ' ' CD1' ' K' ' 10' ' ' ILE . 59.6 t30 -106.79 -179.53 3.97 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.985 -178.633 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 4' ' ' GLN . . . . . 0.658 ' HA ' ' HB3' ' H' ' 7' ' ' CYS . 0.2 OUTLIER -49.55 -29.83 7.58 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 123.818 0.847 . . . . 0.0 111.733 179.348 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' H' H ' 5' ' ' HIS . . . . . 0.614 ' NE2' ' HG ' ' F' ' 17' ' ' LEU . 43.8 t60 -57.4 -20.37 29.39 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.89 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 6' ' ' LEU . . . . . 0.826 HD21 ' H4 ' ' K' ' 22' ' ' IPH . 29.6 mt -120.78 -21.01 6.79 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.268 0.556 . . . . 0.0 110.17 178.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 7' ' ' CYS . . . . . 0.658 ' HB3' ' HA ' ' H' ' 4' ' ' GLN . 29.7 t -73.88 -36.53 64.81 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.101 -179.697 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 8' ' ' GLY . . . . . 0.429 ' HA3' ' OH ' ' H' ' 26' ' ' TYR . . . -52.15 -50.16 47.04 Favored Glycine 0 C--O 1.228 -0.245 0 N-CA-C 114.59 0.596 . . . . 0.0 114.59 -179.114 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 9' ' ' SER . . . . . 0.587 ' OG ' ' HB3' ' F' ' 13' ' ' GLU . 29.2 t -50.2 -44.34 53.01 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -178.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 10' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -70.67 -17.59 62.84 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.964 -0.562 . . . . 0.0 112.209 -178.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 11' ' ' LEU . . . . . 0.797 HD11 ' HB2' ' G' ' 7' ' ' CYS . 11.9 mt -87.8 -34.76 18.16 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 107.237 -1.394 . . . . 0.0 107.237 176.305 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 12' ' ' VAL . . . . . 1.088 HG11 HG11 ' F' ' 12' ' ' VAL . 50.7 t -66.34 -47.43 84.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 114.359 -1.292 . . . . 0.0 112.24 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 13' ' ' GLU . . . . . 0.577 ' HB3' ' OG ' ' F' ' 9' ' ' SER . 13.7 pt-20 -54.53 -40.57 68.78 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.585 0.231 . . . . 0.0 111.349 -178.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 14' ' ' ALA . . . . . 0.403 ' O ' HG23 ' H' ' 18' ' ' VAL . . . -79.31 -31.07 43.11 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.908 0.385 . . . . 0.0 110.055 178.591 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 15' ' ' LEU . . . . . 0.741 HD11 HD11 ' G' ' 2' ' ' ILE . 0.9 OUTLIER -58.17 -60.19 4.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.186 179.882 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' H' H ' 16' ' ' TYR . . . . . 0.761 ' HB2' ' HG3' ' F' ' 28' ' ' PRO . 5.7 p90 -69.77 -18.3 63.48 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 120.353 -0.539 . . . . 0.0 110.91 -179.443 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 17' ' ' LEU . . . . . 0.606 ' HG ' ' NE2' ' F' ' 5' ' ' HIS . 4.7 tt -69.41 -38.82 78.1 Favored 'General case' 0 C--O 1.23 0.069 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 178.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . 0.403 HG23 ' O ' ' H' ' 14' ' ' ALA . 69.3 t -70.37 -42.65 78.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.539 178.182 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 19' ' ' CYS . . . . . 0.427 ' HB3' ' HB2' ' H' ' 22' ' ' ARG . 85.7 m -62.38 -32.76 73.62 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.209 179.199 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.37 -101.26 0.81 Allowed Glycine 0 N--CA 1.449 -0.438 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.948 178.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 21' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -88.88 -0.71 57.62 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.114 0.483 . . . . 0.0 110.372 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 22' ' ' ARG . . . . . 0.427 ' HB2' ' HB3' ' H' ' 19' ' ' CYS . 69.5 mtt85 -102.19 156.07 17.8 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.091 179.735 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 23' ' ' GLY . . . . . 0.889 ' HA2' ' HD2' ' F' ' 28' ' ' PRO . . . -101.26 -159.6 27.2 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.091 179.537 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 24' ' ' PHE . . . . . 0.862 ' HZ ' HG13 ' H' ' 12' ' ' VAL . 5.8 p90 -172.25 -176.18 1.56 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 25' ' ' PHE . . . . . . . . . . . . . 9.0 p90 -125.08 151.43 45.67 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 178.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 26' ' ' TYR . . . . . 0.429 ' OH ' ' HA3' ' H' ' 8' ' ' GLY . 71.6 t80 -146.29 118.96 8.57 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.445 -179.261 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 27' ' ' THR . . . . . 0.721 HG22 ' HA3' ' F' ' 23' ' ' GLY . 6.8 p -123.63 99.42 39.09 Favored Pre-proline 0 C--N 1.318 -0.78 0 CA-C-N 116.187 -0.461 . . . . 0.0 109.856 178.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 28' ' ' PRO . . . . . 0.858 ' HD2' ' HA2' ' F' ' 23' ' ' GLY . 65.5 Cg_endo -74.26 55.29 3.5 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 123.185 2.59 . . . . 0.0 113.731 -178.322 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 29' ' ' LYS . . . . . . . . . . . . . 4.6 ttpm? -124.78 -109.87 0.32 Allowed 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 178.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 30' ' ' THR . . . . . . . . . . . . . 60.6 m . . . . . 0 C--O 1.251 1.165 0 CA-C-O 117.631 -1.176 . . . . 0.0 108.009 179.176 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' I' I ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.89 0 N-CA-C 112.227 -0.349 . . . . 0.0 112.227 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' I' I ' 2' ' ' ILE . . . . . 0.722 HD11 HD11 ' J' ' 15' ' ' LEU . 5.5 tt -151.13 -39.53 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-O 120.947 0.403 . . . . 0.0 110.978 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' I' I ' 3' ' ' VAL . . . . . 0.471 HG11 ' HG3' ' J' ' 4' ' ' GLN . 51.9 t -63.04 -71.83 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.449 -179.448 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' I' I ' 4' ' ' GLU . . . . . . . . . . . . . 72.1 tt0 -60.65 -34.8 74.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.718 0.294 . . . . 0.0 110.72 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 5' ' ' GLN . . . . . 0.601 ' HG2' ' SG ' ' I' ' 11' ' ' CYS . 34.9 tt0 -52.86 -41.79 64.62 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.255 179.586 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' I' I ' 6' ' ' CYS . . . . . 0.698 ' HB3' ' H2 ' ' I' ' 22' ' ' IPH . 73.7 m -100.03 -29.17 12.69 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 -179.399 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' I' I ' 7' ' ' CYS . . . . . 0.812 ' HB2' HD11 ' J' ' 11' ' ' LEU . 49.0 t -81.48 45.43 0.87 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.725 0.774 . . . . 0.0 111.168 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' I' I ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -134.08 -61.49 0.79 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.879 178.428 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' I' I ' 9' ' ' SER . . . . . 0.464 ' O ' ' HB ' ' I' ' 10' ' ' ILE . 8.6 t -146.01 25.03 1.3 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.843 179.471 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' I' I ' 10' ' ' ILE . . . . . 0.517 ' CD1' ' H ' ' B' ' 3' ' ' ASN . 2.0 mp 71.28 143.88 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.551 179.716 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' I' I ' 11' ' ' CYS . . . . . 0.601 ' SG ' ' HG2' ' I' ' 5' ' ' GLN . 71.7 m -96.8 171.61 8.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.867 0.365 . . . . 0.0 110.717 179.473 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' I' I ' 12' ' ' SER . . . . . . . . . . . . . 23.2 t -78.66 158.16 28.46 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 178.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 13' ' ' LEU . . . . . . . . . . . . . 10.1 tt -59.91 -56.76 17.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.43 -179.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -65.54 -16.17 63.42 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.653 0.242 . . . . 0.0 111.653 -179.159 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 15' ' ' GLN . . . . . 0.571 HE21 ' NE2' ' I' ' 5' ' ' GLN . 36.5 tt0 -77.67 -24.27 49.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.904 0.383 . . . . 0.0 110.01 179.341 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' I' I ' 16' ' ' LEU . . . . . 0.476 HD22 ' HG ' ' J' ' 15' ' ' LEU . 97.8 mt -80.35 -26.65 38.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.226 0.536 . . . . 0.0 110.02 178.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' I' I ' 17' ' ' GLU . . . . . 0.678 ' HA ' ' SG ' ' I' ' 20' ' ' CYS . 0.8 OUTLIER -63.11 -18.98 64.0 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.024 179.23 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' I' I ' 18' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -64.63 -15.1 60.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.411 179.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 19' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -115.69 1.12 13.43 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 -178.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 20' ' ' CYS . . . . . 0.678 ' SG ' ' HA ' ' I' ' 17' ' ' GLU . 81.1 m -73.42 140.08 46.29 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.865 0.364 . . . . 0.0 111.163 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' I' I ' 21' ' ' ASN . . . . . . . . . . . . . 2.8 m120 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.747 -0.644 . . . . 0.0 109.85 179.803 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' J' J ' 1' ' ' PHE . . . . . . . . . . . . . 6.2 p90 . . . . . 0 N--CA 1.483 1.186 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' J' J ' 2' ' ' VAL . . . . . . . . . . . . . 16.4 m -116.9 176.57 2.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 C-N-CA 120.174 -0.611 . . . . 0.0 111.08 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' J' J ' 3' ' ' ASN . . . . . 0.489 ' H ' ' CD1' ' E' ' 10' ' ' ILE . 61.8 t30 -107.5 -179.67 3.98 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.964 -178.628 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' J' J ' 4' ' ' GLN . . . . . 0.674 ' HA ' ' HB3' ' J' ' 7' ' ' CYS . 0.2 OUTLIER -49.65 -29.04 6.62 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.874 0.869 . . . . 0.0 111.695 179.259 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' J' J ' 5' ' ' HIS . . . . . 0.621 ' NE2' ' HG ' ' L' ' 17' ' ' LEU . 46.7 t60 -58.31 -20.45 43.09 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.797 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' J' J ' 6' ' ' LEU . . . . . 0.829 HD21 ' H4 ' ' E' ' 22' ' ' IPH . 29.9 mt -120.1 -21.35 7.07 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.31 0.576 . . . . 0.0 110.29 178.644 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' J' J ' 7' ' ' CYS . . . . . 0.674 ' HB3' ' HA ' ' J' ' 4' ' ' GLN . 31.8 t -73.51 -36.45 65.74 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.252 -179.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' J' J ' 8' ' ' GLY . . . . . 0.433 ' HA3' ' OH ' ' J' ' 26' ' ' TYR . . . -52.24 -50.45 46.39 Favored Glycine 0 N--CA 1.451 -0.329 0 CA-C-N 115.94 -0.573 . . . . 0.0 114.478 -179.084 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' J' J ' 9' ' ' SER . . . . . 0.574 ' CB ' ' HB3' ' L' ' 13' ' ' GLU . 30.0 t -49.77 -44.48 48.83 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -179.12 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' J' J ' 10' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -70.76 -17.5 62.79 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.055 -0.521 . . . . 0.0 112.266 -178.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' J' J ' 11' ' ' LEU . . . . . 0.812 HD11 ' HB2' ' I' ' 7' ' ' CYS . 11.8 mt -87.71 -34.75 18.28 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 107.222 -1.399 . . . . 0.0 107.222 176.393 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' J' J ' 12' ' ' VAL . . . . . 1.04 HG11 HG11 ' L' ' 12' ' ' VAL . 51.1 t -66.43 -47.24 84.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 CA-C-N 114.404 -1.271 . . . . 0.0 112.181 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' J' J ' 13' ' ' GLU . . . . . 0.601 ' HB3' ' OG ' ' L' ' 9' ' ' SER . 16.0 pt-20 -54.83 -40.03 69.15 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.587 0.232 . . . . 0.0 111.417 -178.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' J' J ' 14' ' ' ALA . . . . . . . . . . . . . . . -80.0 -30.96 39.73 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.922 0.392 . . . . 0.0 110.143 178.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' J' J ' 15' ' ' LEU . . . . . 0.722 HD11 HD11 ' I' ' 2' ' ' ILE . 0.9 OUTLIER -57.94 -60.19 4.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.296 179.673 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' J' J ' 16' ' ' TYR . . . . . 0.786 ' HB2' ' HG3' ' L' ' 28' ' ' PRO . 6.2 p90 -69.67 -18.61 63.58 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.836 -179.471 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' J' J ' 17' ' ' LEU . . . . . 0.621 ' HG ' ' NE2' ' L' ' 5' ' ' HIS . 4.6 tt -69.15 -39.31 78.9 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 178.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 69.4 t -69.68 -43.11 80.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.603 178.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' J' J ' 19' ' ' CYS . . . . . 0.455 ' HB3' ' HB2' ' J' ' 22' ' ' ARG . 85.9 m -61.72 -34.56 76.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.026 179.172 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' J' J ' 20' ' ' GLY . . . . . . . . . . . . . . . 70.82 -101.32 0.92 Allowed Glycine 0 C--N 1.332 0.324 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.885 179.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' J' J ' 21' ' ' GLU . . . . . . . . . . . . . 58.1 mm-40 -88.44 -2.49 58.63 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.222 0.534 . . . . 0.0 110.254 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' J' J ' 22' ' ' ARG . . . . . 0.455 ' HB2' ' HB3' ' J' ' 19' ' ' CYS . 66.5 mtt85 -99.73 157.15 16.69 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.15 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' J' J ' 23' ' ' GLY . . . . . 0.876 ' HA2' ' HD2' ' L' ' 28' ' ' PRO . . . -102.94 -159.34 25.47 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.557 -0.83 . . . . 0.0 111.889 179.504 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' J' J ' 24' ' ' PHE . . . . . 0.878 ' HZ ' HG13 ' J' ' 12' ' ' VAL . 5.9 p90 -172.2 -175.62 1.46 Allowed 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' J' J ' 25' ' ' PHE . . . . . . . . . . . . . 9.3 p90 -125.75 151.2 47.01 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 178.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' J' J ' 26' ' ' TYR . . . . . 0.433 ' OH ' ' HA3' ' J' ' 8' ' ' GLY . 72.1 t80 -146.12 119.06 8.72 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.669 -0.413 . . . . 0.0 111.375 -179.309 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' J' J ' 27' ' ' THR . . . . . 0.727 HG22 ' HA3' ' L' ' 23' ' ' GLY . 7.3 p -123.6 99.45 39.16 Favored Pre-proline 0 C--N 1.32 -0.695 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 178.715 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' J' J ' 28' ' ' PRO . . . . . 0.869 ' HD2' ' HA2' ' L' ' 23' ' ' GLY . 64.9 Cg_endo -74.11 54.56 3.23 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 123.179 2.586 . . . . 0.0 113.768 -178.327 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' J' J ' 29' ' ' LYS . . . . . . . . . . . . . 4.7 ttpm? -123.68 -110.23 0.32 Allowed 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 178.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' J' J ' 30' ' ' THR . . . . . . . . . . . . . 91.0 m . . . . . 0 C--O 1.254 1.315 0 CA-C-O 117.654 -1.165 . . . . 0.0 107.957 178.972 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.668 0 N-CA-C 111.767 -0.533 . . . . 0.0 111.767 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' K' K ' 2' ' ' ILE . . . . . 0.695 HD11 HD11 ' L' ' 15' ' ' LEU . 5.3 tt -152.72 -39.29 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 120.842 0.353 . . . . 0.0 110.987 179.64 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' K' K ' 3' ' ' VAL . . . . . 0.464 HG11 ' HG3' ' L' ' 4' ' ' GLN . 53.5 t -62.96 -71.81 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.356 -179.373 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' K' K ' 4' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -60.85 -35.05 75.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.704 0.288 . . . . 0.0 110.783 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' K' K ' 5' ' ' GLN . . . . . 0.601 ' HG2' ' SG ' ' K' ' 11' ' ' CYS . 35.2 tt0 -51.63 -42.78 62.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.143 179.452 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' K' K ' 6' ' ' CYS . . . . . 0.697 ' HB3' ' H2 ' ' K' ' 22' ' ' IPH . 73.6 m -99.4 -28.59 13.2 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -179.133 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' K' K ' 7' ' ' CYS . . . . . 0.805 ' HB2' HD11 ' L' ' 11' ' ' LEU . 49.8 t -82.06 45.38 0.92 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.537 0.684 . . . . 0.0 111.133 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' K' K ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -134.12 -62.65 0.75 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.605 178.314 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' K' K ' 9' ' ' SER . . . . . 0.463 ' O ' ' HB ' ' K' ' 10' ' ' ILE . 10.7 t -144.08 24.5 1.63 Allowed 'General case' 0 C--O 1.238 0.485 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 179.437 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' K' K ' 10' ' ' ILE . . . . . 0.542 HG21 ' CD2' ' H' ' 5' ' ' HIS . 2.0 mp 71.63 143.99 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.489 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' K' K ' 11' ' ' CYS . . . . . 0.601 ' SG ' ' HG2' ' K' ' 5' ' ' GLN . 75.5 m -98.41 167.2 10.98 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 120.901 0.382 . . . . 0.0 110.82 179.499 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' K' K ' 12' ' ' SER . . . . . . . . . . . . . 17.2 t -74.0 156.97 36.99 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 178.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' K' K ' 13' ' ' LEU . . . . . . . . . . . . . 10.0 tt -59.52 -56.69 18.83 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.682 -178.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -65.56 -16.01 63.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.563 0.22 . . . . 0.0 111.357 -179.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' K' K ' 15' ' ' GLN . . . . . 0.568 HE21 ' NE2' ' K' ' 5' ' ' GLN . 35.5 tt0 -78.18 -23.71 47.5 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-O 120.977 0.418 . . . . 0.0 110.25 179.466 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' K' K ' 16' ' ' LEU . . . . . 0.467 HD22 ' HG ' ' L' ' 15' ' ' LEU . 97.0 mt -80.28 -26.82 38.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.991 178.673 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' K' K ' 17' ' ' GLU . . . . . 0.69 ' HA ' ' SG ' ' K' ' 20' ' ' CYS . 0.7 OUTLIER -63.33 -18.67 63.88 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.007 179.264 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' K' K ' 18' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -64.08 -18.07 64.03 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.164 179.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' K' K ' 19' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -112.6 1.17 15.68 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -178.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' K' K ' 20' ' ' CYS . . . . . 0.69 ' SG ' ' HA ' ' K' ' 17' ' ' GLU . 81.6 m -73.13 140.07 46.84 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.949 0.404 . . . . 0.0 111.37 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' K' K ' 21' ' ' ASN . . . . . . . . . . . . . 2.8 m120 . . . . . 0 C--O 1.246 0.884 0 CA-C-O 118.517 -0.754 . . . . 0.0 110.226 179.659 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' L' L ' 1' ' ' PHE . . . . . . . . . . . . . 6.2 p90 . . . . . 0 N--CA 1.482 1.153 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' L' L ' 2' ' ' VAL . . . . . 0.4 ' HB ' HD11 ' C' ' 10' ' ' ILE . 16.4 m -118.21 175.41 3.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 C-N-CA 120.38 -0.528 . . . . 0.0 110.889 179.627 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' L' L ' 3' ' ' ASN . . . . . 0.503 ' H ' ' CD1' ' C' ' 10' ' ' ILE . 60.8 t30 -106.56 -179.72 4.02 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.094 -178.514 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' L' L ' 4' ' ' GLN . . . . . 0.68 ' HA ' ' HB3' ' L' ' 7' ' ' CYS . 0.2 OUTLIER -49.63 -29.32 7.03 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 123.717 0.807 . . . . 0.0 111.827 179.344 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' L' L ' 5' ' ' HIS . . . . . 0.621 ' NE2' ' HG ' ' J' ' 17' ' ' LEU . 47.0 t60 -57.81 -20.62 37.11 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.793 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' L' L ' 6' ' ' LEU . . . . . 0.822 HD21 ' H4 ' ' C' ' 22' ' ' IPH . 30.4 mt -120.23 -21.67 6.87 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.28 0.562 . . . . 0.0 110.203 178.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' L' L ' 7' ' ' CYS . . . . . 0.68 ' HB3' ' HA ' ' L' ' 4' ' ' GLN . 28.2 t -73.26 -36.3 66.35 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.103 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' L' L ' 8' ' ' GLY . . . . . 0.422 ' HA3' ' OH ' ' L' ' 26' ' ' TYR . . . -52.31 -50.34 47.28 Favored Glycine 0 C--O 1.227 -0.292 0 CA-C-N 116.018 -0.537 . . . . 0.0 114.424 -179.116 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' L' L ' 9' ' ' SER . . . . . 0.601 ' OG ' ' HB3' ' J' ' 13' ' ' GLU . 31.6 t -49.85 -44.56 49.72 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.175 0.512 . . . . 0.0 112.309 -179.113 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' L' L ' 10' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -70.73 -17.14 62.81 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.293 -178.243 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' L' L ' 11' ' ' LEU . . . . . 0.805 HD11 ' HB2' ' K' ' 7' ' ' CYS . 12.4 mt -87.91 -35.16 17.86 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 107.156 -1.424 . . . . 0.0 107.156 176.258 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' L' L ' 12' ' ' VAL . . . . . 1.04 HG11 HG11 ' J' ' 12' ' ' VAL . 52.2 t -66.03 -47.44 85.05 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-N 114.49 -1.232 . . . . 0.0 112.19 -179.705 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' L' L ' 13' ' ' GLU . . . . . 0.574 ' HB3' ' CB ' ' J' ' 9' ' ' SER . 14.3 pt-20 -54.42 -40.9 68.73 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.621 0.248 . . . . 0.0 111.369 -178.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' L' L ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.07 -31.04 44.27 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.854 0.359 . . . . 0.0 110.213 178.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' L' L ' 15' ' ' LEU . . . . . 0.695 HD11 HD11 ' K' ' 2' ' ' ILE . 0.9 OUTLIER -58.07 -60.16 4.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.241 179.534 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' L' L ' 16' ' ' TYR . . . . . 0.783 ' HB2' ' HG3' ' J' ' 28' ' ' PRO . 6.1 p90 -69.92 -18.23 63.37 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.416 -0.514 . . . . 0.0 110.888 -179.308 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' L' L ' 17' ' ' LEU . . . . . 0.621 ' HG ' ' NE2' ' J' ' 5' ' ' HIS . 4.8 tt -69.43 -38.54 77.89 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 178.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 72.2 t -70.69 -43.26 77.56 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 CA-C-N 115.734 -0.667 . . . . 0.0 109.395 178.192 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' L' L ' 19' ' ' CYS . . . . . 0.417 ' HB3' ' HB2' ' L' ' 22' ' ' ARG . 84.1 m -61.98 -31.53 71.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.314 179.062 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' L' L ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.86 -101.67 0.75 Allowed Glycine 0 N--CA 1.451 -0.36 0 CA-C-N 115.987 -0.551 . . . . 0.0 113.27 179.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' L' L ' 21' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -87.07 -5.08 59.17 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.172 0.511 . . . . 0.0 110.324 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' L' L ' 22' ' ' ARG . . . . . 0.417 ' HB2' ' HB3' ' L' ' 19' ' ' CYS . 67.3 mtt85 -97.7 158.17 15.65 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.449 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' L' L ' 23' ' ' GLY . . . . . 0.869 ' HA2' ' HD2' ' J' ' 28' ' ' PRO . . . -103.92 -159.86 24.57 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.833 -0.699 . . . . 0.0 111.931 179.631 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' L' L ' 24' ' ' PHE . . . . . 0.877 ' HZ ' HG13 ' L' ' 12' ' ' VAL . 6.0 p90 -171.74 -175.55 1.57 Allowed 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' L' L ' 25' ' ' PHE . . . . . . . . . . . . . 9.4 p90 -125.75 150.51 47.68 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 178.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' L' L ' 26' ' ' TYR . . . . . 0.422 ' OH ' ' HA3' ' L' ' 8' ' ' GLY . 72.2 t80 -145.21 119.69 9.68 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.7 -0.4 . . . . 0.0 111.248 -179.336 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' L' L ' 27' ' ' THR . . . . . 0.741 HG22 ' HA3' ' J' ' 23' ' ' GLY . 6.6 p -124.11 99.28 37.74 Favored Pre-proline 0 C--N 1.321 -0.674 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.847 178.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' L' L ' 28' ' ' PRO . . . . . 0.876 ' HD2' ' HA2' ' J' ' 23' ' ' GLY . 65.2 Cg_endo -74.42 55.63 3.68 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 123.215 2.61 . . . . 0.0 113.794 -178.525 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' L' L ' 29' ' ' LYS . . . . . . . . . . . . . 4.7 ttpm? -124.61 -108.27 0.33 Allowed 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 178.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' L' L ' 30' ' ' THR . . . . . . . . . . . . . 82.9 m . . . . . 0 C--O 1.25 1.111 0 CA-C-O 117.46 -1.257 . . . . 0.0 107.675 179.036 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' IPH . . . . . 0.861 ' H4 ' HD21 ' F' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 22' ' ' IPH . . . . . 0.822 ' H4 ' HD21 ' L' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 22' ' ' IPH . . . . . 0.829 ' H4 ' HD21 ' J' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 22' ' ' IPH . . . . . 0.838 ' H4 ' HD21 ' D' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 22' ' ' IPH . . . . . 0.83 ' H4 ' HD21 ' B' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' K' K ' 22' ' ' IPH . . . . . 0.826 ' H4 ' HD21 ' H' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.352 0 N-CA-C 112.191 -0.364 . . . . 0.0 112.191 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.7 tt -164.6 -38.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 120.999 0.428 . . . . 0.0 110.615 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.417 ' CG1' ' HG3' ' B' ' 4' ' ' GLN . 97.7 t -65.7 -48.22 83.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.404 0.621 . . . . 0.0 110.609 179.563 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.521 ' H ' ' CD ' ' A' ' 4' ' ' GLU . 0.4 OUTLIER -68.22 -18.77 64.66 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.453 -179.713 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.491 ' HG2' ' SG ' ' A' ' 11' ' ' CYS . 36.4 tt0 -98.69 -39.98 8.4 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 -177.574 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 84.2 m -104.21 -35.53 7.98 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 114.226 1.195 . . . . 0.0 114.226 -177.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.637 ' HB2' HD11 ' B' ' 11' ' ' LEU . 52.1 t -73.3 -13.15 61.07 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 121.827 -0.546 . . . . 0.0 111.094 -178.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.15 -61.08 1.92 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.123 179.472 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.465 ' O ' ' HB ' ' A' ' 10' ' ' ILE . 70.7 m -151.1 31.57 0.61 Allowed 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.477 HG12 ' HB3' ' F' ' 5' ' ' HIS . 1.7 mp 72.63 145.23 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 178.709 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.491 ' SG ' ' HG2' ' A' ' 5' ' ' GLN . 95.8 m -104.85 171.97 7.04 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.596 179.3 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.7 m -81.06 168.01 19.12 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.698 0.285 . . . . 0.0 110.447 178.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.441 ' HG ' ' CG1' ' B' ' 18' ' ' VAL . 10.1 tt -57.39 -54.08 50.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.941 -178.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -69.49 -17.62 63.62 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -178.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -70.7 -36.91 73.51 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 178.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.438 ' HB3' HD23 ' B' ' 15' ' ' LEU . 89.8 mt -71.98 -31.45 66.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.545 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -62.36 -22.03 65.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.295 -179.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -70.54 -10.33 58.96 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.535 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -104.41 3.6 32.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.655 0.264 . . . . 0.0 110.852 -179.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 68.4 m -67.99 161.06 27.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.248 0.547 . . . . 0.0 112.1 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.9 m120 . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.096 -0.954 . . . . 0.0 109.771 179.2 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 54.9 t80 . . . . . 0 N--CA 1.483 1.193 0 N-CA-C 111.207 0.077 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 28.2 m 46.54 -147.28 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 124.072 0.949 . . . . 0.0 112.613 -179.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -159.85 -172.46 3.66 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -178.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . 0.818 ' HA ' ' HB3' ' B' ' 7' ' ' CYS . 0.1 OUTLIER -56.55 -25.38 51.93 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 122.671 0.389 . . . . 0.0 110.199 179.285 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . 0.506 ' NE2' ' HG ' ' D' ' 17' ' ' LEU . 35.0 t60 -58.63 -18.31 29.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.263 179.372 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.804 HD21 ' H4 ' ' I' ' 22' ' ' IPH . 35.8 mt -127.13 -8.0 5.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.278 0.561 . . . . 0.0 110.288 178.482 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . 0.818 ' HB3' ' HA ' ' B' ' 4' ' ' GLN . 5.4 t -89.76 -43.97 10.31 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.854 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . 0.549 ' HA2' HD12 ' B' ' 11' ' ' LEU . . . -62.67 -27.7 70.3 Favored Glycine 0 N--CA 1.45 -0.389 0 CA-C-N 116.149 -0.478 . . . . 0.0 113.302 -179.472 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . 0.864 ' HB2' ' HG2' ' D' ' 13' ' ' GLU . 38.8 p -62.03 -24.7 67.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.935 0.398 . . . . 0.0 111.313 -179.353 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . 0.469 ' HA ' ' HG3' ' B' ' 13' ' ' GLU . 98.4 m-70 -99.23 -17.51 18.08 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.879 0.371 . . . . 0.0 111.193 -179.122 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.699 HD23 ' H5 ' ' A' ' 22' ' ' IPH . 52.9 mt -71.09 -40.32 71.61 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 177.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.581 ' HA ' HD12 ' B' ' 15' ' ' LEU . 3.1 m -68.59 -27.26 35.62 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-N 115.039 -0.982 . . . . 0.0 111.904 179.578 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.868 ' HG2' ' HB2' ' D' ' 9' ' ' SER . 39.8 mt-10 -59.98 -46.88 88.01 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-O 121.458 0.647 . . . . 0.0 109.774 179.425 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.35 -26.59 52.15 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.375 179.071 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.581 HD12 ' HA ' ' B' ' 12' ' ' VAL . 12.8 mt -55.28 -57.43 11.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.977 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . 1.032 ' HB3' ' HE2' ' B' ' 24' ' ' PHE . 18.5 p90 -74.34 -27.21 60.58 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 119.89 -0.724 . . . . 0.0 111.393 -179.091 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.55 HD11 ' H3 ' ' G' ' 22' ' ' IPH . 7.2 tt -67.1 -51.4 54.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.169 179.745 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.441 ' CG1' ' HG ' ' A' ' 13' ' ' LEU . 77.7 t -70.7 -35.95 62.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.141 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 37.9 t -66.25 -23.21 66.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.82 0.343 . . . . 0.0 111.24 -179.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.53 25.8 27.0 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.346 -0.931 . . . . 0.0 111.957 179.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 64.43 24.39 13.16 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.983 0.734 . . . . 0.0 112.983 179.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 65.0 mtt180 -70.45 -39.2 74.46 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.825 0.822 . . . . 0.0 108.896 178.3 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . 0.724 ' HA3' HG22 ' D' ' 27' ' ' THR . . . 127.7 162.29 11.05 Favored Glycine 0 N--CA 1.441 -1.003 0 CA-C-N 114.393 -1.276 . . . . 0.0 110.319 -178.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . 1.032 ' HE2' ' HB3' ' B' ' 16' ' ' TYR . 37.5 p90 -165.02 173.77 11.18 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 117.298 0.549 . . . . 0.0 110.512 -179.646 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 5.2 p90 -126.36 139.54 53.2 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.373 178.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -131.18 104.37 7.03 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . 0.748 HG22 ' HA3' ' D' ' 23' ' ' GLY . 7.5 p -122.82 95.45 46.37 Favored Pre-proline 0 C--N 1.318 -0.762 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.808 -179.179 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -80.81 40.05 0.94 Allowed 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.946 2.431 . . . . 0.0 111.3 179.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -128.13 90.74 3.14 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.816 -1.084 . . . . 0.0 109.504 -179.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 13.1 t . . . . . 0 C--O 1.246 0.883 0 CA-C-O 118.84 -0.6 . . . . 0.0 109.568 -179.054 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.462 0 N-CA-C 112.092 -0.403 . . . . 0.0 112.092 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 9.4 tt -167.41 -37.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-O 120.763 0.316 . . . . 0.0 110.762 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 3' ' ' VAL . . . . . 0.438 ' CG1' ' HG3' ' D' ' 4' ' ' GLN . 90.6 t -66.97 -46.88 83.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.382 0.61 . . . . 0.0 110.936 179.369 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 4' ' ' GLU . . . . . 0.534 ' H ' ' CD ' ' C' ' 4' ' ' GLU . 0.4 OUTLIER -68.94 -20.88 64.21 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.001 -179.782 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 5' ' ' GLN . . . . . 0.473 ' HG2' ' SG ' ' C' ' 11' ' ' CYS . 36.0 tt0 -96.71 -40.18 9.1 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -177.459 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 84.4 m -103.89 -35.49 8.14 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 114.28 1.215 . . . . 0.0 114.28 -176.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 7' ' ' CYS . . . . . 0.65 ' HB2' HD11 ' D' ' 11' ' ' LEU . 52.6 t -73.23 -13.46 61.15 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.471 -0.492 . . . . 0.0 111.103 -179.045 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.97 -59.87 2.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.257 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 9' ' ' SER . . . . . 0.477 ' O ' ' HB ' ' C' ' 10' ' ' ILE . 73.7 m -152.29 31.21 0.54 Allowed 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 111.735 0.272 . . . . 0.0 111.735 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . 0.477 ' HB ' ' O ' ' C' ' 9' ' ' SER . 1.7 mp 72.96 145.15 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 178.601 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 11' ' ' CYS . . . . . 0.473 ' SG ' ' HG2' ' C' ' 5' ' ' GLN . 99.1 m -104.51 172.47 6.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.426 -0.807 . . . . 0.0 110.296 179.33 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 34.0 m -81.5 169.07 17.57 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.365 178.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 13' ' ' LEU . . . . . 0.442 ' HG ' ' CG1' ' D' ' 18' ' ' VAL . 10.2 tt -58.53 -53.81 54.17 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 123.001 0.521 . . . . 0.0 111.849 -179.104 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -69.79 -16.55 63.31 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -179.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -71.97 -37.09 69.98 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.852 0.358 . . . . 0.0 110.124 178.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 16' ' ' LEU . . . . . 0.466 ' HB3' HD23 ' D' ' 15' ' ' LEU . 87.5 mt -71.92 -30.41 65.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.796 179.627 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -63.14 -21.1 65.97 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.273 -179.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -71.57 -9.05 57.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.323 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -105.96 4.37 29.41 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.78 0.324 . . . . 0.0 110.777 -179.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 67.1 m -68.99 159.97 31.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.391 0.615 . . . . 0.0 111.788 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 2.7 m120 . . . . . 0 C--O 1.252 1.206 0 CA-C-O 118.416 -0.802 . . . . 0.0 110.015 179.232 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 57.9 t80 . . . . . 0 N--CA 1.483 1.196 0 N-CA-C 111.264 0.098 . . . . 0.0 111.264 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 2' ' ' VAL . . . . . 0.412 ' HB ' HD11 ' G' ' 10' ' ' ILE . 28.6 m 45.69 -146.54 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 124.059 0.944 . . . . 0.0 112.544 -179.055 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 3' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -160.45 -173.27 3.91 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 -178.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 4' ' ' GLN . . . . . 0.796 ' HA ' ' HB3' ' D' ' 7' ' ' CYS . 0.0 OUTLIER -56.4 -24.72 46.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.842 0.353 . . . . 0.0 110.204 179.572 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 5' ' ' HIS . . . . . 0.512 ' NE2' ' HG ' ' B' ' 17' ' ' LEU . 34.9 t60 -58.78 -18.49 32.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.85 -0.613 . . . . 0.0 111.301 179.376 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 6' ' ' LEU . . . . . 0.82 HD21 ' H4 ' ' G' ' 22' ' ' IPH . 35.3 mt -126.66 -9.26 6.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.262 0.554 . . . . 0.0 110.333 178.492 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 7' ' ' CYS . . . . . 0.796 ' HB3' ' HA ' ' D' ' 4' ' ' GLN . 5.9 t -88.3 -43.67 11.38 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.149 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 8' ' ' GLY . . . . . 0.538 ' HA2' HD12 ' D' ' 11' ' ' LEU . . . -62.42 -28.63 71.42 Favored Glycine 0 N--CA 1.45 -0.413 0 CA-C-N 116.059 -0.519 . . . . 0.0 113.379 -179.397 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 9' ' ' SER . . . . . 0.868 ' HB2' ' HG2' ' B' ' 13' ' ' GLU . 38.3 p -61.56 -24.83 66.91 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.947 0.403 . . . . 0.0 111.488 -179.283 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 10' ' ' HIS . . . . . 0.466 ' HA ' ' HG3' ' D' ' 13' ' ' GLU . 98.4 m-70 -99.04 -17.14 18.41 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.04 -179.229 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 11' ' ' LEU . . . . . 0.699 HD23 ' H5 ' ' C' ' 22' ' ' IPH . 52.5 mt -71.61 -40.34 69.9 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 177.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . 0.593 ' HA ' HD12 ' D' ' 15' ' ' LEU . 3.2 m -68.87 -27.12 34.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.097 -0.956 . . . . 0.0 111.802 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 13' ' ' GLU . . . . . 0.864 ' HG2' ' HB2' ' B' ' 9' ' ' SER . 41.1 mt-10 -59.84 -46.69 88.48 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.327 0.584 . . . . 0.0 109.771 179.379 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.39 -26.54 51.91 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.464 179.3 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 15' ' ' LEU . . . . . 0.593 HD12 ' HA ' ' D' ' 12' ' ' VAL . 12.9 mt -55.66 -57.29 12.6 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.899 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 16' ' ' TYR . . . . . 1.064 ' HB3' ' HE2' ' D' ' 24' ' ' PHE . 18.7 p90 -74.18 -27.57 60.88 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 119.665 -0.814 . . . . 0.0 111.262 -179.058 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . 0.581 HD11 ' H3 ' ' I' ' 22' ' ' IPH . 7.0 tt -67.03 -50.94 60.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.91 0.386 . . . . 0.0 110.34 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . 0.442 ' CG1' ' HG ' ' C' ' 13' ' ' LEU . 76.7 t -70.83 -37.15 67.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.123 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 19' ' ' CYS . . . . . . . . . . . . . 37.7 t -64.71 -24.62 67.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.32 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.33 27.45 20.43 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.37 -0.919 . . . . 0.0 111.911 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 63.07 23.3 13.89 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 179.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 22' ' ' ARG . . . . . . . . . . . . . 66.2 mtt180 -69.49 -41.42 76.16 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 121.995 0.902 . . . . 0.0 108.661 178.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 23' ' ' GLY . . . . . 0.748 ' HA3' HG22 ' B' ' 27' ' ' THR . . . 129.72 162.77 10.94 Favored Glycine 0 N--CA 1.44 -1.068 0 CA-C-N 114.325 -1.307 . . . . 0.0 110.201 -178.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 24' ' ' PHE . . . . . 1.064 ' HE2' ' HB3' ' D' ' 16' ' ' TYR . 37.8 p90 -164.91 174.49 10.5 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 117.134 0.467 . . . . 0.0 110.603 -179.733 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 25' ' ' PHE . . . . . . . . . . . . . 5.0 p90 -126.88 139.44 53.07 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.367 178.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 26' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -131.29 103.52 6.51 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.174 0.511 . . . . 0.0 109.74 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 27' ' ' THR . . . . . 0.724 HG22 ' HA3' ' B' ' 23' ' ' GLY . 8.4 p -121.8 95.39 47.83 Favored Pre-proline 0 C--N 1.318 -0.798 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.894 -179.334 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 28' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -81.36 43.37 1.52 Allowed 'Trans proline' 0 N--CA 1.463 -0.286 0 C-N-CA 122.727 2.285 . . . . 0.0 110.954 179.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -131.36 90.23 2.83 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.68 -1.146 . . . . 0.0 109.31 -178.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 14.5 t . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.756 -0.64 . . . . 0.0 109.979 -178.807 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.667 0 N-CA-C 112.215 -0.354 . . . . 0.0 112.215 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' E' E ' 2' ' ' ILE . . . . . . . . . . . . . 9.4 tt -167.45 -36.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 120.743 0.306 . . . . 0.0 110.787 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 3' ' ' VAL . . . . . 0.442 ' O ' ' HB3' ' E' ' 7' ' ' CYS . 97.4 t -67.77 -47.13 80.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.253 0.549 . . . . 0.0 110.309 179.414 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 4' ' ' GLU . . . . . 0.526 ' H ' ' CD ' ' E' ' 4' ' ' GLU . 0.4 OUTLIER -68.69 -20.23 64.41 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.38 -179.778 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' E' E ' 5' ' ' GLN . . . . . 0.521 ' HG2' ' SG ' ' E' ' 11' ' ' CYS . 37.4 tt0 -97.74 -39.89 8.83 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 -177.486 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 6' ' ' CYS . . . . . . . . . . . . . 85.9 m -103.92 -35.94 7.96 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 -176.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 7' ' ' CYS . . . . . 0.666 ' HB2' HD11 ' F' ' 11' ' ' LEU . 52.8 t -73.39 -12.47 60.83 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.546 -0.462 . . . . 0.0 111.048 -178.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.51 -59.22 2.83 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.26 179.556 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 9' ' ' SER . . . . . 0.477 ' O ' ' HB ' ' E' ' 10' ' ' ILE . 66.7 m -153.27 31.52 0.48 Allowed 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 111.844 0.313 . . . . 0.0 111.844 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 10' ' ' ILE . . . . . 0.477 ' HB ' ' O ' ' E' ' 9' ' ' SER . 1.7 mp 72.66 144.94 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 CA-C-O 121.456 0.646 . . . . 0.0 112.729 178.677 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 11' ' ' CYS . . . . . 0.521 ' SG ' ' HG2' ' E' ' 5' ' ' GLN . 98.3 m -104.1 173.01 6.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.254 -0.884 . . . . 0.0 110.194 179.422 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 12' ' ' SER . . . . . . . . . . . . . 45.7 m -83.01 168.44 16.97 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.685 0.278 . . . . 0.0 110.476 178.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 13' ' ' LEU . . . . . 0.437 ' HG ' ' CG1' ' F' ' 18' ' ' VAL . 10.1 tt -57.24 -54.18 49.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.862 -178.697 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -69.58 -17.23 63.53 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -179.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -70.55 -37.59 74.06 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 178.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 16' ' ' LEU . . . . . 0.448 ' HB3' HD23 ' F' ' 15' ' ' LEU . 86.1 mt -71.77 -30.54 65.67 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.892 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 17' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -63.29 -20.19 65.25 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.477 -179.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 18' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -71.97 -11.88 60.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.886 0.375 . . . . 0.0 111.116 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 19' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -103.29 5.09 37.23 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.83 0.348 . . . . 0.0 111.289 -179.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 20' ' ' CYS . . . . . . . . . . . . . 67.0 m -69.33 160.02 32.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.3 0.572 . . . . 0.0 111.85 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 21' ' ' ASN . . . . . . . . . . . . . 2.7 m120 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.321 -0.847 . . . . 0.0 110.563 179.594 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' F' F ' 1' ' ' PHE . . . . . . . . . . . . . 55.6 t80 . . . . . 0 N--CA 1.484 1.254 0 N-CA-C 111.3 0.111 . . . . 0.0 111.3 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' F' F ' 2' ' ' VAL . . . . . 0.404 ' HB ' HD11 ' A' ' 10' ' ' ILE . 27.5 m 46.53 -147.36 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 124.194 0.997 . . . . 0.0 112.418 -179.247 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 3' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -159.47 -171.95 3.52 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 -178.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 4' ' ' GLN . . . . . 0.832 ' HA ' ' HB3' ' F' ' 7' ' ' CYS . 0.0 OUTLIER -57.42 -24.06 53.27 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 122.635 0.374 . . . . 0.0 110.162 179.477 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' F' F ' 5' ' ' HIS . . . . . 0.503 ' NE2' ' HG ' ' H' ' 17' ' ' LEU . 35.8 t60 -59.42 -18.05 35.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.337 179.375 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 6' ' ' LEU . . . . . 0.845 HD21 ' H4 ' ' A' ' 22' ' ' IPH . 32.4 mt -127.26 -8.98 5.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.237 0.541 . . . . 0.0 110.132 178.629 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 7' ' ' CYS . . . . . 0.832 ' HB3' ' HA ' ' F' ' 4' ' ' GLN . 6.4 t -88.63 -43.68 11.17 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.053 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 8' ' ' GLY . . . . . 0.507 ' HA2' HD12 ' F' ' 11' ' ' LEU . . . -62.74 -28.27 71.34 Favored Glycine 0 N--CA 1.451 -0.313 0 CA-C-N 116.038 -0.528 . . . . 0.0 113.323 -179.423 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 9' ' ' SER . . . . . 0.853 ' HB2' ' HG2' ' H' ' 13' ' ' GLU . 28.8 p -61.77 -24.75 67.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.903 0.382 . . . . 0.0 111.415 -179.284 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 10' ' ' HIS . . . . . 0.48 ' HA ' ' HG3' ' F' ' 13' ' ' GLU . 98.4 m-70 -99.09 -17.2 18.34 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.854 0.359 . . . . 0.0 111.174 -179.192 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 11' ' ' LEU . . . . . 0.695 HD23 ' H5 ' ' E' ' 22' ' ' IPH . 53.7 mt -71.47 -40.51 70.23 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 177.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 12' ' ' VAL . . . . . 0.596 ' HA ' HD12 ' F' ' 15' ' ' LEU . 2.9 m -68.37 -27.66 37.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 CA-C-N 114.975 -1.011 . . . . 0.0 111.767 179.495 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 13' ' ' GLU . . . . . 0.852 ' HG2' ' HB2' ' H' ' 9' ' ' SER . 39.8 mt-10 -59.32 -46.97 87.13 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.376 0.608 . . . . 0.0 109.849 179.274 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.47 -26.65 51.59 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.45 179.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 15' ' ' LEU . . . . . 0.596 HD12 ' HA ' ' F' ' 12' ' ' VAL . 12.7 mt -55.53 -57.2 12.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.974 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 16' ' ' TYR . . . . . 1.095 ' HB3' ' HE2' ' F' ' 24' ' ' PHE . 19.0 p90 -74.37 -27.58 60.72 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 119.7 -0.8 . . . . 0.0 111.254 -179.087 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 17' ' ' LEU . . . . . 0.56 HD11 ' H3 ' ' K' ' 22' ' ' IPH . 7.2 tt -67.0 -50.41 62.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.332 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . 0.437 ' CG1' ' HG ' ' E' ' 13' ' ' LEU . 79.7 t -71.36 -37.42 65.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.977 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 19' ' ' CYS . . . . . . . . . . . . . 35.8 t -64.32 -25.23 67.95 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.291 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.4 25.98 22.11 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.092 -1.051 . . . . 0.0 111.72 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 21' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 64.05 24.11 13.44 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 179.077 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 22' ' ' ARG . . . . . . . . . . . . . 64.3 mtt180 -69.76 -40.6 76.0 Favored 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 178.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 23' ' ' GLY . . . . . 0.75 ' HA3' HG22 ' H' ' 27' ' ' THR . . . 128.86 162.81 11.08 Favored Glycine 0 N--CA 1.44 -1.073 0 CA-C-N 114.151 -1.386 . . . . 0.0 110.332 -178.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 24' ' ' PHE . . . . . 1.095 ' HE2' ' HB3' ' F' ' 16' ' ' TYR . 37.9 p90 -164.84 174.48 10.56 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 117.28 0.54 . . . . 0.0 110.518 -179.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 25' ' ' PHE . . . . . . . . . . . . . 5.2 p90 -127.06 139.59 52.89 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 178.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 26' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -131.46 103.82 6.64 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.183 0.516 . . . . 0.0 109.76 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 27' ' ' THR . . . . . 0.731 HG22 ' HA3' ' H' ' 23' ' ' GLY . 11.4 p -121.98 96.0 47.12 Favored Pre-proline 0 C--N 1.319 -0.743 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.808 -179.476 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 28' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -80.59 39.44 0.85 Allowed 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.692 2.261 . . . . 0.0 111.162 179.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 29' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -127.69 91.85 3.37 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.072 -0.967 . . . . 0.0 109.361 -179.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 30' ' ' THR . . . . . . . . . . . . . 14.7 t . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.764 -0.636 . . . . 0.0 109.564 -179.153 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' G' G ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.893 0 N-CA-C 112.72 -0.152 . . . . 0.0 112.72 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' G' G ' 2' ' ' ILE . . . . . . . . . . . . . 9.8 tt -165.76 -37.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 120.887 0.375 . . . . 0.0 110.542 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 3' ' ' VAL . . . . . 0.412 ' CG1' ' HG3' ' H' ' 4' ' ' GLN . 93.4 t -66.19 -47.92 83.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.316 0.579 . . . . 0.0 110.498 179.259 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 4' ' ' GLU . . . . . 0.53 ' H ' ' CD ' ' G' ' 4' ' ' GLU . 0.3 OUTLIER -68.62 -18.01 64.22 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.32 -0.855 . . . . 0.0 111.593 -179.698 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' G' G ' 5' ' ' GLN . . . . . 0.497 ' HG2' ' SG ' ' G' ' 11' ' ' CYS . 36.4 tt0 -99.38 -40.67 7.77 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 -177.48 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 6' ' ' CYS . . . . . . . . . . . . . 85.8 m -103.29 -36.19 8.15 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 114.274 1.213 . . . . 0.0 114.274 -176.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 7' ' ' CYS . . . . . 0.65 ' HB2' HD11 ' H' ' 11' ' ' LEU . 52.8 t -73.36 -12.37 60.8 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 118.279 0.491 . . . . 0.0 111.306 -178.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.77 -60.54 2.18 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.002 179.503 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 9' ' ' SER . . . . . 0.45 ' O ' ' HB ' ' G' ' 10' ' ' ILE . 71.3 m -151.81 33.06 0.55 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.665 0.246 . . . . 0.0 111.665 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 10' ' ' ILE . . . . . 0.484 HG12 ' HB3' ' D' ' 5' ' ' HIS . 1.8 mp 71.4 145.79 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 N-CA-C 112.855 0.687 . . . . 0.0 112.855 178.617 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 11' ' ' CYS . . . . . 0.497 ' SG ' ' HG2' ' G' ' 5' ' ' GLN . 98.8 m -105.13 172.36 6.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.35 179.261 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 12' ' ' SER . . . . . . . . . . . . . 48.4 m -81.88 168.54 17.83 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.731 0.301 . . . . 0.0 110.507 178.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 13' ' ' LEU . . . . . 0.418 ' HG ' ' CG1' ' H' ' 18' ' ' VAL . 10.2 tt -57.55 -54.25 48.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.925 -178.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -69.34 -17.54 63.72 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -179.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -70.58 -37.54 73.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.792 0.329 . . . . 0.0 110.135 178.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 16' ' ' LEU . . . . . 0.43 ' HB3' HD23 ' H' ' 15' ' ' LEU . 90.3 mt -71.56 -31.13 66.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.727 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 17' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -62.62 -20.61 64.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.603 -179.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 18' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -71.28 -11.99 61.21 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.907 0.384 . . . . 0.0 111.15 179.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 19' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -102.95 4.65 37.71 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.795 0.331 . . . . 0.0 111.044 -179.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 20' ' ' CYS . . . . . . . . . . . . . 67.6 m -69.4 158.39 35.2 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.369 0.604 . . . . 0.0 112.057 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 21' ' ' ASN . . . . . . . . . . . . . 2.8 m120 . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.379 -0.82 . . . . 0.0 109.887 179.029 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' H' H ' 1' ' ' PHE . . . . . . . . . . . . . 54.9 t80 . . . . . 0 N--CA 1.483 1.213 0 CA-C-O 120.437 0.16 . . . . 0.0 111.303 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' H' H ' 2' ' ' VAL . . . . . 0.407 ' HB ' HD11 ' K' ' 10' ' ' ILE . 27.7 m 45.94 -147.49 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 C-N-CA 124.125 0.97 . . . . 0.0 112.437 -179.252 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' H' H ' 3' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -159.17 -171.92 3.56 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 122.094 -0.379 . . . . 0.0 110.024 -178.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 4' ' ' GLN . . . . . 0.822 ' HA ' ' HB3' ' H' ' 7' ' ' CYS . 0.0 OUTLIER -56.49 -25.99 52.99 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 123.413 0.446 . . . . 0.0 110.204 179.369 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' H' H ' 5' ' ' HIS . . . . . 0.509 ' NE2' ' HG ' ' F' ' 17' ' ' LEU . 34.5 t60 -57.68 -18.81 22.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.493 179.453 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' H' H ' 6' ' ' LEU . . . . . 0.799 HD21 ' H4 ' ' K' ' 22' ' ' IPH . 35.3 mt -126.58 -9.38 6.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.41 0.624 . . . . 0.0 110.358 178.42 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' H' H ' 7' ' ' CYS . . . . . 0.822 ' HB3' ' HA ' ' H' ' 4' ' ' GLN . 6.0 t -88.15 -43.76 11.41 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.061 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' H' H ' 8' ' ' GLY . . . . . 0.542 ' HA2' HD12 ' H' ' 11' ' ' LEU . . . -62.62 -28.16 70.99 Favored Glycine 0 N--CA 1.45 -0.367 0 CA-C-N 116.08 -0.509 . . . . 0.0 113.422 -179.271 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' H' H ' 9' ' ' SER . . . . . 0.852 ' HB2' ' HG2' ' F' ' 13' ' ' GLU . 36.9 p -61.98 -24.56 67.1 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.946 0.403 . . . . 0.0 111.42 -179.269 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' H' H ' 10' ' ' HIS . . . . . 0.456 ' HA ' ' HG3' ' H' ' 13' ' ' GLU . 98.3 m-70 -98.92 -17.4 18.38 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.868 0.366 . . . . 0.0 111.11 -179.37 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' H' H ' 11' ' ' LEU . . . . . 0.699 HD23 ' H5 ' ' G' ' 22' ' ' IPH . 48.9 mt -71.28 -40.51 70.85 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 177.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' H' H ' 12' ' ' VAL . . . . . 0.599 ' HA ' HD12 ' H' ' 15' ' ' LEU . 3.0 m -68.52 -27.45 36.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.074 -0.966 . . . . 0.0 111.898 179.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' H' H ' 13' ' ' GLU . . . . . 0.853 ' HG2' ' HB2' ' F' ' 9' ' ' SER . 40.4 mt-10 -59.57 -46.58 88.51 Favored 'General case' 0 CA--C 1.521 -0.138 0 CA-C-O 121.364 0.602 . . . . 0.0 109.844 179.277 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' H' H ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.79 -26.54 49.75 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.517 179.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 15' ' ' LEU . . . . . 0.599 HD12 ' HA ' ' H' ' 12' ' ' VAL . 12.9 mt -55.48 -57.62 11.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.246 -0.433 . . . . 0.0 112.042 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' H' H ' 16' ' ' TYR . . . . . 1.06 ' HB3' ' HE2' ' H' ' 24' ' ' PHE . 18.3 p90 -74.14 -27.48 60.87 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 119.781 -0.767 . . . . 0.0 111.25 -179.071 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' H' H ' 17' ' ' LEU . . . . . 0.556 HD11 ' H3 ' ' A' ' 22' ' ' IPH . 7.1 tt -66.85 -51.38 56.15 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.194 179.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . 0.418 ' CG1' ' HG ' ' G' ' 13' ' ' LEU . 79.7 t -70.49 -37.25 69.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.175 179.703 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' H' H ' 19' ' ' CYS . . . . . . . . . . . . . 36.5 t -64.61 -24.11 67.48 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.388 -179.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.88 26.96 23.0 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.325 -0.94 . . . . 0.0 111.881 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 21' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 63.26 24.44 14.3 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 179.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 22' ' ' ARG . . . . . . . . . . . . . 69.0 mtt180 -70.12 -39.51 75.4 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.756 0.789 . . . . 0.0 108.945 177.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 23' ' ' GLY . . . . . 0.731 ' HA3' HG22 ' F' ' 27' ' ' THR . . . 127.8 162.78 11.2 Favored Glycine 0 N--CA 1.441 -1.0 0 CA-C-N 114.191 -1.368 . . . . 0.0 110.316 -178.391 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' H' H ' 24' ' ' PHE . . . . . 1.06 ' HE2' ' HB3' ' H' ' 16' ' ' TYR . 36.5 p90 -165.19 174.39 10.32 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 117.205 0.503 . . . . 0.0 110.461 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' H' H ' 25' ' ' PHE . . . . . . . . . . . . . 4.9 p90 -126.91 139.63 52.93 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 178.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 26' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -131.23 103.42 6.46 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.09 0.471 . . . . 0.0 109.734 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 27' ' ' THR . . . . . 0.75 HG22 ' HA3' ' F' ' 23' ' ' GLY . 6.1 p -121.84 95.8 47.49 Favored Pre-proline 0 C--N 1.317 -0.813 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.853 -179.271 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' H' H ' 28' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -81.27 41.24 1.11 Allowed 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.817 2.345 . . . . 0.0 111.232 179.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 29' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -129.07 89.29 2.84 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.918 -1.037 . . . . 0.0 109.499 -178.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 30' ' ' THR . . . . . . . . . . . . . 14.9 t . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.824 -0.607 . . . . 0.0 109.547 -179.224 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' I' I ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.409 0 N-CA-C 112.355 -0.298 . . . . 0.0 112.355 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' I' I ' 2' ' ' ILE . . . . . . . . . . . . . 8.6 tt -167.36 -36.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.083 0.468 . . . . 0.0 110.753 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 3' ' ' VAL . . . . . 0.423 ' CG1' ' HG3' ' J' ' 4' ' ' GLN . 96.5 t -67.43 -48.68 76.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.329 0.585 . . . . 0.0 110.26 179.265 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' I' I ' 4' ' ' GLU . . . . . 0.533 ' CD ' ' H ' ' I' ' 4' ' ' GLU . 0.4 OUTLIER -67.15 -20.5 65.76 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.499 -179.863 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' I' I ' 5' ' ' GLN . . . . . 0.504 ' HG2' ' SG ' ' I' ' 11' ' ' CYS . 36.9 tt0 -97.11 -39.73 9.17 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 113.018 0.747 . . . . 0.0 113.018 -177.536 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' I' I ' 6' ' ' CYS . . . . . . . . . . . . . 86.2 m -104.44 -35.59 7.85 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 -176.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 7' ' ' CYS . . . . . 0.626 ' HB2' HD11 ' J' ' 11' ' ' LEU . 52.7 t -73.58 -12.88 60.91 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.411 -0.516 . . . . 0.0 111.079 -179.086 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' I' I ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.24 -60.84 2.03 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.143 179.596 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' I' I ' 9' ' ' SER . . . . . 0.455 ' O ' ' HB ' ' I' ' 10' ' ' ILE . 73.4 m -151.29 32.14 0.59 Allowed 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 111.753 0.279 . . . . 0.0 111.753 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' I' I ' 10' ' ' ILE . . . . . 0.455 ' HB ' ' O ' ' I' ' 9' ' ' SER . 1.7 mp 72.44 147.56 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 CA-C-O 121.415 0.626 . . . . 0.0 112.626 178.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' I' I ' 11' ' ' CYS . . . . . 0.504 ' SG ' ' HG2' ' I' ' 5' ' ' GLN . 96.0 m -106.94 172.35 6.87 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 123.441 0.696 . . . . 0.0 110.267 179.577 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' I' I ' 12' ' ' SER . . . . . . . . . . . . . 44.2 m -82.07 168.19 18.04 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.795 0.331 . . . . 0.0 110.445 178.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 13' ' ' LEU . . . . . 0.421 ' HG ' ' CG1' ' J' ' 18' ' ' VAL . 10.1 tt -57.0 -54.11 50.42 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.808 -179.029 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -69.97 -16.1 63.14 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -179.018 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -71.75 -37.72 70.5 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 178.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 16' ' ' LEU . . . . . 0.43 ' HB3' HD23 ' J' ' 15' ' ' LEU . 88.2 mt -71.38 -30.35 66.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.126 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' I' I ' 17' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -63.66 -20.76 65.96 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.332 -179.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 18' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -71.94 -8.17 52.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.844 0.354 . . . . 0.0 111.357 179.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 19' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -106.65 4.28 27.72 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.952 0.406 . . . . 0.0 110.842 -179.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 20' ' ' CYS . . . . . . . . . . . . . 65.8 m -69.57 158.66 34.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.914 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 21' ' ' ASN . . . . . . . . . . . . . 2.8 m120 . . . . . 0 C--O 1.249 1.057 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.057 179.229 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' J' J ' 1' ' ' PHE . . . . . . . . . . . . . 56.0 t80 . . . . . 0 N--CA 1.484 1.257 0 CA-C-O 120.371 0.129 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' J' J ' 2' ' ' VAL . . . . . 0.414 ' HB ' HD11 ' E' ' 10' ' ' ILE . 28.6 m 45.89 -146.55 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 C-N-CA 124.183 0.993 . . . . 0.0 112.58 -179.237 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' J' J ' 3' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -160.24 -173.16 3.89 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 -178.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 4' ' ' GLN . . . . . 0.796 ' HA ' ' HB3' ' J' ' 7' ' ' CYS . 0.0 OUTLIER -56.12 -25.5 46.19 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.843 0.354 . . . . 0.0 110.147 179.375 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' J' J ' 5' ' ' HIS . . . . . 0.525 ' NE2' ' HG ' ' L' ' 17' ' ' LEU . 34.7 t60 -58.08 -18.22 23.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.564 179.445 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' J' J ' 6' ' ' LEU . . . . . 0.827 HD21 ' H4 ' ' E' ' 22' ' ' IPH . 36.5 mt -127.33 -8.79 5.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.241 0.543 . . . . 0.0 110.143 178.493 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' J' J ' 7' ' ' CYS . . . . . 0.796 ' HB3' ' HA ' ' J' ' 4' ' ' GLN . 6.6 t -88.96 -42.86 11.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.186 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' J' J ' 8' ' ' GLY . . . . . 0.551 ' HA2' HD12 ' J' ' 11' ' ' LEU . . . -63.26 -28.82 72.86 Favored Glycine 0 N--CA 1.452 -0.238 0 CA-C-N 116.001 -0.545 . . . . 0.0 113.155 -179.429 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' J' J ' 9' ' ' SER . . . . . 0.864 ' HB2' ' HG2' ' L' ' 13' ' ' GLU . 35.4 p -61.29 -24.89 66.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.855 0.359 . . . . 0.0 111.528 -179.372 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' J' J ' 10' ' ' HIS . . . . . 0.483 ' HA ' ' HG3' ' J' ' 13' ' ' GLU . 98.5 m-70 -98.97 -17.29 18.39 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.888 0.375 . . . . 0.0 111.1 -179.14 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' J' J ' 11' ' ' LEU . . . . . 0.708 HD23 ' H5 ' ' I' ' 22' ' ' IPH . 49.5 mt -71.37 -40.46 70.61 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 177.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' J' J ' 12' ' ' VAL . . . . . 0.611 ' HA ' HD12 ' J' ' 15' ' ' LEU . 3.2 m -68.67 -27.22 35.28 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 CA-C-N 114.98 -1.009 . . . . 0.0 111.843 179.593 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' J' J ' 13' ' ' GLU . . . . . 0.864 ' HG2' ' HB2' ' L' ' 9' ' ' SER . 39.7 mt-10 -60.07 -46.11 90.66 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.342 0.592 . . . . 0.0 109.829 179.355 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' J' J ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.94 -26.47 48.94 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.357 179.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 15' ' ' LEU . . . . . 0.611 HD12 ' HA ' ' J' ' 12' ' ' VAL . 12.8 mt -55.77 -57.38 12.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.901 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' J' J ' 16' ' ' TYR . . . . . 1.046 ' HB3' ' HE2' ' J' ' 24' ' ' PHE . 18.4 p90 -74.07 -27.52 60.95 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 119.735 -0.786 . . . . 0.0 111.397 -179.139 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' J' J ' 17' ' ' LEU . . . . . 0.576 HD11 ' H3 ' ' C' ' 22' ' ' IPH . 7.0 tt -66.86 -51.41 55.84 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.326 179.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' J' J ' 18' ' ' VAL . . . . . 0.421 ' CG1' ' HG ' ' I' ' 13' ' ' LEU . 74.6 t -70.52 -36.95 68.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 179.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' J' J ' 19' ' ' CYS . . . . . . . . . . . . . 37.5 t -65.54 -20.33 66.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.332 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.71 27.27 32.6 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.299 -0.953 . . . . 0.0 112.375 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 21' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 62.55 26.38 15.67 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 113.183 0.809 . . . . 0.0 113.183 179.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 22' ' ' ARG . . . . . . . . . . . . . 63.5 mtt180 -71.94 -40.59 68.63 Favored 'General case' 0 CA--C 1.519 -0.215 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 178.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 23' ' ' GLY . . . . . 0.706 ' HA3' HG22 ' L' ' 27' ' ' THR . . . 129.42 162.95 11.05 Favored Glycine 0 N--CA 1.443 -0.89 0 CA-C-N 114.167 -1.378 . . . . 0.0 110.18 -178.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' J' J ' 24' ' ' PHE . . . . . 1.046 ' HE2' ' HB3' ' J' ' 16' ' ' TYR . 36.4 p90 -165.3 173.6 11.04 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 117.261 0.53 . . . . 0.0 110.472 -179.615 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' J' J ' 25' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -126.09 139.81 53.09 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.251 178.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 26' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -131.31 103.71 6.61 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.042 0.449 . . . . 0.0 109.823 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 27' ' ' THR . . . . . 0.745 HG22 ' HA3' ' L' ' 23' ' ' GLY . 8.1 p -122.14 95.44 47.33 Favored Pre-proline 0 C--N 1.318 -0.79 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.063 -179.288 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' J' J ' 28' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_endo -80.6 40.2 0.95 Allowed 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.765 2.31 . . . . 0.0 111.235 179.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 29' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -128.6 89.33 2.88 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.771 -1.104 . . . . 0.0 109.501 -179.099 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 30' ' ' THR . . . . . . . . . . . . . 15.3 t . . . . . 0 C--O 1.248 0.99 0 CA-C-O 118.849 -0.596 . . . . 0.0 109.584 -179.361 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.166 0 N-CA-C 111.719 -0.552 . . . . 0.0 111.719 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' K' K ' 2' ' ' ILE . . . . . . . . . . . . . 9.4 tt -167.01 -37.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-O 120.783 0.325 . . . . 0.0 110.772 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' K' K ' 3' ' ' VAL . . . . . 0.416 ' O ' ' HB3' ' K' ' 7' ' ' CYS . 93.8 t -66.31 -48.43 81.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 121.278 0.561 . . . . 0.0 110.455 179.472 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' K' K ' 4' ' ' GLU . . . . . 0.54 ' CD ' ' H ' ' K' ' 4' ' ' GLU . 0.4 OUTLIER -67.61 -20.17 65.32 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.294 -179.831 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' K' K ' 5' ' ' GLN . . . . . 0.487 ' HG2' ' SG ' ' K' ' 11' ' ' CYS . 36.0 tt0 -97.32 -39.73 9.08 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -177.378 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' K' K ' 6' ' ' CYS . . . . . . . . . . . . . 83.4 m -104.22 -35.98 7.82 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 114.256 1.206 . . . . 0.0 114.256 -176.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' K' K ' 7' ' ' CYS . . . . . 0.659 ' HB2' HD11 ' L' ' 11' ' ' LEU . 52.6 t -73.25 -12.91 61.03 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 121.839 -0.538 . . . . 0.0 111.148 -178.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' K' K ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.47 -60.79 2.06 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.157 179.385 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' K' K ' 9' ' ' SER . . . . . 0.457 ' O ' ' HB ' ' K' ' 10' ' ' ILE . 73.0 m -151.34 31.79 0.59 Allowed 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' K' K ' 10' ' ' ILE . . . . . 0.459 HG12 ' HB3' ' H' ' 5' ' ' HIS . 1.7 mp 72.5 144.62 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.625 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 178.556 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' K' K ' 11' ' ' CYS . . . . . 0.487 ' SG ' ' HG2' ' K' ' 5' ' ' GLN . 97.0 m -104.03 172.67 6.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.316 179.382 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' K' K ' 12' ' ' SER . . . . . . . . . . . . . 42.3 m -81.91 167.88 18.5 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.747 0.308 . . . . 0.0 110.382 179.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' K' K ' 13' ' ' LEU . . . . . 0.441 ' HG ' ' CG1' ' L' ' 18' ' ' VAL . 10.2 tt -57.36 -54.07 50.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.609 -179.076 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -69.57 -17.07 63.52 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -178.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -70.5 -39.72 73.98 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 178.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' K' K ' 16' ' ' LEU . . . . . 0.442 ' HB3' HD23 ' L' ' 15' ' ' LEU . 88.3 mt -69.17 -31.29 69.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.154 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' K' K ' 17' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -62.62 -20.66 64.98 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.521 -179.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' K' K ' 18' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -71.66 -10.45 59.79 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.899 0.38 . . . . 0.0 111.215 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' K' K ' 19' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -104.49 3.96 32.59 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.963 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' K' K ' 20' ' ' CYS . . . . . . . . . . . . . 68.1 m -68.88 159.63 32.21 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.16 0.505 . . . . 0.0 112.078 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' K' K ' 21' ' ' ASN . . . . . . . . . . . . . 2.8 m120 . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.475 -0.774 . . . . 0.0 109.975 178.948 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' L' L ' 1' ' ' PHE . . . . . . . . . . . . . 55.0 t80 . . . . . 0 N--CA 1.484 1.236 0 N-CA-C 111.365 0.135 . . . . 0.0 111.365 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' L' L ' 2' ' ' VAL . . . . . . . . . . . . . 28.5 m 46.14 -146.71 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 C-N-CA 124.281 1.032 . . . . 0.0 112.579 -179.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' L' L ' 3' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -160.05 -172.22 3.53 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 -178.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' L' L ' 4' ' ' GLN . . . . . 0.822 ' HA ' ' HB3' ' L' ' 7' ' ' CYS . 0.0 OUTLIER -56.92 -25.13 56.72 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.155 179.414 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' L' L ' 5' ' ' HIS . . . . . 0.528 ' NE2' ' HG ' ' J' ' 17' ' ' LEU . 34.9 t60 -58.7 -18.05 27.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.427 179.463 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' L' L ' 6' ' ' LEU . . . . . 0.826 HD21 ' H4 ' ' C' ' 22' ' ' IPH . 35.8 mt -127.03 -9.11 5.96 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.28 0.562 . . . . 0.0 109.967 178.461 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' L' L ' 7' ' ' CYS . . . . . 0.822 ' HB3' ' HA ' ' L' ' 4' ' ' GLN . 5.6 t -88.46 -43.7 11.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.121 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' L' L ' 8' ' ' GLY . . . . . 0.529 ' HA2' HD12 ' L' ' 11' ' ' LEU . . . -62.38 -28.6 71.33 Favored Glycine 0 N--CA 1.452 -0.249 0 CA-C-N 116.1 -0.5 . . . . 0.0 113.321 -179.438 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' L' L ' 9' ' ' SER . . . . . 0.864 ' HB2' ' HG2' ' J' ' 13' ' ' GLU . 28.2 p -61.38 -24.83 66.76 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.926 0.393 . . . . 0.0 111.526 -179.263 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' L' L ' 10' ' ' HIS . . . . . 0.478 ' HA ' ' HG3' ' L' ' 13' ' ' GLU . 98.4 m-70 -99.36 -17.18 18.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.964 0.411 . . . . 0.0 110.968 -179.237 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' L' L ' 11' ' ' LEU . . . . . 0.724 HD23 ' H5 ' ' K' ' 22' ' ' IPH . 55.9 mt -71.31 -40.39 70.82 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 177.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' L' L ' 12' ' ' VAL . . . . . 0.585 ' HA ' HD12 ' L' ' 15' ' ' LEU . 3.0 m -68.64 -27.5 36.44 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-N 114.989 -1.005 . . . . 0.0 112.003 179.529 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' L' L ' 13' ' ' GLU . . . . . 0.864 ' HG2' ' HB2' ' J' ' 9' ' ' SER . 40.6 mt-10 -59.72 -46.89 87.73 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 121.347 0.594 . . . . 0.0 109.717 179.49 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' L' L ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.12 -26.97 53.82 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.495 179.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' L' L ' 15' ' ' LEU . . . . . 0.585 HD12 ' HA ' ' L' ' 12' ' ' VAL . 12.5 mt -55.29 -57.5 11.55 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.915 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' L' L ' 16' ' ' TYR . . . . . 1.056 ' HB3' ' HE2' ' L' ' 24' ' ' PHE . 19.0 p90 -74.27 -27.55 60.8 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 119.787 -0.765 . . . . 0.0 111.235 -179.062 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' L' L ' 17' ' ' LEU . . . . . 0.57 HD11 ' H3 ' ' E' ' 22' ' ' IPH . 7.1 tt -66.54 -51.98 50.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.144 179.697 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' L' L ' 18' ' ' VAL . . . . . 0.441 ' CG1' ' HG ' ' K' ' 13' ' ' LEU . 78.0 t -69.7 -38.36 76.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.172 179.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' L' L ' 19' ' ' CYS . . . . . . . . . . . . . 36.3 t -63.95 -23.33 67.3 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.497 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' L' L ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.98 26.38 26.64 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.127 -1.035 . . . . 0.0 111.97 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' L' L ' 21' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 63.25 25.74 14.87 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 179.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' L' L ' 22' ' ' ARG . . . . . . . . . . . . . 66.5 mtt180 -70.66 -41.27 72.31 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 177.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' L' L ' 23' ' ' GLY . . . . . 0.745 ' HA3' HG22 ' J' ' 27' ' ' THR . . . 129.47 162.87 11.01 Favored Glycine 0 N--CA 1.441 -1.027 0 CA-C-N 114.152 -1.385 . . . . 0.0 109.984 -178.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' L' L ' 24' ' ' PHE . . . . . 1.056 ' HE2' ' HB3' ' L' ' 16' ' ' TYR . 37.4 p90 -164.62 174.57 10.67 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 117.192 0.496 . . . . 0.0 110.498 -179.652 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' L' L ' 25' ' ' PHE . . . . . . . . . . . . . 5.1 p90 -126.95 139.38 53.09 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 178.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' L' L ' 26' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -131.37 103.19 6.3 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.156 0.503 . . . . 0.0 109.741 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' L' L ' 27' ' ' THR . . . . . 0.706 HG22 ' HA3' ' J' ' 23' ' ' GLY . 11.1 p -121.49 95.91 47.96 Favored Pre-proline 0 C--N 1.318 -0.785 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.946 -179.322 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' L' L ' 28' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -81.14 41.51 1.16 Allowed 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.779 2.319 . . . . 0.0 111.194 179.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' L' L ' 29' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -129.55 90.86 3.06 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 114.816 -1.084 . . . . 0.0 109.188 -179.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' L' L ' 30' ' ' THR . . . . . . . . . . . . . 15.4 t . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.636 -0.697 . . . . 0.0 109.57 -179.379 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' IPH . . . . . 0.845 ' H4 ' HD21 ' F' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 22' ' ' IPH . . . . . 0.826 ' H4 ' HD21 ' L' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 22' ' ' IPH . . . . . 0.827 ' H4 ' HD21 ' J' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 22' ' ' IPH . . . . . 0.82 ' H4 ' HD21 ' D' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 22' ' ' IPH . . . . . 0.804 ' H4 ' HD21 ' B' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' K' K ' 22' ' ' IPH . . . . . 0.799 ' H4 ' HD21 ' H' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.933 0 N-CA-C 112.118 -0.393 . . . . 0.0 112.118 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 11.4 tt -56.29 -40.24 64.87 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -179.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.474 HG11 ' HG3' ' B' ' 4' ' ' GLN . 44.9 t -64.63 -47.6 88.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.061 0.458 . . . . 0.0 110.862 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -67.11 -11.37 57.01 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.538 -179.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.548 ' HG2' ' SG ' ' A' ' 11' ' ' CYS . 34.4 tt0 -107.92 -37.91 5.97 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -178.613 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.627 ' HB3' ' H6 ' ' A' ' 22' ' ' IPH . 84.6 m -97.95 -32.2 11.79 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 -177.604 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.45 ' HB2' HD11 ' B' ' 11' ' ' LEU . 41.5 t -78.06 -17.61 56.8 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.664 -0.415 . . . . 0.0 110.605 -179.679 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.91 -59.54 2.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.807 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.453 ' O ' ' HB ' ' A' ' 10' ' ' ILE . 45.4 m -149.01 30.39 0.79 Allowed 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.022 0.378 . . . . 0.0 112.022 -179.228 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.825 HD13 ' HB3' ' F' ' 3' ' ' ASN . 1.8 mp 71.41 142.52 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 CA-C-O 121.545 0.688 . . . . 0.0 112.688 178.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.548 ' SG ' ' HG2' ' A' ' 5' ' ' GLN . 97.7 m -104.69 160.6 14.84 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.529 -0.759 . . . . 0.0 109.889 179.114 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.6 m -69.01 158.96 33.73 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.316 179.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.8 tt -58.95 -57.34 13.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.751 0.31 . . . . 0.0 110.765 -179.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 11.3 p90 -63.32 -20.37 65.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.907 0.384 . . . . 0.0 111.2 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -70.95 -37.2 72.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.054 0.454 . . . . 0.0 109.993 179.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.535 ' HB3' HD23 ' B' ' 15' ' ' LEU . 92.1 mt -69.76 -28.67 65.97 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.22 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 77.3 tt0 -66.22 -17.68 64.88 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.991 -179.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -74.22 -6.24 46.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.112 0.482 . . . . 0.0 110.611 179.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -109.47 -102.41 0.38 Allowed 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 178.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.413 ' HB3' ' H ' ' A' ' 21' ' ' ASN . 35.5 m 51.63 -126.78 2.4 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 112.516 0.562 . . . . 0.0 112.516 178.44 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.413 ' H ' ' HB3' ' A' ' 20' ' ' CYS . 0.7 OUTLIER . . . . . 0 C--O 1.247 0.954 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 -179.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 51.4 t80 . . . . . 0 N--CA 1.482 1.156 0 CA-C-O 120.236 0.065 . . . . 0.0 111.068 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 20.5 m 40.39 -125.84 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 123.929 0.891 . . . . 0.0 112.793 -179.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . 0.824 ' HB3' HD13 ' I' ' 10' ' ' ILE . 20.2 t-20 -164.79 164.08 21.17 Favored 'General case' 0 C--O 1.237 0.409 0 O-C-N 122.372 -0.205 . . . . 0.0 110.467 -178.585 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . 0.474 ' HG3' HG11 ' A' ' 3' ' ' VAL . 19.0 tt0 -51.36 -29.52 15.7 Favored 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 123.262 0.625 . . . . 0.0 110.848 179.013 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -53.77 -20.82 6.16 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.303 179.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.656 HD21 ' H4 ' ' I' ' 22' ' ' IPH . 21.7 mt -114.45 -39.73 3.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.814 0.34 . . . . 0.0 110.719 179.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 46.8 t -66.76 -44.31 81.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.477 -179.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.33 -35.66 91.96 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.848 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . 0.515 ' O ' HG22 ' B' ' 12' ' ' VAL . 1.7 m -61.14 -33.29 73.16 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -179.437 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -88.82 -6.99 56.98 Favored 'General case' 0 CA--C 1.509 -0.596 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 -178.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.574 ' CD2' ' H5 ' ' A' ' 22' ' ' IPH . 45.7 mt -73.02 -17.96 61.39 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 177.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.898 HG21 HG21 ' D' ' 12' ' ' VAL . 5.0 m -71.26 -34.97 56.12 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.475 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.661 179.31 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -56.1 -42.33 76.64 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-O 121.843 0.83 . . . . 0.0 108.844 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.15 -50.25 42.36 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 114.483 -1.235 . . . . 0.0 110.823 178.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.535 HD23 ' HB3' ' A' ' 16' ' ' LEU . 91.4 mt -58.18 -56.49 21.36 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.239 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . 0.466 ' HB2' ' O ' ' B' ' 12' ' ' VAL . 1.0 OUTLIER -47.16 -44.41 21.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.479 -179.527 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -62.81 -45.83 90.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.139 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 57.8 t -70.75 -37.7 69.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.124 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . 0.46 ' HB3' ' HB2' ' B' ' 22' ' ' ARG . 77.6 m -65.19 -28.01 69.09 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.212 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.74 -110.45 3.03 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.707 -0.758 . . . . 0.0 111.881 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -94.11 -3.61 50.77 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.79 0.328 . . . . 0.0 110.998 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . 0.46 ' HB2' ' HB3' ' B' ' 19' ' ' CYS . 78.4 mtt180 -82.27 167.55 18.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.052 0.453 . . . . 0.0 110.105 178.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . 0.477 ' HA3' ' HD2' ' D' ' 28' ' ' PRO . . . -103.91 -152.73 22.91 Favored Glycine 0 N--CA 1.44 -1.049 0 N-CA-C 109.66 -1.376 . . . . 0.0 109.66 177.104 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . 0.784 ' CZ ' ' HB ' ' B' ' 12' ' ' VAL . 3.0 p90 -166.52 141.19 4.27 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.688 0.756 . . . . 0.0 111.589 178.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . 0.672 ' HA ' ' HA ' ' D' ' 25' ' ' PHE . 3.0 p90 -99.24 90.85 4.71 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 178.066 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.427 ' OH ' HD12 ' B' ' 11' ' ' LEU . 8.1 t80 -83.01 91.74 7.23 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.533 -178.089 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 16.0 p -110.04 94.66 18.41 Favored Pre-proline 0 C--N 1.319 -0.745 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.432 179.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . 0.472 ' HD2' ' HA3' ' D' ' 23' ' ' GLY . 74.6 Cg_endo -78.27 52.57 4.15 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.775 2.317 . . . . 0.0 112.218 -179.272 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 44.4 tttm -153.55 142.6 21.28 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.481 -0.782 . . . . 0.0 109.431 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 7.4 m . . . . . 0 C--O 1.255 1.367 0 CA-C-O 117.882 -1.056 . . . . 0.0 108.545 178.795 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.192 0 N-CA-C 111.737 -0.545 . . . . 0.0 111.737 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 10.8 tt -59.43 -38.78 76.88 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 C-N-CA 122.749 0.42 . . . . 0.0 111.999 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 3' ' ' VAL . . . . . 0.51 HG11 ' HG3' ' D' ' 4' ' ' GLN . 47.5 t -66.12 -46.7 87.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.221 0.534 . . . . 0.0 110.807 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -67.41 -10.95 56.2 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.663 -0.699 . . . . 0.0 112.153 -179.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 5' ' ' GLN . . . . . 0.542 ' HG2' ' SG ' ' C' ' 11' ' ' CYS . 34.3 tt0 -108.69 -37.27 5.95 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -178.457 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 6' ' ' CYS . . . . . 0.601 ' HB3' ' H6 ' ' C' ' 22' ' ' IPH . 86.2 m -98.79 -32.07 11.55 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 113.53 0.937 . . . . 0.0 113.53 -177.462 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 7' ' ' CYS . . . . . 0.451 ' HB2' HD11 ' D' ' 11' ' ' LEU . 41.7 t -78.19 -17.1 57.22 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 122.059 -0.4 . . . . 0.0 110.725 -179.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.4 -59.87 2.6 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.558 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 9' ' ' SER . . . . . 0.409 ' O ' ' HB ' ' C' ' 10' ' ' ILE . 46.6 m -149.39 31.79 0.74 Allowed 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.068 0.395 . . . . 0.0 112.068 -179.251 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . 0.801 HD13 ' HB3' ' L' ' 3' ' ' ASN . 1.8 mp 70.22 142.28 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 178.726 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 11' ' ' CYS . . . . . 0.542 ' SG ' ' HG2' ' C' ' 5' ' ' GLN . 95.7 m -104.12 160.73 14.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.276 178.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 4.9 m -68.47 159.13 32.29 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.463 179.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 6.9 tt -59.86 -56.02 26.9 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.645 0.26 . . . . 0.0 110.842 -179.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 11.3 p90 -64.76 -19.74 65.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.804 0.335 . . . . 0.0 111.303 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -71.21 -37.23 72.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.053 -0.522 . . . . 0.0 109.804 179.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 16' ' ' LEU . . . . . 0.544 ' HB3' HD23 ' D' ' 15' ' ' LEU . 90.3 mt -69.54 -29.0 66.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.282 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 79.0 tt0 -65.25 -20.3 66.36 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.08 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -71.89 -6.42 41.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.042 0.449 . . . . 0.0 110.82 179.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -109.38 -103.36 0.37 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 178.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 40.1 m 52.35 -126.44 2.42 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 178.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.247 0.953 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 48.9 t80 . . . . . 0 N--CA 1.477 0.92 0 CA-C-O 120.241 0.067 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 2' ' ' VAL . . . . . 0.417 HG23 ' H ' ' D' ' 3' ' ' ASN . 21.6 m 40.83 -125.41 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 123.975 0.91 . . . . 0.0 112.73 -179.297 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 3' ' ' ASN . . . . . 0.772 ' HB3' HD13 ' G' ' 10' ' ' ILE . 21.9 t-20 -164.99 164.34 20.6 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 120.45 0.167 . . . . 0.0 110.573 -178.682 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 4' ' ' GLN . . . . . 0.51 ' HG3' HG11 ' C' ' 3' ' ' VAL . 20.6 tt0 -51.21 -29.89 15.52 Favored 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 123.246 0.618 . . . . 0.0 110.8 178.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 5' ' ' HIS . . . . . . . . . . . . . 70.4 t60 -53.66 -20.73 5.7 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.444 179.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 6' ' ' LEU . . . . . 0.665 HD21 ' H4 ' ' G' ' 22' ' ' IPH . 23.0 mt -114.68 -39.93 3.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.765 178.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 7' ' ' CYS . . . . . . . . . . . . . 43.2 t -66.7 -43.82 83.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.408 -179.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.83 -35.76 92.43 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 121.073 -0.584 . . . . 0.0 112.941 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 9' ' ' SER . . . . . 0.514 ' O ' HG22 ' D' ' 12' ' ' VAL . 1.7 m -60.78 -33.69 73.36 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.782 0.325 . . . . 0.0 111.833 -179.594 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 10' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -88.33 -7.28 56.95 Favored 'General case' 0 CA--C 1.511 -0.526 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 -178.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 11' ' ' LEU . . . . . 0.577 ' CD2' ' H5 ' ' C' ' 22' ' ' IPH . 48.5 mt -73.16 -18.03 61.31 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 178.009 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . 0.898 HG21 HG21 ' B' ' 12' ' ' VAL . 4.8 m -71.06 -34.81 56.53 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.402 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.539 179.216 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -56.2 -42.59 77.41 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-O 121.879 0.847 . . . . 0.0 108.852 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.66 -50.75 40.99 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.356 -1.293 . . . . 0.0 110.748 178.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 15' ' ' LEU . . . . . 0.544 HD23 ' HB3' ' C' ' 16' ' ' LEU . 91.7 mt -57.45 -57.04 14.41 Favored 'General case' 0 C--O 1.225 -0.21 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.352 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 16' ' ' TYR . . . . . 0.459 ' HB2' ' O ' ' D' ' 12' ' ' VAL . 1.0 OUTLIER -46.78 -44.4 19.08 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 123.807 0.843 . . . . 0.0 111.656 -179.507 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -62.59 -46.25 89.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.231 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 58.8 t -70.26 -39.7 77.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 19' ' ' CYS . . . . . 0.457 ' HB3' ' HB2' ' D' ' 22' ' ' ARG . 70.1 m -63.04 -27.82 69.67 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.223 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.93 -110.38 3.03 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.72 -0.752 . . . . 0.0 111.86 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -93.38 -5.01 50.43 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.586 0.231 . . . . 0.0 111.117 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 22' ' ' ARG . . . . . 0.457 ' HB2' ' HB3' ' D' ' 19' ' ' CYS . 78.9 mtt180 -81.15 167.01 20.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.029 0.442 . . . . 0.0 110.351 179.021 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 23' ' ' GLY . . . . . 0.472 ' HA3' ' HD2' ' B' ' 28' ' ' PRO . . . -103.04 -152.54 23.76 Favored Glycine 0 N--CA 1.44 -1.08 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 176.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 24' ' ' PHE . . . . . 0.792 ' CZ ' ' HB ' ' D' ' 12' ' ' VAL . 2.8 p90 -166.5 141.26 4.31 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.602 0.715 . . . . 0.0 111.656 178.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 25' ' ' PHE . . . . . 0.672 ' HA ' ' HA ' ' B' ' 25' ' ' PHE . 3.0 p90 -99.13 90.55 4.63 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 107.818 -1.178 . . . . 0.0 107.818 177.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 26' ' ' TYR . . . . . 0.444 ' OH ' HD12 ' D' ' 11' ' ' LEU . 8.0 t80 -82.51 92.32 7.06 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.608 -178.097 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 27' ' ' THR . . . . . . . . . . . . . 17.3 p -110.71 94.47 19.84 Favored Pre-proline 0 C--N 1.319 -0.749 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.796 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 28' ' ' PRO . . . . . 0.477 ' HD2' ' HA3' ' B' ' 23' ' ' GLY . 82.7 Cg_endo -78.16 53.71 4.61 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.843 2.362 . . . . 0.0 112.154 -179.305 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 43.7 tttm -155.35 141.04 18.01 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.573 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 8.1 m . . . . . 0 C--O 1.254 1.307 0 CA-C-O 118.227 -0.892 . . . . 0.0 109.258 179.12 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.594 0 N-CA-C 111.642 -0.583 . . . . 0.0 111.642 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' E' E ' 2' ' ' ILE . . . . . . . . . . . . . 10.9 tt -59.17 -38.18 72.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -178.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 3' ' ' VAL . . . . . 0.52 HG11 ' HG3' ' F' ' 4' ' ' GLN . 48.1 t -66.41 -46.9 85.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.067 0.46 . . . . 0.0 110.821 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 4' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -66.17 -13.66 60.57 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.652 -0.703 . . . . 0.0 112.116 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 5' ' ' GLN . . . . . 0.552 ' HG2' ' SG ' ' E' ' 11' ' ' CYS . 35.5 tt0 -106.84 -36.98 6.51 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -178.164 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 6' ' ' CYS . . . . . 0.606 ' HB3' ' H6 ' ' E' ' 22' ' ' IPH . 84.8 m -98.88 -31.48 11.82 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 113.47 0.915 . . . . 0.0 113.47 -177.381 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 7' ' ' CYS . . . . . 0.454 ' HB2' HD11 ' F' ' 11' ' ' LEU . 42.0 t -79.23 -16.13 56.98 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.114 0.483 . . . . 0.0 110.523 -179.598 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.31 -59.17 2.91 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.582 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 9' ' ' SER . . . . . 0.423 ' O ' ' HB ' ' E' ' 10' ' ' ILE . 58.1 m -149.43 30.87 0.75 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -179.51 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 10' ' ' ILE . . . . . 0.784 HD13 ' HB3' ' J' ' 3' ' ' ASN . 1.7 mp 70.82 141.7 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 CA-C-O 121.478 0.656 . . . . 0.0 112.725 178.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 11' ' ' CYS . . . . . 0.552 ' SG ' ' HG2' ' E' ' 5' ' ' GLN . 98.0 m -103.49 161.61 13.73 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.225 178.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 12' ' ' SER . . . . . . . . . . . . . 8.0 m -69.3 159.82 32.39 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.225 179.022 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 7.0 tt -60.72 -55.82 28.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.611 0.243 . . . . 0.0 110.768 -179.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 12.6 p90 -65.02 -19.55 66.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.858 0.361 . . . . 0.0 111.04 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -71.0 -38.4 72.68 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.905 179.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 16' ' ' LEU . . . . . 0.533 ' HB3' HD23 ' F' ' 15' ' ' LEU . 92.6 mt -68.51 -28.54 67.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.249 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 17' ' ' GLU . . . . . . . . . . . . . 75.1 tt0 -65.99 -18.26 65.22 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.049 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 18' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -74.25 -4.19 34.57 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.229 0.538 . . . . 0.0 110.627 179.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 19' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -111.43 -103.57 0.39 Allowed 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 178.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 20' ' ' CYS . . . . . 0.458 ' HB3' ' H ' ' E' ' 21' ' ' ASN . 37.1 m 52.4 -126.29 2.41 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 178.65 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 21' ' ' ASN . . . . . 0.458 ' H ' ' HB3' ' E' ' 20' ' ' CYS . 0.7 OUTLIER . . . . . 0 C--O 1.247 0.948 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 -179.643 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 1' ' ' PHE . . . . . . . . . . . . . 50.0 t80 . . . . . 0 N--CA 1.482 1.149 0 CA-C-O 120.547 0.213 . . . . 0.0 110.591 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' F' F ' 2' ' ' VAL . . . . . 0.409 HG23 ' H ' ' F' ' 3' ' ' ASN . 21.7 m 39.8 -125.63 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 C-N-CA 123.919 0.888 . . . . 0.0 112.9 -179.496 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 3' ' ' ASN . . . . . 0.825 ' HB3' HD13 ' A' ' 10' ' ' ILE . 20.2 t-20 -164.52 164.13 21.85 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 120.5 0.19 . . . . 0.0 110.636 -178.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 4' ' ' GLN . . . . . 0.52 ' HG3' HG11 ' E' ' 3' ' ' VAL . 18.0 tt0 -51.42 -29.12 14.88 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 123.286 0.634 . . . . 0.0 110.883 178.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 5' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -54.88 -19.96 7.75 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.3 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 6' ' ' LEU . . . . . 0.683 HD21 ' H4 ' ' A' ' 22' ' ' IPH . 22.4 mt -114.79 -39.9 3.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.877 0.37 . . . . 0.0 110.799 178.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 7' ' ' CYS . . . . . . . . . . . . . 42.4 t -67.16 -43.51 82.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.369 -179.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.74 -35.85 92.5 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.921 -0.657 . . . . 0.0 113.036 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 9' ' ' SER . . . . . 0.53 ' O ' HG22 ' F' ' 12' ' ' VAL . 1.5 m -60.79 -33.63 73.27 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.898 0.38 . . . . 0.0 111.734 -179.548 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 10' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -88.28 -7.12 57.26 Favored 'General case' 0 CA--C 1.512 -0.517 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 -178.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 11' ' ' LEU . . . . . 0.577 ' CD2' ' H5 ' ' E' ' 22' ' ' IPH . 45.0 mt -73.59 -17.57 61.16 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 177.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 12' ' ' VAL . . . . . 0.877 HG21 HG21 ' H' ' 12' ' ' VAL . 5.0 m -71.48 -34.89 54.71 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.438 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.631 179.222 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 13' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -56.05 -42.59 76.83 Favored 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.78 -50.4 43.55 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.505 -1.225 . . . . 0.0 110.864 178.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 15' ' ' LEU . . . . . 0.533 HD23 ' HB3' ' E' ' 16' ' ' LEU . 90.9 mt -57.98 -57.05 14.53 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.194 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 16' ' ' TYR . . . . . 0.465 ' HB2' ' O ' ' F' ' 12' ' ' VAL . 1.0 OUTLIER -46.59 -44.52 18.18 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 123.789 0.835 . . . . 0.0 111.633 -179.562 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -62.78 -45.86 90.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.255 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 62.4 t -70.71 -38.13 71.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.019 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 19' ' ' CYS . . . . . 0.447 ' HB3' ' HB2' ' F' ' 22' ' ' ARG . 79.6 m -64.8 -27.81 69.14 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.149 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.94 -110.17 2.96 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.002 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 21' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -94.82 -2.73 50.26 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.788 0.328 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 22' ' ' ARG . . . . . 0.447 ' HB2' ' HB3' ' F' ' 19' ' ' CYS . 76.9 mtt180 -83.08 167.58 17.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.228 -0.442 . . . . 0.0 109.931 179.027 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 23' ' ' GLY . . . . . 0.463 ' HA3' ' HD2' ' H' ' 28' ' ' PRO . . . -104.13 -152.94 22.79 Favored Glycine 0 N--CA 1.442 -0.902 0 N-CA-C 109.602 -1.399 . . . . 0.0 109.602 177.062 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 24' ' ' PHE . . . . . 0.781 ' CZ ' ' HB ' ' F' ' 12' ' ' VAL . 2.8 p90 -166.07 141.13 4.65 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.625 0.726 . . . . 0.0 111.713 178.761 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 25' ' ' PHE . . . . . 0.671 ' HA ' ' HA ' ' H' ' 25' ' ' PHE . 2.8 p90 -99.2 90.41 4.57 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 107.702 -1.221 . . . . 0.0 107.702 177.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 26' ' ' TYR . . . . . 0.418 ' HD1' ' HD3' ' F' ' 28' ' ' PRO . 7.9 t80 -82.51 92.75 7.13 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.454 -178.217 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 27' ' ' THR . . . . . . . . . . . . . 18.0 p -111.41 94.46 22.57 Favored Pre-proline 0 C--N 1.319 -0.733 0 CA-C-N 115.177 -0.92 . . . . 0.0 109.56 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 28' ' ' PRO . . . . . 0.486 ' HD2' ' HA3' ' H' ' 23' ' ' GLY . 75.5 Cg_endo -77.83 50.8 3.38 Favored 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 122.928 2.418 . . . . 0.0 112.398 -179.018 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 29' ' ' LYS . . . . . . . . . . . . . 42.8 tttm -153.25 139.0 17.93 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.066 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 30' ' ' THR . . . . . . . . . . . . . 10.2 m . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.199 -0.905 . . . . 0.0 109.432 179.234 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' G' G ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.733 0 N-CA-C 111.737 -0.545 . . . . 0.0 111.737 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' G' G ' 2' ' ' ILE . . . . . . . . . . . . . 10.8 tt -61.36 -37.86 78.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 111.865 0.321 . . . . 0.0 111.865 -178.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 3' ' ' VAL . . . . . 0.489 HG11 ' HG3' ' H' ' 4' ' ' GLN . 47.1 t -66.67 -47.52 82.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.983 0.421 . . . . 0.0 110.535 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 4' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -65.68 -13.43 59.21 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.707 -0.678 . . . . 0.0 112.043 -179.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 5' ' ' GLN . . . . . 0.553 ' HG2' ' SG ' ' G' ' 11' ' ' CYS . 35.3 tt0 -106.51 -37.65 6.41 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -178.275 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 6' ' ' CYS . . . . . 0.627 ' HB3' ' H6 ' ' G' ' 22' ' ' IPH . 86.1 m -98.64 -31.4 11.95 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 113.512 0.931 . . . . 0.0 113.512 -177.32 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 7' ' ' CYS . . . . . 0.459 ' HB2' HD11 ' H' ' 11' ' ' LEU . 41.5 t -78.82 -16.47 57.07 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.512 -179.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.55 -60.23 2.38 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.631 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 9' ' ' SER . . . . . 0.445 ' O ' ' HB ' ' G' ' 10' ' ' ILE . 66.9 m -148.55 30.43 0.83 Allowed 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -179.51 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 10' ' ' ILE . . . . . 0.772 HD13 ' HB3' ' D' ' 3' ' ' ASN . 1.7 mp 71.51 141.9 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 CA-C-O 121.644 0.735 . . . . 0.0 112.908 178.706 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 11' ' ' CYS . . . . . 0.553 ' SG ' ' HG2' ' G' ' 5' ' ' GLN . 98.8 m -103.69 161.97 13.47 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.137 179.151 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 12' ' ' SER . . . . . . . . . . . . . 8.4 m -69.3 160.5 31.12 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.071 179.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 13' ' ' LEU . . . . . . . . . . . . . 7.0 tt -61.12 -56.26 22.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.729 0.3 . . . . 0.0 110.571 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 11.0 p90 -64.42 -19.48 65.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.89 0.376 . . . . 0.0 111.181 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -71.72 -36.64 70.57 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.106 0.479 . . . . 0.0 110.026 179.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 16' ' ' LEU . . . . . 0.535 ' HB3' HD23 ' H' ' 15' ' ' LEU . 91.3 mt -70.08 -28.38 65.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.075 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 17' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -66.12 -18.43 65.34 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 120.994 0.426 . . . . 0.0 111.136 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 18' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -73.58 -5.05 37.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.123 0.487 . . . . 0.0 110.672 179.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 19' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -110.62 -103.53 0.39 Allowed 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 178.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 20' ' ' CYS . . . . . 0.425 ' HB3' ' H ' ' G' ' 21' ' ' ASN . 36.3 m 52.33 -126.67 2.43 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 178.466 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 21' ' ' ASN . . . . . 0.425 ' H ' ' HB3' ' G' ' 20' ' ' CYS . 0.6 OUTLIER . . . . . 0 C--O 1.242 0.685 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 -179.481 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 1' ' ' PHE . . . . . . . . . . . . . 50.3 t80 . . . . . 0 N--CA 1.481 1.12 0 CA-C-O 120.179 0.037 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' H' H ' 2' ' ' VAL . . . . . . . . . . . . . 21.8 m 40.43 -125.62 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 123.978 0.911 . . . . 0.0 112.904 -179.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 3' ' ' ASN . . . . . 0.788 ' HB3' HD13 ' K' ' 10' ' ' ILE . 19.6 t-20 -164.77 164.21 21.18 Favored 'General case' 0 C--O 1.236 0.35 0 O-C-N 122.414 -0.178 . . . . 0.0 110.651 -178.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 4' ' ' GLN . . . . . 0.489 ' HG3' HG11 ' G' ' 3' ' ' VAL . 20.9 tt0 -51.29 -29.69 15.64 Favored 'General case' 0 N--CA 1.462 0.139 0 C-N-CA 123.283 0.633 . . . . 0.0 110.89 178.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 5' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -54.05 -20.31 6.23 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.575 179.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 6' ' ' LEU . . . . . 0.677 HD21 ' H4 ' ' K' ' 22' ' ' IPH . 22.7 mt -114.63 -40.4 3.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.556 178.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 7' ' ' CYS . . . . . . . . . . . . . 46.6 t -66.15 -44.35 84.39 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.741 0.305 . . . . 0.0 111.417 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.27 -35.84 92.18 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 121.048 -0.596 . . . . 0.0 113.046 -179.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 9' ' ' SER . . . . . 0.512 ' O ' HG22 ' H' ' 12' ' ' VAL . 1.6 m -60.97 -33.48 73.28 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.797 0.332 . . . . 0.0 111.774 -179.619 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 10' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -88.76 -7.02 57.0 Favored 'General case' 0 CA--C 1.511 -0.549 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -178.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 11' ' ' LEU . . . . . 0.577 ' CD2' ' H5 ' ' G' ' 22' ' ' IPH . 46.5 mt -73.06 -17.97 61.37 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 177.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 12' ' ' VAL . . . . . 0.877 HG21 HG21 ' F' ' 12' ' ' VAL . 5.0 m -71.25 -34.82 55.64 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.398 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.7 179.299 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 13' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -56.2 -42.3 76.95 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-O 121.943 0.878 . . . . 0.0 108.868 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.13 -50.59 39.06 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 114.408 -1.269 . . . . 0.0 110.896 178.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 15' ' ' LEU . . . . . 0.535 HD23 ' HB3' ' G' ' 16' ' ' LEU . 89.4 mt -57.47 -56.81 17.02 Favored 'General case' 0 C--O 1.225 -0.186 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.24 179.766 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 16' ' ' TYR . . . . . 0.475 ' HB2' ' O ' ' H' ' 12' ' ' VAL . 1.0 OUTLIER -47.24 -43.77 22.17 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 123.768 0.827 . . . . 0.0 111.745 -179.372 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -63.4 -45.65 90.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.228 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 58.2 t -70.57 -38.68 74.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.136 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 19' ' ' CYS . . . . . 0.464 ' HB3' ' HB2' ' H' ' 22' ' ' ARG . 69.0 m -64.7 -26.01 68.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.241 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.0 -108.45 2.53 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.521 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 21' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -95.78 -4.57 43.68 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.728 0.299 . . . . 0.0 110.869 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 22' ' ' ARG . . . . . 0.464 ' HB2' ' HB3' ' H' ' 19' ' ' CYS . 78.5 mtt180 -81.5 167.57 19.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.163 179.16 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 23' ' ' GLY . . . . . 0.486 ' HA3' ' HD2' ' F' ' 28' ' ' PRO . . . -104.44 -153.28 22.59 Favored Glycine 0 N--CA 1.442 -0.963 0 N-CA-C 109.649 -1.381 . . . . 0.0 109.649 177.315 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 24' ' ' PHE . . . . . 0.78 ' CZ ' ' HB ' ' H' ' 12' ' ' VAL . 2.9 p90 -165.78 141.34 4.98 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 121.692 0.758 . . . . 0.0 111.624 178.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 25' ' ' PHE . . . . . 0.671 ' HA ' ' HA ' ' F' ' 25' ' ' PHE . 2.3 p90 -99.36 90.46 4.55 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 178.063 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 26' ' ' TYR . . . . . 0.437 ' OH ' HD12 ' H' ' 11' ' ' LEU . 8.1 t80 -82.38 92.54 7.02 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.517 -178.05 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 27' ' ' THR . . . . . . . . . . . . . 19.0 p -110.9 95.1 22.48 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.615 179.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 28' ' ' PRO . . . . . 0.463 ' HD2' ' HA3' ' F' ' 23' ' ' GLY . 76.6 Cg_endo -78.41 52.18 4.03 Favored 'Trans proline' 0 N--CA 1.464 -0.216 0 C-N-CA 122.795 2.33 . . . . 0.0 112.285 -179.351 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 29' ' ' LYS . . . . . . . . . . . . . 44.5 tttm -153.47 143.52 22.15 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.282 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 30' ' ' THR . . . . . . . . . . . . . 6.4 m . . . . . 0 C--O 1.253 1.247 0 CA-C-O 118.114 -0.946 . . . . 0.0 108.891 178.93 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' I' I ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.998 0 N-CA-C 111.803 -0.519 . . . . 0.0 111.803 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' I' I ' 2' ' ' ILE . . . . . . . . . . . . . 10.9 tt -61.49 -38.24 79.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.886 0.374 . . . . 0.0 111.935 -179.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 3' ' ' VAL . . . . . 0.488 HG11 ' HG3' ' J' ' 4' ' ' GLN . 46.3 t -66.42 -48.1 81.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.05 0.452 . . . . 0.0 110.468 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' I' I ' 4' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -65.62 -12.76 56.13 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.916 -0.583 . . . . 0.0 112.237 -179.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 5' ' ' GLN . . . . . 0.544 ' HG2' ' SG ' ' I' ' 11' ' ' CYS . 35.0 tt0 -107.03 -37.35 6.34 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -178.273 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' I' I ' 6' ' ' CYS . . . . . 0.617 ' HB3' ' H6 ' ' I' ' 22' ' ' IPH . 81.5 m -98.36 -32.63 11.42 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 -177.465 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' I' I ' 7' ' ' CYS . . . . . 0.431 ' HB2' HD11 ' J' ' 11' ' ' LEU . 43.2 t -77.9 -17.32 57.43 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.944 0.402 . . . . 0.0 110.618 -179.624 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' I' I ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.48 -58.67 3.46 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.782 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' I' I ' 9' ' ' SER . . . . . 0.433 ' O ' ' HB ' ' I' ' 10' ' ' ILE . 49.5 m -149.98 30.55 0.71 Allowed 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -179.378 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' I' I ' 10' ' ' ILE . . . . . 0.824 HD13 ' HB3' ' B' ' 3' ' ' ASN . 1.7 mp 70.75 141.16 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 CA-C-O 121.631 0.729 . . . . 0.0 112.888 178.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' I' I ' 11' ' ' CYS . . . . . 0.544 ' SG ' ' HG2' ' I' ' 5' ' ' GLN . 98.2 m -102.89 161.2 13.94 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.466 179.064 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' I' I ' 12' ' ' SER . . . . . . . . . . . . . 6.5 m -68.55 159.46 31.83 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.252 178.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 13' ' ' LEU . . . . . . . . . . . . . 7.1 tt -60.45 -55.97 27.08 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.841 0.353 . . . . 0.0 110.699 -179.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 12.2 p90 -64.89 -19.95 66.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.912 0.387 . . . . 0.0 110.935 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -70.87 -37.38 73.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.998 179.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 16' ' ' LEU . . . . . 0.53 ' HB3' HD23 ' J' ' 15' ' ' LEU . 91.9 mt -69.78 -28.01 65.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.183 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' I' I ' 17' ' ' GLU . . . . . . . . . . . . . 75.0 tt0 -66.59 -17.58 64.9 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.027 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 18' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -74.5 -5.01 40.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.129 0.49 . . . . 0.0 110.501 179.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 19' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -111.03 -103.62 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 178.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 20' ' ' CYS . . . . . . . . . . . . . 40.1 m 52.75 -126.35 2.43 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 178.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.246 0.917 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 -179.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 1' ' ' PHE . . . . . . . . . . . . . 50.0 t80 . . . . . 0 N--CA 1.48 1.044 0 CA-C-O 120.27 0.081 . . . . 0.0 111.071 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' J' J ' 2' ' ' VAL . . . . . 0.403 HG23 ' H ' ' J' ' 3' ' ' ASN . 19.7 m 40.21 -125.72 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 123.969 0.908 . . . . 0.0 112.552 -179.399 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' J' J ' 3' ' ' ASN . . . . . 0.784 ' HB3' HD13 ' E' ' 10' ' ' ILE . 19.5 t-20 -164.53 164.1 21.83 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 110.53 -0.174 . . . . 0.0 110.53 -178.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' J' J ' 4' ' ' GLN . . . . . 0.488 ' HG3' HG11 ' I' ' 3' ' ' VAL . 20.5 tt0 -50.47 -30.35 12.49 Favored 'General case' 0 N--CA 1.463 0.201 0 C-N-CA 123.464 0.706 . . . . 0.0 110.824 178.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' J' J ' 5' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -53.75 -20.55 5.73 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.424 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 6' ' ' LEU . . . . . 0.67 HD21 ' H4 ' ' E' ' 22' ' ' IPH . 22.9 mt -114.44 -40.52 3.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.684 178.725 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' J' J ' 7' ' ' CYS . . . . . . . . . . . . . 42.5 t -66.15 -43.77 86.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.614 -0.267 . . . . 0.0 111.571 -179.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.92 -35.53 92.16 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.978 -0.63 . . . . 0.0 112.946 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 9' ' ' SER . . . . . 0.515 ' O ' HG22 ' J' ' 12' ' ' VAL . 1.7 m -61.03 -33.93 74.05 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.768 0.318 . . . . 0.0 111.676 -179.462 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' J' J ' 10' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -88.14 -7.06 57.48 Favored 'General case' 0 CA--C 1.511 -0.556 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -178.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 11' ' ' LEU . . . . . 0.573 ' CD2' ' H5 ' ' I' ' 22' ' ' IPH . 46.2 mt -72.93 -18.16 61.42 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 177.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' J' J ' 12' ' ' VAL . . . . . 0.876 HG21 HG21 ' L' ' 12' ' ' VAL . 4.9 m -70.99 -35.34 58.94 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.492 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.794 179.145 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' J' J ' 13' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -55.68 -42.47 75.18 Favored 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.96 -50.73 38.91 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.403 -1.271 . . . . 0.0 110.958 178.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 15' ' ' LEU . . . . . 0.53 HD23 ' HB3' ' I' ' 16' ' ' LEU . 91.1 mt -57.55 -56.54 20.6 Favored 'General case' 0 C--O 1.224 -0.27 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.267 179.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' J' J ' 16' ' ' TYR . . . . . 0.458 ' HB2' ' O ' ' J' ' 12' ' ' VAL . 1.1 t80 -47.1 -44.22 21.1 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 123.738 0.815 . . . . 0.0 111.729 -179.444 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -63.52 -44.89 92.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.249 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 57.8 t -71.68 -37.19 62.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.873 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 19' ' ' CYS . . . . . 0.452 ' HB3' ' HB2' ' J' ' 22' ' ' ARG . 76.4 m -66.09 -25.86 67.21 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.281 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' J' J ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.87 -108.99 2.66 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 121.002 -0.618 . . . . 0.0 112.374 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 21' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -95.42 -3.61 46.68 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.849 0.357 . . . . 0.0 110.894 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 22' ' ' ARG . . . . . 0.452 ' HB2' ' HB3' ' J' ' 19' ' ' CYS . 77.8 mtt180 -82.16 167.78 18.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.129 0.49 . . . . 0.0 109.976 179.06 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' J' J ' 23' ' ' GLY . . . . . 0.46 ' HA3' ' HD2' ' L' ' 28' ' ' PRO . . . -104.07 -153.05 22.92 Favored Glycine 0 N--CA 1.44 -1.056 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 177.015 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' J' J ' 24' ' ' PHE . . . . . 0.771 ' CZ ' ' HB ' ' J' ' 12' ' ' VAL . 2.9 p90 -166.15 141.04 4.56 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.593 0.711 . . . . 0.0 111.503 178.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' J' J ' 25' ' ' PHE . . . . . 0.658 ' HA ' ' HA ' ' L' ' 25' ' ' PHE . 2.8 p90 -99.14 90.21 4.51 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 178.128 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' J' J ' 26' ' ' TYR . . . . . 0.442 ' OH ' HD12 ' J' ' 11' ' ' LEU . 8.0 t80 -82.34 92.6 7.01 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.564 -178.107 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' J' J ' 27' ' ' THR . . . . . . . . . . . . . 16.7 p -110.9 93.99 18.95 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.744 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 28' ' ' PRO . . . . . 0.498 ' HD2' ' HA3' ' L' ' 23' ' ' GLY . 82.4 Cg_endo -77.76 52.71 4.08 Favored 'Trans proline' 0 C--O 1.235 0.365 0 C-N-CA 122.758 2.306 . . . . 0.0 112.296 -179.37 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' J' J ' 29' ' ' LYS . . . . . . . . . . . . . 43.9 tttm -154.09 142.58 20.7 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.509 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 30' ' ' THR . . . . . . . . . . . . . 14.2 m . . . . . 0 C--O 1.253 1.27 0 CA-C-O 118.126 -0.94 . . . . 0.0 109.358 179.33 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.582 0 N-CA-C 112.615 -0.194 . . . . 0.0 112.615 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' K' K ' 2' ' ' ILE . . . . . . . . . . . . . 11.0 tt -60.69 -38.54 78.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.729 0.299 . . . . 0.0 111.607 -178.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' K' K ' 3' ' ' VAL . . . . . 0.502 HG11 ' HG3' ' L' ' 4' ' ' GLN . 46.3 t -66.06 -47.71 84.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.02 0.438 . . . . 0.0 110.836 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' K' K ' 4' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -65.93 -13.35 59.58 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.758 -0.655 . . . . 0.0 112.1 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' K' K ' 5' ' ' GLN . . . . . 0.548 ' HG2' ' SG ' ' K' ' 11' ' ' CYS . 34.3 tt0 -106.33 -37.95 6.38 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -178.412 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' K' K ' 6' ' ' CYS . . . . . 0.62 ' HB3' ' H6 ' ' K' ' 22' ' ' IPH . 83.5 m -97.71 -33.24 11.37 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 113.42 0.896 . . . . 0.0 113.42 -177.421 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' K' K ' 7' ' ' CYS . . . . . 0.433 ' HB2' HD11 ' L' ' 11' ' ' LEU . 43.2 t -77.09 -18.01 58.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 121.984 -0.447 . . . . 0.0 110.614 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' K' K ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -69.32 -58.89 3.43 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' K' K ' 9' ' ' SER . . . . . 0.419 ' O ' ' HB ' ' K' ' 10' ' ' ILE . 50.1 m -150.32 31.74 0.66 Allowed 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -179.364 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' K' K ' 10' ' ' ILE . . . . . 0.788 HD13 ' HB3' ' H' ' 3' ' ' ASN . 1.7 mp 70.51 143.17 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 CA-C-O 121.582 0.706 . . . . 0.0 112.821 178.579 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' K' K ' 11' ' ' CYS . . . . . 0.548 ' SG ' ' HG2' ' K' ' 5' ' ' GLN . 95.9 m -104.82 162.41 13.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.917 179.269 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' K' K ' 12' ' ' SER . . . . . . . . . . . . . 6.5 m -70.35 159.26 34.46 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.234 179.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' K' K ' 13' ' ' LEU . . . . . . . . . . . . . 7.0 tt -60.01 -55.13 37.74 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.676 0.274 . . . . 0.0 110.867 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 11.3 p90 -65.88 -19.02 65.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.97 0.415 . . . . 0.0 111.153 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -71.74 -36.55 70.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.164 0.506 . . . . 0.0 109.91 179.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' K' K ' 16' ' ' LEU . . . . . 0.51 ' HB3' HD23 ' L' ' 15' ' ' LEU . 92.7 mt -70.18 -28.36 65.26 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.119 179.753 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' K' K ' 17' ' ' GLU . . . . . . . . . . . . . 76.4 tt0 -66.15 -18.38 65.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.173 -179.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' K' K ' 18' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -73.95 -5.89 43.99 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.15 0.5 . . . . 0.0 110.71 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' K' K ' 19' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -109.72 -102.73 0.38 Allowed 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 178.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' K' K ' 20' ' ' CYS . . . . . 0.447 ' HB3' ' H ' ' K' ' 21' ' ' ASN . 36.3 m 51.9 -126.35 2.39 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 178.571 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' K' K ' 21' ' ' ASN . . . . . 0.447 ' H ' ' HB3' ' K' ' 20' ' ' CYS . 0.7 OUTLIER . . . . . 0 C--O 1.246 0.893 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 -179.391 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' L' L ' 1' ' ' PHE . . . . . . . . . . . . . 50.3 t80 . . . . . 0 N--CA 1.481 1.083 0 N-CA-C 111.254 0.094 . . . . 0.0 111.254 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' L' L ' 2' ' ' VAL . . . . . . . . . . . . . 20.2 m 40.97 -126.29 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 124.089 0.956 . . . . 0.0 112.595 -179.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' L' L ' 3' ' ' ASN . . . . . 0.801 ' HB3' HD13 ' C' ' 10' ' ' ILE . 20.4 t-20 -163.98 164.64 23.09 Favored 'General case' 0 C--O 1.237 0.396 0 O-C-N 122.269 -0.269 . . . . 0.0 110.671 -178.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' L' L ' 4' ' ' GLN . . . . . 0.502 ' HG3' HG11 ' K' ' 3' ' ' VAL . 20.8 tt0 -51.33 -29.71 16.08 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 123.312 0.645 . . . . 0.0 110.955 178.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' L' L ' 5' ' ' HIS . . . . . . . . . . . . . 70.9 t60 -54.3 -20.18 6.68 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.448 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' L' L ' 6' ' ' LEU . . . . . 0.667 HD21 ' H4 ' ' C' ' 22' ' ' IPH . 22.9 mt -114.63 -40.39 3.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.618 178.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' L' L ' 7' ' ' CYS . . . . . . . . . . . . . 43.5 t -66.42 -44.14 83.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.594 -179.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' L' L ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.47 -35.67 92.06 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 121.026 -0.607 . . . . 0.0 113.02 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' L' L ' 9' ' ' SER . . . . . 0.516 ' O ' HG22 ' L' ' 12' ' ' VAL . 1.6 m -61.01 -33.24 72.95 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.887 0.375 . . . . 0.0 111.834 -179.577 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' L' L ' 10' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -88.57 -7.59 56.18 Favored 'General case' 0 CA--C 1.51 -0.566 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -178.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' L' L ' 11' ' ' LEU . . . . . 0.587 ' CD2' ' H5 ' ' K' ' 22' ' ' IPH . 45.4 mt -72.85 -17.84 61.5 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 177.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' L' L ' 12' ' ' VAL . . . . . 0.876 HG21 HG21 ' J' ' 12' ' ' VAL . 5.0 m -71.34 -34.94 55.58 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.585 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.637 179.135 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' L' L ' 13' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -55.98 -42.77 76.81 Favored 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' L' L ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.48 -50.72 42.71 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.444 -1.253 . . . . 0.0 110.849 178.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' L' L ' 15' ' ' LEU . . . . . 0.51 HD23 ' HB3' ' K' ' 16' ' ' LEU . 90.4 mt -57.72 -56.65 19.22 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.294 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' L' L ' 16' ' ' TYR . . . . . 0.459 ' HB2' ' O ' ' L' ' 12' ' ' VAL . 1.0 OUTLIER -47.32 -43.16 22.44 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.667 -179.476 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -63.93 -45.65 88.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.249 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 57.6 t -70.7 -38.03 71.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.187 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' L' L ' 19' ' ' CYS . . . . . 0.454 ' HB3' ' HB2' ' L' ' 22' ' ' ARG . 81.3 m -64.83 -27.32 68.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.227 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' L' L ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.37 -108.82 2.64 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.301 179.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' L' L ' 21' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -96.2 -3.22 44.71 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.987 0.422 . . . . 0.0 110.839 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' L' L ' 22' ' ' ARG . . . . . 0.454 ' HB2' ' HB3' ' L' ' 19' ' ' CYS . 78.3 mtt180 -82.32 167.14 18.87 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.088 178.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' L' L ' 23' ' ' GLY . . . . . 0.498 ' HA3' ' HD2' ' J' ' 28' ' ' PRO . . . -103.79 -153.43 23.38 Favored Glycine 0 N--CA 1.441 -0.969 0 N-CA-C 109.718 -1.353 . . . . 0.0 109.718 177.053 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' L' L ' 24' ' ' PHE . . . . . 0.791 ' CZ ' ' HB ' ' L' ' 12' ' ' VAL . 2.9 p90 -165.78 141.52 5.04 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.696 0.76 . . . . 0.0 111.683 178.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' L' L ' 25' ' ' PHE . . . . . 0.658 ' HA ' ' HA ' ' J' ' 25' ' ' PHE . 2.6 p90 -99.36 90.42 4.53 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 177.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' L' L ' 26' ' ' TYR . . . . . 0.431 ' OH ' HD12 ' L' ' 11' ' ' LEU . 8.4 t80 -82.43 92.45 7.03 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.584 -178.124 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' L' L ' 27' ' ' THR . . . . . . . . . . . . . 18.1 p -110.73 94.98 21.41 Favored Pre-proline 0 C--N 1.32 -0.679 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.435 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' L' L ' 28' ' ' PRO . . . . . 0.46 ' HD2' ' HA3' ' J' ' 23' ' ' GLY . 71.7 Cg_endo -77.99 50.14 3.2 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.831 2.354 . . . . 0.0 112.389 -179.167 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' L' L ' 29' ' ' LYS . . . . . . . . . . . . . 45.5 tttm -151.51 142.34 22.9 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.64 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' L' L ' 30' ' ' THR . . . . . . . . . . . . . 8.9 m . . . . . 0 C--O 1.253 1.279 0 CA-C-O 118.222 -0.894 . . . . 0.0 109.071 179.06 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' IPH . . . . . 0.683 ' H4 ' HD21 ' F' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 22' ' ' IPH . . . . . 0.667 ' H4 ' HD21 ' L' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 22' ' ' IPH . . . . . 0.67 ' H4 ' HD21 ' J' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 22' ' ' IPH . . . . . 0.665 ' H4 ' HD21 ' D' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 22' ' ' IPH . . . . . 0.656 ' H4 ' HD21 ' B' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' K' K ' 22' ' ' IPH . . . . . 0.677 ' H4 ' HD21 ' H' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.521 0 N-CA-C 111.674 -0.57 . . . . 0.0 111.674 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.74 HD11 HD11 ' B' ' 15' ' ' LEU . 7.1 tt -160.66 -45.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 O-C-N 122.609 -0.347 . . . . 0.0 111.105 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.636 HG21 ' HA ' ' B' ' 28' ' ' PRO . 21.1 t -51.91 -49.22 38.28 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.482 -179.103 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.722 ' HB2' HE21 ' B' ' 4' ' ' GLN . 31.3 tt0 -99.06 -45.76 5.82 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 120.549 -0.46 . . . . 0.0 109.97 179.298 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -44.85 -52.18 8.81 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.948 0.721 . . . . 0.0 112.948 -179.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.538 ' O ' ' HA ' ' A' ' 10' ' ' ILE . 81.6 m -81.26 -14.85 56.99 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -178.101 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.0 t -98.03 -22.7 16.12 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 120.253 -0.579 . . . . 0.0 111.326 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.523 HG23 ' H ' ' A' ' 9' ' ' SER . 11.1 t -80.27 -66.84 0.83 Allowed 'General case' 0 CA--C 1.535 0.379 0 O-C-N 121.725 -0.609 . . . . 0.0 111.343 -179.151 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.576 ' O ' ' HB ' ' A' ' 10' ' ' ILE . 29.6 m -105.53 -4.98 20.61 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 117.713 0.233 . . . . 0.0 111.145 -179.545 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.925 HG23 ' H2 ' ' A' ' 22' ' ' IPH . 34.6 mt 77.03 138.09 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 CA-C-O 121.505 0.669 . . . . 0.0 112.334 179.153 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 77.5 m -101.08 141.29 34.18 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.038 179.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.1 m -71.55 165.82 23.09 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 178.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.403 HD11 HD11 ' G' ' 13' ' ' LEU . 7.5 tt -54.38 -46.38 73.05 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.685 0.278 . . . . 0.0 110.762 -179.581 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 13.6 m-30 -63.43 -31.95 73.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.776 0.322 . . . . 0.0 111.222 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -71.37 -39.15 71.41 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.141 179.22 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.535 ' HB3' HD23 ' B' ' 15' ' ' LEU . 96.1 mt -64.42 -32.06 73.52 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.265 179.691 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -62.35 -19.44 63.35 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.817 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -74.9 -12.9 60.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.787 0.327 . . . . 0.0 110.941 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -120.05 30.15 7.15 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.468 0.652 . . . . 0.0 110.124 -179.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.7 t -102.91 177.21 4.91 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.321 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.251 1.18 0 CA-C-O 118.437 -0.792 . . . . 0.0 110.18 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . 0.442 ' N ' ' HA ' ' I' ' 8' ' ' THR . 17.3 p90 . . . . . 0 N--CA 1.481 1.107 0 N-CA-C 111.562 0.208 . . . . 0.0 111.562 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 21.6 t -78.23 74.63 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.095 0 CA-C-O 121.657 0.742 . . . . 0.0 109.566 179.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . 0.806 ' HB3' ' HB3' ' B' ' 7' ' ' CYS . 77.1 m-20 -76.46 0.26 20.43 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.683 -178.69 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . 0.722 HE21 ' HB2' ' A' ' 4' ' ' GLU . 81.9 mt-30 -66.52 -36.01 81.66 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.16 0.505 . . . . 0.0 110.415 179.403 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . 0.745 ' HB3' HD13 ' I' ' 10' ' ' ILE . 72.9 t60 -97.87 -7.82 29.52 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.754 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.568 ' HB2' ' HA ' ' B' ' 3' ' ' ASN . 77.0 mt -101.34 -76.42 0.57 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.887 179.405 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . 0.806 ' HB3' ' HB3' ' B' ' 3' ' ' ASN . 0.0 OUTLIER -64.42 -33.58 76.2 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.292 178.764 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . 0.716 ' HA2' ' HG ' ' B' ' 11' ' ' LEU . . . -55.78 -30.99 57.64 Favored Glycine 0 C--N 1.336 0.55 0 C-N-CA 121.167 -0.54 . . . . 0.0 112.269 178.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . 0.534 ' HB3' ' HG3' ' D' ' 13' ' ' GLU . 13.4 m -69.34 -7.18 34.97 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.002 0.43 . . . . 0.0 111.102 179.241 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 -114.22 -8.07 12.96 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.784 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.789 ' HA ' ' H5 ' ' A' ' 22' ' ' IPH . 70.2 mt -66.42 -33.86 76.66 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 177.352 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.55 ' O ' ' HB2' ' B' ' 16' ' ' TYR . 2.9 m -67.61 -31.68 53.57 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.413 0 CA-C-N 114.602 -1.181 . . . . 0.0 110.791 178.176 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.546 ' HG3' ' HB3' ' D' ' 9' ' ' SER . 41.2 tt0 -62.49 -39.24 92.84 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 179.556 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.66 -46.61 62.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.937 178.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.74 HD11 HD11 ' A' ' 2' ' ' ILE . 60.0 mt -58.03 -42.01 84.44 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.627 0.727 . . . . 0.0 109.895 178.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . 0.55 ' HB2' ' O ' ' B' ' 12' ' ' VAL . 1.5 t80 -53.73 -45.46 70.51 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.37 -1.286 . . . . 0.0 110.916 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.415 HD13 ' NE2' ' D' ' 5' ' ' HIS . 3.9 mm? -68.43 -45.27 72.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.139 179.635 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 65.6 t -64.0 -45.2 97.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.36 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 81.0 m -73.61 -19.35 60.89 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.115 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.09 -107.92 2.25 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.819 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -112.15 13.08 20.54 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.993 0.425 . . . . 0.0 111.116 -179.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 65.9 mtp180 -77.08 -73.43 0.29 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.321 0.581 . . . . 0.0 109.848 178.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . 0.489 ' CA ' ' HD2' ' D' ' 28' ' ' PRO . . . 138.56 -176.77 20.62 Favored Glycine 0 N--CA 1.446 -0.655 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.583 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . 0.454 ' CZ ' ' HB ' ' B' ' 12' ' ' VAL . 2.3 p90 -160.68 171.14 19.42 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.014 0.435 . . . . 0.0 110.647 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -129.43 135.83 49.16 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 178.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.456 ' OH ' ' HA ' ' A' ' 3' ' ' VAL . 3.2 t80 -140.15 107.36 5.49 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.186 -0.606 . . . . 0.0 111.458 -178.078 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . 0.617 ' HB ' ' HG2' ' B' ' 29' ' ' LYS . 15.5 p -127.53 101.42 24.31 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.307 179.406 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . 0.636 ' HA ' HG21 ' A' ' 3' ' ' VAL . 47.0 Cg_endo -70.46 -2.73 11.15 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.836 2.357 . . . . 0.0 112.529 -179.553 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.617 ' HG2' ' HB ' ' B' ' 27' ' ' THR . 0.0 OUTLIER -67.29 167.86 11.59 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 121.297 0.57 . . . . 0.0 111.078 179.535 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 14.4 m . . . . . 0 C--O 1.245 0.821 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 178.668 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.485 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 2' ' ' ILE . . . . . 0.739 HD11 HD11 ' D' ' 15' ' ' LEU . 7.4 tt -163.12 -46.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 117.024 0.412 . . . . 0.0 110.989 -179.722 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 3' ' ' VAL . . . . . 0.664 HG21 ' HA ' ' D' ' 28' ' ' PRO . 18.0 t -50.6 -49.43 25.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.777 -179.664 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 4' ' ' GLU . . . . . 0.718 ' HB2' HE21 ' D' ' 4' ' ' GLN . 33.7 tt0 -99.67 -45.05 5.9 Favored 'General case' 0 N--CA 1.443 -0.784 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.066 179.296 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -45.71 -50.58 13.54 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.098 0.777 . . . . 0.0 113.098 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 6' ' ' CYS . . . . . 0.558 ' O ' ' HA ' ' C' ' 10' ' ' ILE . 83.9 m -82.62 -15.22 52.95 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 -178.043 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 7' ' ' CYS . . . . . . . . . . . . . 46.6 t -97.21 -23.8 16.01 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.27 -0.572 . . . . 0.0 111.421 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 8' ' ' THR . . . . . 0.544 HG23 ' H ' ' C' ' 9' ' ' SER . 11.6 t -79.61 -66.78 0.83 Allowed 'General case' 0 CA--C 1.536 0.418 0 O-C-N 121.79 -0.569 . . . . 0.0 111.651 -179.032 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 9' ' ' SER . . . . . 0.546 ' O ' ' HB ' ' C' ' 10' ' ' ILE . 20.1 m -106.03 -3.42 21.63 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 117.817 0.28 . . . . 0.0 111.137 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . 0.931 HG23 ' H2 ' ' C' ' 22' ' ' IPH . 35.2 mt 76.27 140.24 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 CA-C-N 115.691 -0.686 . . . . 0.0 112.179 179.018 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 84.2 m -102.96 141.86 35.05 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.594 179.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 17.2 m -71.69 167.3 20.15 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 178.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 7.6 tt -55.56 -47.43 76.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.615 0.245 . . . . 0.0 110.638 -179.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 13.8 m-30 -62.31 -31.88 72.54 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.432 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -70.85 -40.09 72.56 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.285 178.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 16' ' ' LEU . . . . . 0.529 ' HB3' HD23 ' D' ' 15' ' ' LEU . 95.4 mt -63.57 -32.49 73.97 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.301 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -61.94 -19.8 63.13 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.819 0.342 . . . . 0.0 111.577 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -75.18 -11.39 60.07 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.935 0.398 . . . . 0.0 110.938 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -121.21 29.25 7.39 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.594 0.711 . . . . 0.0 109.915 -179.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 47.7 t -102.13 177.69 4.82 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.305 -179.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.25 1.129 0 CA-C-O 118.315 -0.85 . . . . 0.0 110.283 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 1' ' ' PHE . . . . . 0.45 ' N ' ' HA ' ' G' ' 8' ' ' THR . 18.4 p90 . . . . . 0 N--CA 1.48 1.049 0 N-CA-C 111.493 0.183 . . . . 0.0 111.493 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 2' ' ' VAL . . . . . . . . . . . . . 21.5 t -78.8 75.52 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.138 0 CA-C-O 121.485 0.659 . . . . 0.0 109.406 179.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 3' ' ' ASN . . . . . 0.774 ' HB3' ' HB3' ' D' ' 7' ' ' CYS . 79.1 m-20 -77.59 0.41 23.21 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.633 -178.521 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 4' ' ' GLN . . . . . 0.718 HE21 ' HB2' ' C' ' 4' ' ' GLU . 82.5 mt-30 -66.62 -36.03 81.61 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.318 0.58 . . . . 0.0 110.536 179.401 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 5' ' ' HIS . . . . . 0.729 ' HB3' HD13 ' G' ' 10' ' ' ILE . 72.4 t60 -97.72 -7.5 30.67 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.847 179.727 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 6' ' ' LEU . . . . . 0.577 ' HB2' ' HA ' ' D' ' 3' ' ' ASN . 80.5 mt -101.64 -76.65 0.56 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.34 -0.846 . . . . 0.0 109.868 179.323 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 7' ' ' CYS . . . . . 0.774 ' HB3' ' HB3' ' D' ' 3' ' ' ASN . 0.0 OUTLIER -64.32 -33.34 75.6 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.226 178.729 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 8' ' ' GLY . . . . . 0.732 ' HA2' ' HG ' ' D' ' 11' ' ' LEU . . . -56.1 -30.76 58.14 Favored Glycine 0 C--N 1.335 0.492 0 C-N-CA 121.11 -0.566 . . . . 0.0 112.268 178.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 9' ' ' SER . . . . . 0.546 ' HB3' ' HG3' ' B' ' 13' ' ' GLU . 11.4 m -69.61 -7.36 38.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.949 0.404 . . . . 0.0 111.034 179.254 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 10' ' ' HIS . . . . . . . . . . . . . 85.9 m-70 -113.93 -8.17 13.12 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.717 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 11' ' ' LEU . . . . . 0.803 ' HA ' ' H5 ' ' C' ' 22' ' ' IPH . 70.6 mt -66.17 -34.27 77.66 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 177.336 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . 0.548 ' O ' ' HB2' ' D' ' 16' ' ' TYR . 3.1 m -67.43 -31.84 54.6 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.423 0 CA-C-N 114.692 -1.14 . . . . 0.0 110.812 178.387 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 13' ' ' GLU . . . . . 0.534 ' HG3' ' HB3' ' B' ' 9' ' ' SER . 41.1 tt0 -62.42 -38.88 91.41 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.366 0.603 . . . . 0.0 109.387 179.642 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.03 -46.16 62.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.08 178.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 15' ' ' LEU . . . . . 0.739 HD11 HD11 ' C' ' 2' ' ' ILE . 66.0 mt -58.42 -41.93 86.1 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 121.497 0.665 . . . . 0.0 109.838 178.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 16' ' ' TYR . . . . . 0.548 ' HB2' ' O ' ' D' ' 12' ' ' VAL . 1.5 t80 -53.88 -45.44 71.06 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.538 -1.21 . . . . 0.0 110.896 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . 0.431 HD13 ' NE2' ' B' ' 5' ' ' HIS . 3.9 mm? -68.64 -45.29 72.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.926 179.614 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 71.6 t -63.96 -45.27 97.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.133 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 19' ' ' CYS . . . . . . . . . . . . . 85.0 m -73.44 -19.5 60.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.291 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.61 -110.04 3.24 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.998 -0.62 . . . . 0.0 112.549 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -108.93 10.9 26.27 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.816 0.341 . . . . 0.0 111.339 -179.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 22' ' ' ARG . . . . . . . . . . . . . 66.9 mtp180 -74.77 -73.11 0.25 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.233 0.539 . . . . 0.0 110.296 179.388 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 23' ' ' GLY . . . . . 0.508 ' CA ' ' HD2' ' B' ' 28' ' ' PRO . . . 138.23 -176.58 20.66 Favored Glycine 0 N--CA 1.446 -0.663 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.578 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 24' ' ' PHE . . . . . 0.46 ' CZ ' ' HB ' ' D' ' 12' ' ' VAL . 2.3 p90 -161.07 170.99 19.38 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.127 0.489 . . . . 0.0 110.817 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 25' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -129.15 136.73 50.57 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 177.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 26' ' ' TYR . . . . . 0.469 ' OH ' ' HA ' ' C' ' 3' ' ' VAL . 3.2 t80 -141.16 106.57 5.04 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.147 -0.621 . . . . 0.0 111.279 -178.132 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 27' ' ' THR . . . . . 0.624 ' HB ' ' HG2' ' D' ' 29' ' ' LYS . 12.1 p -127.34 101.56 24.75 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.024 179.324 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 28' ' ' PRO . . . . . 0.664 ' HA ' HG21 ' C' ' 3' ' ' VAL . 44.9 Cg_endo -70.22 -2.94 11.33 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 123.059 2.506 . . . . 0.0 112.596 -179.515 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 29' ' ' LYS . . . . . 0.624 ' HG2' ' HB ' ' D' ' 27' ' ' THR . 0.0 OUTLIER -67.03 168.44 10.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.093 179.73 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 15.1 m . . . . . 0 C--O 1.245 0.854 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 178.799 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.631 0 N-CA-C 111.871 -0.492 . . . . 0.0 111.871 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' E' E ' 2' ' ' ILE . . . . . 0.735 HD11 HD11 ' F' ' 15' ' ' LEU . 7.0 tt -160.8 -45.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.315 -0.919 0 O-C-N 122.431 -0.452 . . . . 0.0 110.945 179.723 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 3' ' ' VAL . . . . . 0.656 HG21 ' HA ' ' F' ' 28' ' ' PRO . 21.0 t -51.69 -48.82 36.88 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.684 -179.185 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 4' ' ' GLU . . . . . 0.718 ' HB2' HE21 ' F' ' 4' ' ' GLN . 34.0 tt0 -99.63 -45.1 5.89 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.339 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -45.85 -50.73 13.97 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 -179.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 6' ' ' CYS . . . . . 0.555 ' O ' ' HA ' ' E' ' 10' ' ' ILE . 84.6 m -82.92 -14.94 53.2 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 -177.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 7' ' ' CYS . . . . . . . . . . . . . 47.3 t -97.08 -23.6 16.17 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.262 -0.575 . . . . 0.0 111.332 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 8' ' ' THR . . . . . 0.574 HG23 ' H ' ' E' ' 9' ' ' SER . 9.3 t -79.56 -67.89 0.72 Allowed 'General case' 0 C--O 1.235 0.333 0 O-C-N 121.663 -0.648 . . . . 0.0 111.545 -179.356 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 9' ' ' SER . . . . . 0.574 ' H ' HG23 ' E' ' 8' ' ' THR . 23.9 m -104.38 -4.88 22.28 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 117.656 0.207 . . . . 0.0 111.186 -179.435 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 10' ' ' ILE . . . . . 0.963 HG23 ' H2 ' ' E' ' 22' ' ' IPH . 35.8 mt 76.8 138.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.286 0 CA-C-O 121.555 0.693 . . . . 0.0 112.326 179.362 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 11' ' ' CYS . . . . . . . . . . . . . 79.8 m -101.53 141.58 34.19 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.976 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 12' ' ' SER . . . . . . . . . . . . . 12.2 m -71.06 167.37 19.39 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 178.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 7.7 tt -56.43 -46.36 80.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.577 0.227 . . . . 0.0 110.44 -179.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 13.4 m-30 -63.06 -32.12 73.41 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.88 0.371 . . . . 0.0 111.315 179.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -70.73 -40.41 72.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.96 0.409 . . . . 0.0 110.213 179.192 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 16' ' ' LEU . . . . . 0.535 ' HB3' HD23 ' F' ' 15' ' ' LEU . 95.7 mt -63.04 -33.01 74.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.362 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 17' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -61.29 -21.37 63.88 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.624 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 18' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -73.52 -12.91 60.93 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.738 0.304 . . . . 0.0 110.836 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 19' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -119.62 29.5 7.56 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.546 0.688 . . . . 0.0 110.069 -179.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 20' ' ' CYS . . . . . . . . . . . . . 43.7 t -102.5 175.55 5.47 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.068 -0.969 . . . . 0.0 110.489 -179.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 21' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.525 -0.75 . . . . 0.0 110.696 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 1' ' ' PHE . . . . . 0.453 ' N ' ' HA ' ' A' ' 8' ' ' THR . 17.5 p90 . . . . . 0 N--CA 1.483 1.195 0 N-CA-C 111.665 0.246 . . . . 0.0 111.665 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 2' ' ' VAL . . . . . . . . . . . . . 21.6 t -78.3 76.27 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.135 0 CA-C-O 121.545 0.688 . . . . 0.0 109.454 179.35 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 3' ' ' ASN . . . . . 0.771 ' HB3' ' HB3' ' F' ' 7' ' ' CYS . 77.5 m-20 -77.98 -0.65 28.57 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.503 -178.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 4' ' ' GLN . . . . . 0.718 HE21 ' HB2' ' E' ' 4' ' ' GLU . 84.3 mt-30 -65.36 -36.08 82.91 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.334 0.588 . . . . 0.0 110.637 179.442 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 5' ' ' HIS . . . . . 0.713 ' HB3' HD13 ' A' ' 10' ' ' ILE . 74.6 t60 -97.68 -8.0 29.7 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.763 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 6' ' ' LEU . . . . . 0.564 ' HB2' ' HA ' ' F' ' 3' ' ' ASN . 77.3 mt -101.35 -76.95 0.55 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.735 179.359 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 7' ' ' CYS . . . . . 0.771 ' HB3' ' HB3' ' F' ' 3' ' ' ASN . 0.0 OUTLIER -63.92 -33.55 75.96 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.388 178.694 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' F' F ' 8' ' ' GLY . . . . . 0.719 ' HA2' ' HG ' ' F' ' 11' ' ' LEU . . . -55.86 -31.04 57.93 Favored Glycine 0 C--N 1.336 0.549 0 C-N-CA 121.175 -0.536 . . . . 0.0 112.216 178.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 9' ' ' SER . . . . . 0.524 ' HB3' ' HG3' ' H' ' 13' ' ' GLU . 14.0 m -69.21 -7.73 39.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.919 0.39 . . . . 0.0 111.095 179.341 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 10' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 -113.54 -8.05 13.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.777 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 11' ' ' LEU . . . . . 0.776 ' HA ' ' H5 ' ' E' ' 22' ' ' IPH . 68.1 mt -66.28 -33.92 76.82 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 107.616 -1.253 . . . . 0.0 107.616 177.506 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 12' ' ' VAL . . . . . 0.541 ' O ' ' HB2' ' F' ' 16' ' ' TYR . 3.1 m -67.59 -32.13 55.6 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.38 0 CA-C-N 114.378 -1.283 . . . . 0.0 110.849 178.213 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 13' ' ' GLU . . . . . 0.547 ' HG3' ' HB3' ' H' ' 9' ' ' SER . 41.0 tt0 -62.16 -39.07 91.42 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 179.585 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.1 -45.59 63.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.258 178.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 15' ' ' LEU . . . . . 0.735 HD11 HD11 ' E' ' 2' ' ' ILE . 61.8 mt -58.89 -41.87 88.18 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.647 178.73 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 16' ' ' TYR . . . . . 0.541 ' HB2' ' O ' ' F' ' 12' ' ' VAL . 1.5 t80 -53.58 -46.28 70.25 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.551 -1.204 . . . . 0.0 110.787 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 17' ' ' LEU . . . . . 0.415 HD13 ' NE2' ' H' ' 5' ' ' HIS . 3.9 mm? -68.14 -44.84 75.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.154 179.607 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 66.3 t -64.41 -44.38 97.08 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 CA-C-O 121.007 0.432 . . . . 0.0 111.203 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 19' ' ' CYS . . . . . . . . . . . . . 83.3 m -74.46 -19.23 60.46 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.192 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.43 -108.35 2.4 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 121.162 -0.542 . . . . 0.0 112.841 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 21' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -110.55 11.72 22.92 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.903 0.382 . . . . 0.0 111.288 -179.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 22' ' ' ARG . . . . . . . . . . . . . 66.8 mtp180 -76.05 -74.05 0.24 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.216 0.532 . . . . 0.0 110.047 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 23' ' ' GLY . . . . . 0.483 ' CA ' ' HD2' ' H' ' 28' ' ' PRO . . . 139.44 -176.53 21.02 Favored Glycine 0 N--CA 1.446 -0.693 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.626 -179.773 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 24' ' ' PHE . . . . . 0.463 ' CZ ' ' HB ' ' F' ' 12' ' ' VAL . 2.2 p90 -160.86 170.97 19.59 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.131 0.491 . . . . 0.0 110.683 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 25' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -129.56 135.19 48.28 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 178.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 26' ' ' TYR . . . . . 0.451 ' OH ' ' HA ' ' E' ' 3' ' ' VAL . 3.3 t80 -139.59 106.94 5.52 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 120.106 -0.638 . . . . 0.0 111.537 -177.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 27' ' ' THR . . . . . 0.609 ' HB ' ' HG2' ' F' ' 29' ' ' LYS . 16.8 p -127.13 101.16 25.89 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.296 179.288 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 28' ' ' PRO . . . . . 0.656 ' HA ' HG21 ' E' ' 3' ' ' VAL . 50.2 Cg_endo -70.3 -3.97 13.45 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.771 2.314 . . . . 0.0 112.517 -179.508 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 29' ' ' LYS . . . . . 0.609 ' HG2' ' HB ' ' F' ' 27' ' ' THR . 0.0 OUTLIER -65.79 168.5 7.77 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.26 179.424 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' F' F ' 30' ' ' THR . . . . . . . . . . . . . 9.6 m . . . . . 0 C--O 1.247 0.922 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 178.519 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' G' G ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.894 0 N-CA-C 111.478 -0.649 . . . . 0.0 111.478 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' G' G ' 2' ' ' ILE . . . . . 0.728 HD11 HD11 ' H' ' 15' ' ' LEU . 7.0 tt -160.37 -45.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 O-C-N 122.757 -0.261 . . . . 0.0 111.032 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 3' ' ' VAL . . . . . 0.641 HG21 ' HA ' ' H' ' 28' ' ' PRO . 20.6 t -52.02 -47.85 41.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 121.083 0.468 . . . . 0.0 111.931 -179.119 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 4' ' ' GLU . . . . . 0.716 ' HB2' HE21 ' H' ' 4' ' ' GLN . 34.6 tt0 -99.85 -46.57 5.34 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 120.591 -0.443 . . . . 0.0 109.835 179.408 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 5' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -44.21 -53.15 6.83 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 6' ' ' CYS . . . . . 0.54 ' O ' ' HA ' ' G' ' 10' ' ' ILE . 81.1 m -80.31 -15.05 57.81 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 -178.045 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 7' ' ' CYS . . . . . . . . . . . . . 49.9 t -98.18 -21.84 16.5 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.357 -0.537 . . . . 0.0 111.56 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 8' ' ' THR . . . . . 0.564 HG23 ' H ' ' G' ' 9' ' ' SER . 8.9 t -81.07 -66.52 0.88 Allowed 'General case' 0 C--N 1.329 -0.322 0 O-C-N 121.897 -0.502 . . . . 0.0 111.498 -179.259 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 9' ' ' SER . . . . . 0.568 ' O ' ' HB ' ' G' ' 10' ' ' ILE . 22.6 m -105.41 -6.59 19.39 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 117.66 0.209 . . . . 0.0 111.372 -179.609 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 10' ' ' ILE . . . . . 0.936 HG23 ' H2 ' ' G' ' 22' ' ' IPH . 34.2 mt 78.65 137.3 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 O-C-N 124.187 0.929 . . . . 0.0 112.202 179.292 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 11' ' ' CYS . . . . . . . . . . . . . 82.8 m -100.04 141.68 32.55 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.911 179.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 12' ' ' SER . . . . . . . . . . . . . 15.6 m -72.02 166.73 21.64 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 178.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 13' ' ' LEU . . . . . 0.403 HD11 HD11 ' A' ' 13' ' ' LEU . 7.5 tt -54.95 -46.73 75.03 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.678 0.275 . . . . 0.0 110.699 -179.34 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 13.8 m-30 -62.95 -32.0 73.22 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.413 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -70.99 -39.21 72.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.792 0.33 . . . . 0.0 110.215 179.115 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 16' ' ' LEU . . . . . 0.517 ' HB3' HD23 ' H' ' 15' ' ' LEU . 95.5 mt -64.06 -32.96 74.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.272 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 17' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -61.68 -20.18 63.15 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 111.738 0.273 . . . . 0.0 111.738 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 18' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -74.5 -12.1 60.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.785 0.326 . . . . 0.0 110.776 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 19' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -121.11 31.14 6.5 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.642 0.734 . . . . 0.0 109.8 -179.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 20' ' ' CYS . . . . . . . . . . . . . 46.6 t -104.55 174.6 5.8 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.441 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 21' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.399 -0.81 . . . . 0.0 110.583 179.668 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' H' H ' 1' ' ' PHE . . . . . 0.427 ' N ' ' HA ' ' K' ' 8' ' ' THR . 17.7 p90 . . . . . 0 N--CA 1.48 1.057 0 N-CA-C 111.608 0.225 . . . . 0.0 111.608 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 2' ' ' VAL . . . . . . . . . . . . . 21.6 t -78.75 74.36 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.149 0 CA-C-O 121.57 0.7 . . . . 0.0 109.516 179.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 3' ' ' ASN . . . . . 0.788 ' HB3' ' HB3' ' H' ' 7' ' ' CYS . 79.8 m-20 -77.18 2.18 16.17 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.654 -178.333 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' H' H ' 4' ' ' GLN . . . . . 0.716 HE21 ' HB2' ' G' ' 4' ' ' GLU . 84.6 mt-30 -68.27 -35.76 78.36 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.14 0.495 . . . . 0.0 110.264 179.458 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' H' H ' 5' ' ' HIS . . . . . 0.733 ' HB3' HD13 ' K' ' 10' ' ' ILE . 73.2 t60 -97.27 -9.09 28.3 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.647 179.736 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' H' H ' 6' ' ' LEU . . . . . 0.561 ' HB2' ' HA ' ' H' ' 3' ' ' ASN . 73.9 mt -100.24 -76.69 0.55 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.146 179.438 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' H' H ' 7' ' ' CYS . . . . . 0.788 ' HB3' ' HB3' ' H' ' 3' ' ' ASN . 0.0 OUTLIER -64.47 -32.77 74.54 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.261 178.884 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' H' H ' 8' ' ' GLY . . . . . 0.702 ' HA2' ' HG ' ' H' ' 11' ' ' LEU . . . -56.38 -31.11 59.42 Favored Glycine 0 C--N 1.334 0.441 0 C-N-CA 121.115 -0.564 . . . . 0.0 112.11 178.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' H' H ' 9' ' ' SER . . . . . 0.547 ' HB3' ' HG3' ' F' ' 13' ' ' GLU . 14.2 m -69.3 -7.27 35.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.857 0.36 . . . . 0.0 111.155 179.441 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' H' H ' 10' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 -114.24 -7.67 12.96 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.663 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 11' ' ' LEU . . . . . 0.773 ' HA ' ' H5 ' ' G' ' 22' ' ' IPH . 69.4 mt -66.79 -33.78 76.38 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 177.333 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' H' H ' 12' ' ' VAL . . . . . 0.534 ' O ' ' HB2' ' H' ' 16' ' ' TYR . 2.9 m -67.75 -31.67 53.31 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.288 0 CA-C-N 114.513 -1.221 . . . . 0.0 110.71 178.241 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' H' H ' 13' ' ' GLU . . . . . 0.524 ' HG3' ' HB3' ' F' ' 9' ' ' SER . 40.9 tt0 -62.59 -38.75 91.34 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 179.634 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' H' H ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.28 -46.42 60.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.934 178.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 15' ' ' LEU . . . . . 0.728 HD11 HD11 ' G' ' 2' ' ' ILE . 62.4 mt -58.28 -41.7 84.93 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.592 0.71 . . . . 0.0 109.823 178.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' H' H ' 16' ' ' TYR . . . . . 0.534 ' HB2' ' O ' ' H' ' 12' ' ' VAL . 1.5 t80 -53.74 -46.13 70.78 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 114.476 -1.238 . . . . 0.0 110.752 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' H' H ' 17' ' ' LEU . . . . . 0.44 HD13 ' NE2' ' F' ' 5' ' ' HIS . 3.9 mm? -67.81 -45.19 75.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.163 179.535 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 61.4 t -63.74 -46.55 94.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.144 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 19' ' ' CYS . . . . . . . . . . . . . 82.2 m -72.4 -19.13 61.66 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.388 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.18 -108.97 2.65 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.885 179.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 21' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -110.44 12.64 22.94 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.796 0.332 . . . . 0.0 111.43 -179.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 22' ' ' ARG . . . . . . . . . . . . . 67.0 mtp180 -77.24 -73.77 0.28 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.944 179.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 23' ' ' GLY . . . . . 0.499 ' CA ' ' HD2' ' F' ' 28' ' ' PRO . . . 139.24 -176.45 21.0 Favored Glycine 0 N--CA 1.445 -0.729 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.546 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' H' H ' 24' ' ' PHE . . . . . 0.451 ' CZ ' ' HB ' ' H' ' 12' ' ' VAL . 2.3 p90 -161.29 170.36 20.35 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.25 0.547 . . . . 0.0 110.601 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' H' H ' 25' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -128.78 136.98 51.27 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 177.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 26' ' ' TYR . . . . . 0.446 ' OH ' ' HA ' ' G' ' 3' ' ' VAL . 3.2 t80 -141.45 106.61 4.98 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.212 -0.595 . . . . 0.0 111.385 -177.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' H' H ' 27' ' ' THR . . . . . 0.629 ' HB ' ' HG2' ' H' ' 29' ' ' LYS . 10.1 p -127.04 100.75 26.77 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.264 179.595 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' H' H ' 28' ' ' PRO . . . . . 0.641 ' HA ' HG21 ' G' ' 3' ' ' VAL . 52.8 Cg_endo -70.09 -1.22 8.38 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.688 2.259 . . . . 0.0 112.645 -179.602 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' H' H ' 29' ' ' LYS . . . . . 0.629 ' HG2' ' HB ' ' H' ' 27' ' ' THR . 0.0 OUTLIER -69.28 164.85 21.87 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.316 179.831 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' H' H ' 30' ' ' THR . . . . . . . . . . . . . 9.0 m . . . . . 0 C--O 1.245 0.861 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 178.535 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' I' I ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.688 0 N-CA-C 111.294 -0.722 . . . . 0.0 111.294 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' I' I ' 2' ' ' ILE . . . . . 0.746 HD11 HD11 ' J' ' 15' ' ' LEU . 6.6 tt -160.05 -45.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.315 -0.916 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.051 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' I' I ' 3' ' ' VAL . . . . . 0.635 HG21 ' HA ' ' J' ' 28' ' ' PRO . 20.0 t -51.78 -50.32 32.66 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.099 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.463 -179.434 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' I' I ' 4' ' ' GLU . . . . . 0.717 ' HB2' HE21 ' J' ' 4' ' ' GLN . 32.7 tt0 -97.84 -45.93 6.13 Favored 'General case' 0 N--CA 1.443 -0.819 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.03 179.274 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' I' I ' 5' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -44.46 -52.77 7.56 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -179.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 6' ' ' CYS . . . . . 0.549 ' O ' ' HA ' ' I' ' 10' ' ' ILE . 81.5 m -80.75 -15.12 57.29 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 113.191 0.811 . . . . 0.0 113.191 -177.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' I' I ' 7' ' ' CYS . . . . . . . . . . . . . 45.8 t -97.58 -22.47 16.49 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.452 -0.499 . . . . 0.0 111.327 -179.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 8' ' ' THR . . . . . 0.536 HG23 ' H ' ' I' ' 9' ' ' SER . 10.6 t -80.48 -66.96 0.82 Allowed 'General case' 0 CA--C 1.534 0.349 0 O-C-N 121.789 -0.569 . . . . 0.0 111.472 -179.138 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' I' I ' 9' ' ' SER . . . . . 0.558 ' O ' ' HB ' ' I' ' 10' ' ' ILE . 19.9 m -105.34 -6.01 19.98 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.566 0.222 . . . . 0.0 111.242 -179.446 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' I' I ' 10' ' ' ILE . . . . . 0.924 HG23 ' H2 ' ' I' ' 22' ' ' IPH . 35.0 mt 77.81 136.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-N 115.626 -0.716 . . . . 0.0 112.22 179.322 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' I' I ' 11' ' ' CYS . . . . . . . . . . . . . 80.3 m -99.53 142.34 31.13 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.432 -0.803 . . . . 0.0 109.842 179.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 12' ' ' SER . . . . . . . . . . . . . 19.9 m -72.4 167.39 20.63 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 178.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 13' ' ' LEU . . . . . . . . . . . . . 7.7 tt -56.14 -46.47 79.21 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.599 0.238 . . . . 0.0 110.563 -179.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 13.8 m-30 -63.11 -32.2 73.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.764 0.316 . . . . 0.0 111.261 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 15' ' ' GLN . . . . . 0.427 ' HA ' ' OE1' ' I' ' 15' ' ' GLN . 12.1 mm100 -70.62 -39.82 73.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.89 0.376 . . . . 0.0 110.326 179.136 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' I' I ' 16' ' ' LEU . . . . . 0.546 ' HB3' HD23 ' J' ' 15' ' ' LEU . 95.8 mt -63.59 -32.53 74.03 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.19 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' I' I ' 17' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -62.19 -18.89 62.32 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.703 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 18' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -76.18 -10.73 59.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.076 0.465 . . . . 0.0 110.774 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 19' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -122.35 31.64 6.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.5 0.666 . . . . 0.0 109.716 -179.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 20' ' ' CYS . . . . . . . . . . . . . 49.6 t -105.21 175.26 5.55 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.447 -179.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 21' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.251 1.153 0 CA-C-O 118.591 -0.718 . . . . 0.0 110.676 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 1' ' ' PHE . . . . . 0.45 ' N ' ' HA ' ' E' ' 8' ' ' THR . 17.2 p90 . . . . . 0 N--CA 1.479 0.988 0 N-CA-C 111.61 0.226 . . . . 0.0 111.61 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 2' ' ' VAL . . . . . . . . . . . . . 21.5 t -77.74 74.22 0.57 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.128 0 CA-C-O 121.558 0.694 . . . . 0.0 109.982 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 3' ' ' ASN . . . . . 0.77 ' HB3' ' HB3' ' J' ' 7' ' ' CYS . 78.4 m-20 -76.12 0.35 19.18 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.761 -178.75 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' J' J ' 4' ' ' GLN . . . . . 0.717 HE21 ' HB2' ' I' ' 4' ' ' GLU . 85.1 mt-30 -66.98 -35.46 80.01 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.224 0.535 . . . . 0.0 110.442 179.319 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' J' J ' 5' ' ' HIS . . . . . 0.727 ' HB3' HD13 ' E' ' 10' ' ' ILE . 73.6 t60 -98.01 -8.34 28.11 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.802 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' J' J ' 6' ' ' LEU . . . . . 0.586 ' HB2' ' HA ' ' J' ' 3' ' ' ASN . 74.8 mt -101.02 -76.76 0.55 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.916 179.608 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' J' J ' 7' ' ' CYS . . . . . 0.77 ' HB3' ' HB3' ' J' ' 3' ' ' ASN . 0.0 OUTLIER -64.29 -33.17 75.22 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.329 -0.851 . . . . 0.0 110.336 178.718 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' J' J ' 8' ' ' GLY . . . . . 0.718 ' HA2' ' HG ' ' J' ' 11' ' ' LEU . . . -56.13 -31.01 58.63 Favored Glycine 0 C--N 1.335 0.523 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.255 178.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' J' J ' 9' ' ' SER . . . . . 0.562 ' HB3' ' HG3' ' L' ' 13' ' ' GLU . 14.1 m -69.21 -7.54 37.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.005 0.431 . . . . 0.0 111.043 179.385 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' J' J ' 10' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -113.85 -7.95 13.18 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.762 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 11' ' ' LEU . . . . . 0.806 ' HA ' ' H5 ' ' I' ' 22' ' ' IPH . 69.9 mt -66.42 -33.86 76.64 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 177.521 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' J' J ' 12' ' ' VAL . . . . . 0.536 ' O ' ' HB2' ' J' ' 16' ' ' TYR . 3.1 m -67.65 -31.85 54.25 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.433 0 CA-C-N 114.465 -1.243 . . . . 0.0 110.755 178.391 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' J' J ' 13' ' ' GLU . . . . . 0.528 ' HG3' ' HB3' ' L' ' 9' ' ' SER . 43.2 tt0 -62.56 -38.5 90.32 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 179.67 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' J' J ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.26 -46.11 61.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.034 178.134 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 15' ' ' LEU . . . . . 0.746 HD11 HD11 ' I' ' 2' ' ' ILE . 59.6 mt -58.87 -41.65 87.55 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 121.563 0.697 . . . . 0.0 109.706 178.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' J' J ' 16' ' ' TYR . . . . . 0.536 ' HB2' ' O ' ' J' ' 12' ' ' VAL . 1.6 t80 -54.04 -45.17 71.55 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 114.565 -1.198 . . . . 0.0 110.715 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' J' J ' 17' ' ' LEU . . . . . 0.439 HD13 ' NE2' ' L' ' 5' ' ' HIS . 3.9 mm? -68.75 -44.73 73.13 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.113 179.594 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 66.6 t -64.43 -44.34 97.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.333 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 19' ' ' CYS . . . . . . . . . . . . . 79.5 m -74.91 -19.27 60.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.188 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.9 -106.74 1.8 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 121.057 -0.592 . . . . 0.0 113.143 179.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 21' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -113.34 13.23 19.01 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.952 0.406 . . . . 0.0 111.102 -179.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 22' ' ' ARG . . . . . . . . . . . . . 67.0 mtp180 -76.98 -74.5 0.24 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.627 178.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 23' ' ' GLY . . . . . 0.496 ' CA ' ' HD2' ' L' ' 28' ' ' PRO . . . 139.86 -175.99 21.49 Favored Glycine 0 N--CA 1.444 -0.784 0 N-CA-C 111.39 -0.684 . . . . 0.0 111.39 179.732 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' J' J ' 24' ' ' PHE . . . . . 0.459 ' CZ ' ' HB ' ' J' ' 12' ' ' VAL . 2.3 p90 -161.16 170.72 19.8 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.153 0.501 . . . . 0.0 110.67 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' J' J ' 25' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -129.15 136.39 50.12 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 178.045 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 26' ' ' TYR . . . . . 0.462 ' OH ' ' HA ' ' I' ' 3' ' ' VAL . 3.2 t80 -140.77 106.41 5.11 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.095 -0.642 . . . . 0.0 111.277 -178.054 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' J' J ' 27' ' ' THR . . . . . 0.616 ' HB ' ' HG2' ' J' ' 29' ' ' LYS . 15.8 p -126.75 101.48 26.7 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.306 179.112 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' J' J ' 28' ' ' PRO . . . . . 0.635 ' HA ' HG21 ' I' ' 3' ' ' VAL . 45.5 Cg_endo -70.06 -3.63 12.6 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.809 2.339 . . . . 0.0 112.771 -179.386 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' J' J ' 29' ' ' LYS . . . . . 0.616 ' HG2' ' HB ' ' J' ' 27' ' ' THR . 0.0 OUTLIER -66.05 169.57 6.73 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.941 179.391 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' J' J ' 30' ' ' THR . . . . . . . . . . . . . 13.9 m . . . . . 0 C--O 1.248 0.985 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 178.488 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.275 0 N-CA-C 110.769 -0.932 . . . . 0.0 110.769 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' K' K ' 2' ' ' ILE . . . . . 0.75 HD11 HD11 ' L' ' 15' ' ' LEU . 7.4 tt -160.81 -45.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-N 116.613 0.207 . . . . 0.0 111.212 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' K' K ' 3' ' ' VAL . . . . . 0.657 HG21 ' HA ' ' L' ' 28' ' ' PRO . 19.6 t -51.31 -49.11 31.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.08 -0.509 . . . . 0.0 112.062 -179.118 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' K' K ' 4' ' ' GLU . . . . . 0.736 ' HB2' HE21 ' L' ' 4' ' ' GLN . 33.7 tt0 -99.56 -45.42 5.81 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 179.304 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' K' K ' 5' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -44.92 -52.47 8.66 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' K' K ' 6' ' ' CYS . . . . . 0.549 ' O ' ' HA ' ' K' ' 10' ' ' ILE . 85.1 m -81.22 -15.18 56.41 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -177.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' K' K ' 7' ' ' CYS . . . . . . . . . . . . . 46.2 t -97.05 -22.9 16.53 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.508 -0.477 . . . . 0.0 111.428 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' K' K ' 8' ' ' THR . . . . . 0.544 HG23 ' H ' ' K' ' 9' ' ' SER . 9.8 t -80.08 -67.22 0.79 Allowed 'General case' 0 C--O 1.235 0.298 0 O-C-N 121.568 -0.708 . . . . 0.0 111.621 -179.345 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' K' K ' 9' ' ' SER . . . . . 0.545 ' O ' ' HB ' ' K' ' 10' ' ' ILE . 16.9 m -105.5 -4.55 21.15 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.687 0.28 . . . . 0.0 111.295 -179.192 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' K' K ' 10' ' ' ILE . . . . . 0.909 HG23 ' H2 ' ' K' ' 22' ' ' IPH . 33.4 mt 76.53 137.37 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 CA-C-N 115.416 -0.811 . . . . 0.0 112.487 179.045 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' K' K ' 11' ' ' CYS . . . . . . . . . . . . . 80.3 m -100.11 140.89 33.69 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.107 179.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' K' K ' 12' ' ' SER . . . . . . . . . . . . . 22.4 m -71.0 166.74 20.67 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 178.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' K' K ' 13' ' ' LEU . . . . . . . . . . . . . 7.6 tt -55.13 -46.74 75.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.633 0.254 . . . . 0.0 110.624 -179.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 13.7 m-30 -63.25 -30.56 71.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.864 0.364 . . . . 0.0 111.48 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -72.7 -39.34 67.09 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.1 179.122 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' K' K ' 16' ' ' LEU . . . . . 0.534 ' HB3' HD23 ' L' ' 15' ' ' LEU . 96.0 mt -63.84 -32.35 73.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.258 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' K' K ' 17' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -62.27 -18.59 61.68 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.63 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' K' K ' 18' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -76.92 -9.88 58.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.916 0.389 . . . . 0.0 110.721 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' K' K ' 19' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -122.54 30.01 6.68 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.47 0.653 . . . . 0.0 109.768 -179.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' K' K ' 20' ' ' CYS . . . . . . . . . . . . . 46.0 t -103.63 176.22 5.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.398 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' K' K ' 21' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.463 -0.78 . . . . 0.0 110.189 179.764 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' L' L ' 1' ' ' PHE . . . . . 0.435 ' N ' ' HA ' ' C' ' 8' ' ' THR . 18.7 p90 . . . . . 0 N--CA 1.48 1.066 0 N-CA-C 111.32 0.119 . . . . 0.0 111.32 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' L' L ' 2' ' ' VAL . . . . . . . . . . . . . 21.5 t -79.48 75.31 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.334 -0.103 0 CA-C-O 121.683 0.754 . . . . 0.0 109.393 179.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' L' L ' 3' ' ' ASN . . . . . 0.788 ' HB3' ' HB3' ' L' ' 7' ' ' CYS . 78.8 m-20 -77.25 -0.5 25.56 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.629 -178.742 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' L' L ' 4' ' ' GLN . . . . . 0.736 HE21 ' HB2' ' K' ' 4' ' ' GLU . 83.5 mt-30 -66.23 -35.5 80.6 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.264 0.554 . . . . 0.0 110.466 179.402 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' L' L ' 5' ' ' HIS . . . . . 0.71 ' HB3' HD13 ' C' ' 10' ' ' ILE . 73.1 t60 -98.5 -7.59 28.15 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.729 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' L' L ' 6' ' ' LEU . . . . . 0.576 ' HB2' ' HA ' ' L' ' 3' ' ' ASN . 75.3 mt -101.81 -76.3 0.57 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.828 179.325 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' L' L ' 7' ' ' CYS . . . . . 0.788 ' HB3' ' HB3' ' L' ' 3' ' ' ASN . 0.0 OUTLIER -64.26 -33.37 75.67 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.388 178.717 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' L' L ' 8' ' ' GLY . . . . . 0.737 ' HA2' ' HG ' ' L' ' 11' ' ' LEU . . . -56.48 -30.47 58.82 Favored Glycine 0 C--N 1.336 0.539 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.213 178.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' L' L ' 9' ' ' SER . . . . . 0.528 ' HB3' ' HG3' ' J' ' 13' ' ' GLU . 13.3 m -69.56 -7.27 37.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.055 0.455 . . . . 0.0 111.087 179.36 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' L' L ' 10' ' ' HIS . . . . . . . . . . . . . 86.5 m-70 -114.11 -7.88 13.03 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 120.942 0.401 . . . . 0.0 110.775 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' L' L ' 11' ' ' LEU . . . . . 0.804 ' HA ' ' H5 ' ' K' ' 22' ' ' IPH . 71.4 mt -66.41 -34.09 77.18 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 107.479 -1.304 . . . . 0.0 107.479 177.433 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' L' L ' 12' ' ' VAL . . . . . 0.548 ' O ' ' HB2' ' L' ' 16' ' ' TYR . 3.0 m -67.37 -31.86 54.76 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.327 0 CA-C-N 114.528 -1.214 . . . . 0.0 110.86 178.255 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' L' L ' 13' ' ' GLU . . . . . 0.562 ' HG3' ' HB3' ' J' ' 9' ' ' SER . 41.9 tt0 -62.75 -38.73 91.72 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 179.655 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' L' L ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.98 -46.19 62.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.05 178.012 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' L' L ' 15' ' ' LEU . . . . . 0.75 HD11 HD11 ' K' ' 2' ' ' ILE . 59.6 mt -58.55 -41.95 86.77 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.626 0.727 . . . . 0.0 109.854 178.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' L' L ' 16' ' ' TYR . . . . . 0.548 ' HB2' ' O ' ' L' ' 12' ' ' VAL . 1.5 t80 -53.64 -45.08 70.07 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.496 -1.229 . . . . 0.0 111.113 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' L' L ' 17' ' ' LEU . . . . . 0.424 HD13 ' NE2' ' J' ' 5' ' ' HIS . 3.9 mm? -69.44 -43.98 72.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.012 179.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 64.8 t -65.29 -44.42 94.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.113 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' L' L ' 19' ' ' CYS . . . . . . . . . . . . . 84.4 m -73.99 -19.59 60.61 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.252 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' L' L ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.9 -108.13 2.33 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.917 179.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' L' L ' 21' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -111.71 11.96 21.05 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.767 0.318 . . . . 0.0 111.283 -179.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' L' L ' 22' ' ' ARG . . . . . . . . . . . . . 66.9 mtp180 -76.09 -73.55 0.27 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.985 179.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' L' L ' 23' ' ' GLY . . . . . 0.498 ' CA ' ' HD2' ' J' ' 28' ' ' PRO . . . 138.92 -176.57 20.83 Favored Glycine 0 N--CA 1.444 -0.809 0 N-CA-C 111.552 -0.619 . . . . 0.0 111.552 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' L' L ' 24' ' ' PHE . . . . . 0.453 ' CZ ' ' HB ' ' L' ' 12' ' ' VAL . 2.4 p90 -160.76 170.92 19.78 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.901 0.381 . . . . 0.0 110.787 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' L' L ' 25' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -129.28 135.77 49.2 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 178.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' L' L ' 26' ' ' TYR . . . . . 0.456 ' OH ' ' HA ' ' K' ' 3' ' ' VAL . 3.2 t80 -140.33 106.6 5.25 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.207 -0.597 . . . . 0.0 111.48 -178.006 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' L' L ' 27' ' ' THR . . . . . 0.621 ' HB ' ' HG2' ' L' ' 29' ' ' LYS . 14.8 p -127.03 101.38 25.94 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.317 179.18 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' L' L ' 28' ' ' PRO . . . . . 0.657 ' HA ' HG21 ' K' ' 3' ' ' VAL . 49.1 Cg_endo -70.29 -2.74 11.05 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 122.828 2.352 . . . . 0.0 112.618 -179.507 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' L' L ' 29' ' ' LYS . . . . . 0.621 ' HG2' ' HB ' ' L' ' 27' ' ' THR . 0.0 OUTLIER -67.13 167.85 11.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.066 179.496 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' L' L ' 30' ' ' THR . . . . . . . . . . . . . 9.4 m . . . . . 0 C--O 1.247 0.962 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 178.78 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' IPH . . . . . 0.925 ' H2 ' HG23 ' A' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 22' ' ' IPH . . . . . 0.931 ' H2 ' HG23 ' C' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 22' ' ' IPH . . . . . 0.963 ' H2 ' HG23 ' E' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 22' ' ' IPH . . . . . 0.936 ' H2 ' HG23 ' G' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 22' ' ' IPH . . . . . 0.924 ' H2 ' HG23 ' I' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' K' K ' 22' ' ' IPH . . . . . 0.909 ' H2 ' HG23 ' K' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.387 0 N-CA-C 111.66 -0.576 . . . . 0.0 111.66 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.8 tt -142.18 -35.85 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.76 0.314 . . . . 0.0 111.111 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 29.5 m -63.0 -36.45 75.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 -179.23 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -83.4 -2.51 55.97 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.251 0.548 . . . . 0.0 111.516 -179.212 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.43 ' HG2' ' SG ' ' A' ' 11' ' ' CYS . 36.9 tt0 -108.28 -39.89 5.33 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.176 0.512 . . . . 0.0 110.695 179.665 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 72.9 m -90.08 -34.46 15.91 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -178.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.641 ' HB2' HD11 ' B' ' 11' ' ' LEU . 15.0 t -91.43 26.97 2.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.059 0.457 . . . . 0.0 111.34 -179.282 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.1 p -126.97 -64.2 1.02 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.0 0.428 . . . . 0.0 110.667 179.1 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.401 ' O ' ' HB ' ' A' ' 10' ' ' ILE . 45.6 m -124.93 12.19 8.39 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.291 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.401 ' HB ' ' O ' ' A' ' 9' ' ' SER . 2.3 mp 70.35 140.28 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-O 121.644 0.735 . . . . 0.0 110.908 -179.533 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.43 ' SG ' ' HG2' ' A' ' 5' ' ' GLN . 92.6 m -93.86 147.91 22.63 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.779 -178.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.4 t -76.4 162.58 27.75 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.278 178.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.8 tt -56.32 -44.04 79.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.931 0.396 . . . . 0.0 110.582 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 -67.2 -32.87 74.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.052 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.507 ' HA ' ' ND2' ' A' ' 18' ' ' ASN . 86.6 mt-30 -70.41 -39.79 74.27 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 178.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 94.0 mt -63.83 -38.56 91.55 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.71 179.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -65.39 -21.48 66.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.433 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.507 ' ND2' ' HA ' ' A' ' 15' ' ' GLN . 86.4 m-20 -66.23 -31.5 72.35 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.168 0.509 . . . . 0.0 109.761 178.726 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -93.48 -10.93 33.3 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.508 179.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.615 ' HA ' ' HB3' ' B' ' 24' ' ' PHE . 23.1 t -77.14 161.17 28.44 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.634 -179.686 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.243 0.749 0 CA-C-O 118.498 -0.763 . . . . 0.0 110.16 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 35.5 t80 . . . . . 0 N--CA 1.478 0.94 0 CA-C-O 120.745 0.307 . . . . 0.0 110.329 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.771 HG22 ' H ' ' B' ' 3' ' ' ASN . 4.4 p -73.1 -175.97 0.19 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 109.849 179.674 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . 0.771 ' H ' HG22 ' B' ' 2' ' ' VAL . 25.6 t-20 73.67 -73.7 0.09 Allowed 'General case' 0 C--O 1.212 -0.904 0 C-N-CA 123.055 0.542 . . . . 0.0 109.792 -179.592 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -57.75 -44.5 86.13 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.729 0.3 . . . . 0.0 111.429 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -70.15 -9.32 55.26 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.858 -179.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 30.2 mt -112.77 -31.11 6.84 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.725 0.774 . . . . 0.0 110.025 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . 0.472 ' HB3' ' O ' ' B' ' 3' ' ' ASN . 0.0 OUTLIER -74.88 -41.68 59.33 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 114.631 -1.168 . . . . 0.0 110.616 -179.476 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . 0.555 ' HA2' ' HG ' ' B' ' 11' ' ' LEU . . . -60.55 -26.84 65.12 Favored Glycine 0 C--N 1.332 0.346 0 C-N-CA 121.007 -0.616 . . . . 0.0 111.773 179.284 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . 0.507 ' O ' ' HG2' ' D' ' 13' ' ' GLU . 8.6 m -64.33 -19.12 65.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.973 0.416 . . . . 0.0 111.032 179.589 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . 0.487 ' HA ' ' HG3' ' B' ' 13' ' ' GLU . 98.8 m-70 -108.38 -15.32 14.49 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.737 0.303 . . . . 0.0 111.378 -179.094 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.641 HD11 ' HB2' ' A' ' 7' ' ' CYS . 36.1 mt -68.18 -34.27 75.98 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 177.803 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.669 ' HA ' ' HB2' ' B' ' 15' ' ' LEU . 2.1 m -68.02 -28.62 41.84 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 CA-C-N 114.924 -1.034 . . . . 0.0 112.133 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.504 ' HG2' ' O ' ' D' ' 9' ' ' SER . 27.0 mt-10 -61.09 -53.52 56.03 Favored 'General case' 0 CA--C 1.519 -0.232 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 179.444 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.05 -27.61 64.79 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.21 -0.904 . . . . 0.0 110.668 179.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.669 ' HB2' ' HA ' ' B' ' 12' ' ' VAL . 1.7 mt -56.34 -60.33 3.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.63 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . 0.804 ' HB3' ' HE2' ' B' ' 24' ' ' PHE . 0.9 OUTLIER -76.34 -15.62 59.93 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 119.908 -0.717 . . . . 0.0 110.613 -179.324 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.848 HD11 ' H5 ' ' G' ' 22' ' ' IPH . 9.0 tt -67.19 -42.08 84.77 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 178.073 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 53.9 t -68.55 -35.97 72.63 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.446 178.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . 1.068 ' HB3' ' HB2' ' B' ' 22' ' ' ARG . 74.4 m -73.81 -16.59 61.14 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.236 -0.893 . . . . 0.0 111.683 179.724 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.95 -96.1 0.85 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.994 -0.622 . . . . 0.0 111.72 -179.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -108.78 2.9 22.02 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.89 0.376 . . . . 0.0 110.231 178.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . 1.068 ' HB2' ' HB3' ' B' ' 19' ' ' CYS . 76.2 mtt180 -79.39 163.72 24.59 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.277 178.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . 0.46 ' HA3' HG22 ' D' ' 27' ' ' THR . . . -108.78 -162.19 20.28 Favored Glycine 0 N--CA 1.442 -0.923 0 N-CA-C 110.423 -1.071 . . . . 0.0 110.423 177.65 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . 0.804 ' HE2' ' HB3' ' B' ' 16' ' ' TYR . 5.1 p90 -172.48 170.51 4.9 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 117.427 0.613 . . . . 0.0 111.557 179.372 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -115.04 111.14 20.64 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 177.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 81.9 t80 -110.68 118.69 36.87 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.059 -177.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . 0.499 HG22 ' HA3' ' D' ' 23' ' ' GLY . 3.1 p -123.47 96.63 43.49 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-O 121.241 0.543 . . . . 0.0 110.584 179.654 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -84.56 45.58 1.73 Allowed 'Trans proline' 0 C--O 1.238 0.522 0 C-N-CA 123.18 2.586 . . . . 0.0 113.311 -179.151 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -91.65 135.3 33.98 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.055 0.455 . . . . 0.0 110.475 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 19.6 m . . . . . 0 C--O 1.251 1.181 0 CA-C-O 118.143 -0.932 . . . . 0.0 109.024 179.824 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.525 0 N-CA-C 111.722 -0.551 . . . . 0.0 111.722 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 7.2 tt -140.7 -36.89 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.741 0.305 . . . . 0.0 111.078 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 23.4 m -60.68 -38.98 80.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -179.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -81.48 -2.93 51.54 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.116 0.484 . . . . 0.0 111.626 -179.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 5' ' ' GLN . . . . . 0.411 ' HG2' ' SG ' ' C' ' 11' ' ' CYS . 36.9 tt0 -107.91 -39.67 5.48 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.127 0.489 . . . . 0.0 110.666 179.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 72.7 m -90.57 -34.22 15.59 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -178.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 7' ' ' CYS . . . . . 0.623 ' HB2' HD11 ' D' ' 11' ' ' LEU . 13.4 t -91.3 27.18 1.99 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.054 0.454 . . . . 0.0 111.257 -179.416 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 11.0 p -127.48 -64.33 0.99 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.999 0.428 . . . . 0.0 110.862 178.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 9' ' ' SER . . . . . 0.444 ' O ' ' HB ' ' C' ' 10' ' ' ILE . 45.5 m -124.23 10.23 8.66 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.213 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . 0.444 ' HB ' ' O ' ' C' ' 9' ' ' SER . 2.3 mp 72.66 140.97 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-O 121.352 0.596 . . . . 0.0 110.556 -179.68 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 11' ' ' CYS . . . . . 0.411 ' SG ' ' HG2' ' C' ' 5' ' ' GLN . 86.4 m -94.84 148.09 22.67 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.794 -0.639 . . . . 0.0 112.06 -178.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 29.1 t -76.34 161.48 28.68 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.566 178.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 9.6 tt -55.22 -44.68 75.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.888 0.375 . . . . 0.0 110.74 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -66.92 -32.75 74.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.23 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . 0.536 ' HA ' ' ND2' ' C' ' 18' ' ' ASN . 88.3 mt-30 -70.55 -39.94 73.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.11 0.481 . . . . 0.0 109.778 178.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 94.0 mt -63.83 -37.75 88.54 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.873 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -66.77 -19.93 65.85 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.694 -0.23 . . . . 0.0 111.316 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 18' ' ' ASN . . . . . 0.536 ' ND2' ' HA ' ' C' ' 15' ' ' GLN . 85.2 m-20 -66.92 -31.75 72.54 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 121.243 0.544 . . . . 0.0 109.719 178.552 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -93.28 -10.77 34.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.641 179.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 20' ' ' CYS . . . . . 0.607 ' HA ' ' HB3' ' D' ' 24' ' ' PHE . 24.6 t -77.52 160.6 28.52 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.115 -0.948 . . . . 0.0 110.717 -179.753 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 21' ' ' ASN . . . . . 0.412 HD22 ' HA ' ' C' ' 21' ' ' ASN . 0.8 OUTLIER . . . . . 0 C--O 1.243 0.72 0 CA-C-O 118.372 -0.823 . . . . 0.0 110.588 -179.573 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 39.6 t80 . . . . . 0 N--CA 1.48 1.033 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 2' ' ' VAL . . . . . 0.756 HG22 ' H ' ' D' ' 3' ' ' ASN . 4.9 p -73.19 -176.36 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 179.593 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 3' ' ' ASN . . . . . 0.756 ' H ' HG22 ' D' ' 2' ' ' VAL . 23.8 t-20 73.98 -73.59 0.1 Allowed 'General case' 0 C--O 1.211 -0.969 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 -179.695 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 -57.67 -45.08 86.05 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.743 0.306 . . . . 0.0 111.576 179.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 5' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -69.86 -8.94 52.7 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 116.314 -0.403 . . . . 0.0 112.044 -179.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 29.6 mt -112.98 -31.79 6.58 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.723 0.773 . . . . 0.0 109.903 179.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 7' ' ' CYS . . . . . 0.474 ' HB3' ' O ' ' D' ' 3' ' ' ASN . 0.0 OUTLIER -74.33 -41.36 61.23 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.712 -179.534 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D ' 8' ' ' GLY . . . . . 0.532 ' HA2' ' HG ' ' D' ' 11' ' ' LEU . . . -60.54 -26.82 65.08 Favored Glycine 0 C--N 1.333 0.386 0 C-N-CA 121.185 -0.531 . . . . 0.0 111.878 179.236 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 9' ' ' SER . . . . . 0.504 ' O ' ' HG2' ' B' ' 13' ' ' GLU . 9.1 m -64.72 -19.33 65.71 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.093 0.473 . . . . 0.0 111.097 179.48 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 10' ' ' HIS . . . . . 0.498 ' HA ' ' HG3' ' D' ' 13' ' ' GLU . 98.7 m-70 -108.05 -15.47 14.51 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.427 -179.174 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 11' ' ' LEU . . . . . 0.623 HD11 ' HB2' ' C' ' 7' ' ' CYS . 35.7 mt -68.14 -34.21 75.91 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 177.768 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . 0.666 ' HA ' ' HB2' ' D' ' 15' ' ' LEU . 2.0 m -68.0 -28.85 42.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 115.079 -0.964 . . . . 0.0 112.118 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 13' ' ' GLU . . . . . 0.507 ' HG2' ' O ' ' B' ' 9' ' ' SER . 26.2 mt-10 -60.85 -53.72 53.94 Favored 'General case' 0 CA--C 1.52 -0.204 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 179.344 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.0 -27.42 64.68 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.615 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 15' ' ' LEU . . . . . 0.666 ' HB2' ' HA ' ' D' ' 12' ' ' VAL . 1.7 mt -56.59 -60.19 3.91 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.637 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 16' ' ' TYR . . . . . 0.815 ' HB3' ' HE2' ' D' ' 24' ' ' PHE . 0.9 OUTLIER -76.43 -15.7 59.86 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 119.973 -0.691 . . . . 0.0 110.707 -179.233 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . 0.833 HD11 ' H5 ' ' I' ' 22' ' ' IPH . 9.0 tt -67.19 -42.82 83.56 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 178.288 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 54.3 t -67.38 -36.45 76.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.428 -0.805 . . . . 0.0 109.498 178.084 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 19' ' ' CYS . . . . . 1.089 ' HB3' ' HB2' ' D' ' 22' ' ' ARG . 76.3 m -73.66 -15.81 61.23 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.687 179.776 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.39 -97.41 0.86 Allowed Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.984 -0.627 . . . . 0.0 111.771 -179.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -107.52 1.33 23.32 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.93 0.395 . . . . 0.0 110.389 178.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 22' ' ' ARG . . . . . 1.089 ' HB2' ' HB3' ' D' ' 19' ' ' CYS . 74.5 mtt180 -77.11 165.1 25.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.232 178.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 23' ' ' GLY . . . . . 0.499 ' HA3' HG22 ' B' ' 27' ' ' THR . . . -110.09 -162.02 18.75 Favored Glycine 0 N--CA 1.442 -0.935 0 N-CA-C 110.35 -1.1 . . . . 0.0 110.35 177.343 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 24' ' ' PHE . . . . . 0.815 ' HE2' ' HB3' ' D' ' 16' ' ' TYR . 5.2 p90 -172.77 169.91 4.79 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 117.28 0.54 . . . . 0.0 111.567 179.34 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 25' ' ' PHE . . . . . . . . . . . . . 7.4 p90 -114.49 110.55 20.0 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 177.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 26' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -109.65 119.69 40.17 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.919 -178.059 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 27' ' ' THR . . . . . 0.46 HG22 ' HA3' ' B' ' 23' ' ' GLY . 2.9 p -124.67 96.91 39.97 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-O 121.193 0.52 . . . . 0.0 110.343 179.622 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 28' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -84.43 41.16 0.95 Allowed 'Trans proline' 0 C--O 1.237 0.451 0 C-N-CA 123.393 2.728 . . . . 0.0 113.502 -178.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -87.48 136.79 32.8 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.826 0.346 . . . . 0.0 110.449 179.471 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 28.6 m . . . . . 0 C--O 1.252 1.199 0 CA-C-O 118.199 -0.905 . . . . 0.0 109.603 179.529 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.585 0 N-CA-C 111.959 -0.456 . . . . 0.0 111.959 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' E' E ' 2' ' ' ILE . . . . . . . . . . . . . 6.2 tt -142.81 -36.06 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.912 0.387 . . . . 0.0 110.992 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 27.3 m -61.83 -37.57 78.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -179.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 4' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -82.46 -3.01 55.02 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.126 0.488 . . . . 0.0 111.552 -179.085 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 5' ' ' GLN . . . . . 0.421 ' HG2' ' SG ' ' E' ' 11' ' ' CYS . 37.9 tt0 -107.95 -39.2 5.6 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.335 0.588 . . . . 0.0 110.87 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 6' ' ' CYS . . . . . . . . . . . . . 75.2 m -91.22 -34.17 15.09 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 112.335 0.494 . . . . 0.0 112.335 -178.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 7' ' ' CYS . . . . . 0.618 ' HB2' HD11 ' F' ' 11' ' ' LEU . 14.1 t -91.29 26.59 2.17 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.081 0.467 . . . . 0.0 111.091 -179.409 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 7.1 p -127.13 -64.82 0.98 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.713 179.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 9' ' ' SER . . . . . . . . . . . . . 41.9 m -125.08 14.04 8.42 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.015 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 10' ' ' ILE . . . . . . . . . . . . . 2.2 mp 69.33 141.48 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 CA-C-O 121.595 0.712 . . . . 0.0 111.037 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 11' ' ' CYS . . . . . 0.421 ' SG ' ' HG2' ' E' ' 5' ' ' GLN . 93.6 m -95.03 146.98 23.89 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.896 -179.033 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 12' ' ' SER . . . . . 0.407 ' HB3' ' HG3' ' E' ' 15' ' ' GLN . 26.7 t -74.7 162.79 28.39 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.482 178.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 9.8 tt -57.3 -43.83 83.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.995 0.426 . . . . 0.0 110.724 179.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -67.01 -32.9 74.43 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.042 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . 0.565 ' HA ' ' ND2' ' E' ' 18' ' ' ASN . 86.8 mt-30 -70.24 -40.7 74.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.054 0.454 . . . . 0.0 109.932 179.045 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 16' ' ' LEU . . . . . . . . . . . . . 95.0 mt -62.95 -37.47 87.21 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.774 179.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 17' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -66.82 -20.48 65.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.396 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 18' ' ' ASN . . . . . 0.565 ' ND2' ' HA ' ' E' ' 15' ' ' GLN . 84.1 m-20 -66.85 -30.8 71.06 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.298 0.571 . . . . 0.0 109.779 178.472 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 19' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -94.44 -9.66 34.88 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.668 179.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 20' ' ' CYS . . . . . 0.614 ' HA ' ' HB3' ' F' ' 24' ' ' PHE . 24.2 t -78.4 161.06 27.42 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.675 -179.718 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 21' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.247 0.952 0 CA-C-O 118.503 -0.761 . . . . 0.0 110.41 -179.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 1' ' ' PHE . . . . . . . . . . . . . 38.1 t80 . . . . . 0 N--CA 1.477 0.899 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' F' F ' 2' ' ' VAL . . . . . 0.742 HG22 ' H ' ' F' ' 3' ' ' ASN . 4.3 p -73.95 -176.34 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 109.865 -0.421 . . . . 0.0 109.865 179.747 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' F' F ' 3' ' ' ASN . . . . . 0.742 ' H ' HG22 ' F' ' 2' ' ' VAL . 27.1 t-20 74.05 -73.76 0.09 Allowed 'General case' 0 C--O 1.212 -0.868 0 C-N-CA 122.882 0.473 . . . . 0.0 109.728 -179.708 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' F' F ' 4' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -57.45 -45.83 84.28 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.573 0.225 . . . . 0.0 111.259 179.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 5' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -69.11 -8.8 48.74 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -179.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 6' ' ' LEU . . . . . . . . . . . . . 30.4 mt -113.18 -31.14 6.72 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.698 0.761 . . . . 0.0 110.012 179.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 7' ' ' CYS . . . . . 0.475 ' HB3' ' O ' ' F' ' 3' ' ' ASN . 0.0 OUTLIER -75.09 -41.56 58.45 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 114.746 -1.116 . . . . 0.0 110.62 -179.509 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' F' F ' 8' ' ' GLY . . . . . 0.546 ' HA2' ' HG ' ' F' ' 11' ' ' LEU . . . -60.37 -26.58 64.33 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.996 -0.621 . . . . 0.0 111.957 179.041 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' F' F ' 9' ' ' SER . . . . . 0.497 ' O ' ' HG2' ' H' ' 13' ' ' GLU . 9.3 m -64.72 -19.21 65.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.059 0.457 . . . . 0.0 111.042 179.566 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' F' F ' 10' ' ' HIS . . . . . 0.505 ' HA ' ' HG3' ' F' ' 13' ' ' GLU . 99.0 m-70 -108.36 -15.55 14.44 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.443 -179.144 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' F' F ' 11' ' ' LEU . . . . . 0.618 HD11 ' HB2' ' E' ' 7' ' ' CYS . 36.1 mt -67.86 -34.42 76.67 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 177.601 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' F' F ' 12' ' ' VAL . . . . . 0.66 ' HA ' ' HB2' ' F' ' 15' ' ' LEU . 1.9 m -67.82 -28.47 41.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-N 115.046 -0.979 . . . . 0.0 112.296 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' F' F ' 13' ' ' GLU . . . . . 0.505 ' HG3' ' HA ' ' F' ' 10' ' ' HIS . 25.7 mt-10 -61.24 -53.45 56.67 Favored 'General case' 0 CA--C 1.519 -0.236 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 179.382 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' F' F ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.13 -27.38 64.52 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.635 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 15' ' ' LEU . . . . . 0.66 ' HB2' ' HA ' ' F' ' 12' ' ' VAL . 1.6 mt -57.0 -60.3 3.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.455 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' F' F ' 16' ' ' TYR . . . . . 0.829 ' HB3' ' HE2' ' F' ' 24' ' ' PHE . 0.8 OUTLIER -76.43 -15.51 59.91 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 119.845 -0.742 . . . . 0.0 110.68 -179.337 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' F' F ' 17' ' ' LEU . . . . . 0.858 HD11 ' H5 ' ' K' ' 22' ' ' IPH . 9.0 tt -67.19 -42.05 84.86 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 178.109 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 53.7 t -68.14 -37.19 77.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.362 178.256 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 19' ' ' CYS . . . . . 1.14 ' HB3' ' HB2' ' F' ' 22' ' ' ARG . 74.1 m -72.7 -16.58 61.67 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.395 -0.821 . . . . 0.0 111.785 179.696 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' F' F ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.6 -95.28 0.88 Allowed Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.975 -0.631 . . . . 0.0 111.802 -179.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 21' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -110.01 2.39 19.6 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.903 0.382 . . . . 0.0 110.226 178.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 22' ' ' ARG . . . . . 1.14 ' HB2' ' HB3' ' F' ' 19' ' ' CYS . 75.6 mtt180 -77.9 164.59 25.01 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.083 178.697 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' F' F ' 23' ' ' GLY . . . . . 0.469 ' HA3' HG22 ' H' ' 27' ' ' THR . . . -110.09 -162.13 18.8 Favored Glycine 0 N--CA 1.441 -0.976 0 N-CA-C 110.192 -1.163 . . . . 0.0 110.192 177.551 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' F' F ' 24' ' ' PHE . . . . . 0.829 ' HE2' ' HB3' ' F' ' 16' ' ' TYR . 5.3 p90 -172.3 170.39 5.09 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 117.517 0.659 . . . . 0.0 111.549 179.425 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' F' F ' 25' ' ' PHE . . . . . . . . . . . . . 7.6 p90 -114.98 110.28 19.38 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 177.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 26' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -109.58 119.32 39.04 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.974 -177.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 27' ' ' THR . . . . . 0.477 HG22 ' HA3' ' H' ' 23' ' ' GLY . 3.1 p -124.21 96.65 41.6 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-O 121.114 0.483 . . . . 0.0 110.527 179.574 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' F' F ' 28' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -84.36 45.16 1.66 Allowed 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 123.406 2.737 . . . . 0.0 113.13 -179.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 29' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -91.56 134.69 34.45 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.86 0.362 . . . . 0.0 110.475 179.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 30' ' ' THR . . . . . . . . . . . . . 23.2 m . . . . . 0 C--O 1.25 1.128 0 CA-C-O 117.964 -1.017 . . . . 0.0 109.275 179.684 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' G' G ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.037 0 N-CA-C 112.016 -0.434 . . . . 0.0 112.016 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' G' G ' 2' ' ' ILE . . . . . . . . . . . . . 6.7 tt -138.51 -36.62 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 O-C-N 122.77 -0.253 . . . . 0.0 111.163 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 3' ' ' VAL . . . . . . . . . . . . . 25.4 m -60.77 -38.43 78.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -179.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 4' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -82.04 -1.99 50.27 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.944 0.402 . . . . 0.0 111.55 -179.218 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 5' ' ' GLN . . . . . 0.419 ' HG2' ' SG ' ' G' ' 11' ' ' CYS . 37.4 tt0 -108.82 -40.11 5.14 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 120.986 0.422 . . . . 0.0 110.663 179.564 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' G' G ' 6' ' ' CYS . . . . . . . . . . . . . 75.7 m -90.18 -33.98 16.0 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -178.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 7' ' ' CYS . . . . . 0.642 ' HB2' HD11 ' H' ' 11' ' ' LEU . 14.2 t -91.38 26.0 2.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.139 0.495 . . . . 0.0 111.472 -179.408 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' G' G ' 8' ' ' THR . . . . . . . . . . . . . 6.6 p -126.42 -63.96 1.06 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.969 0.414 . . . . 0.0 110.65 179.114 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 9' ' ' SER . . . . . . . . . . . . . 42.7 m -125.89 14.02 7.96 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.356 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 10' ' ' ILE . . . . . . . . . . . . . 2.2 mp 69.36 140.53 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 CA-C-O 121.697 0.761 . . . . 0.0 110.991 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 11' ' ' CYS . . . . . 0.419 ' SG ' ' HG2' ' G' ' 5' ' ' GLN . 94.6 m -94.56 146.85 23.83 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.831 -179.032 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' G' G ' 12' ' ' SER . . . . . . . . . . . . . 30.3 t -75.39 161.45 29.23 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.47 -0.787 . . . . 0.0 109.461 178.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 13' ' ' LEU . . . . . . . . . . . . . 10.0 tt -55.85 -43.97 77.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.949 0.404 . . . . 0.0 110.697 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -67.31 -32.19 72.99 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.074 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 15' ' ' GLN . . . . . 0.526 ' HA ' ' ND2' ' G' ' 18' ' ' ASN . 86.3 mt-30 -71.06 -39.5 72.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.895 0.379 . . . . 0.0 110.094 178.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' G' G ' 16' ' ' LEU . . . . . . . . . . . . . 94.3 mt -63.97 -38.08 89.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.676 179.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 17' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -65.83 -21.45 66.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.415 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 18' ' ' ASN . . . . . 0.526 ' ND2' ' HA ' ' G' ' 15' ' ' GLN . 83.9 m-20 -66.2 -31.99 73.15 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.339 0.59 . . . . 0.0 109.781 178.527 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' G' G ' 19' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -93.03 -10.6 35.62 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.782 179.346 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 20' ' ' CYS . . . . . 0.597 ' HA ' ' HB3' ' H' ' 24' ' ' PHE . 23.0 t -77.07 162.65 27.33 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.208 -0.906 . . . . 0.0 110.667 -179.803 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' G' G ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.245 0.834 0 CA-C-O 118.577 -0.725 . . . . 0.0 110.263 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' H' H ' 1' ' ' PHE . . . . . . . . . . . . . 42.5 t80 . . . . . 0 N--CA 1.479 1.009 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' H' H ' 2' ' ' VAL . . . . . 0.759 HG22 ' H ' ' H' ' 3' ' ' ASN . 4.6 p -72.68 -176.91 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 179.628 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' H' H ' 3' ' ' ASN . . . . . 0.759 ' H ' HG22 ' H' ' 2' ' ' VAL . 27.5 t-20 74.59 -73.57 0.09 Allowed 'General case' 0 C--O 1.213 -0.84 0 C-N-CA 123.055 0.542 . . . . 0.0 109.561 -179.553 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' H' H ' 4' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -58.14 -44.46 87.85 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.76 0.314 . . . . 0.0 111.545 179.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' H' H ' 5' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -70.13 -8.99 54.13 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -179.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' H' H ' 6' ' ' LEU . . . . . . . . . . . . . 30.0 mt -113.06 -31.7 6.58 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.67 0.747 . . . . 0.0 110.011 179.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' H' H ' 7' ' ' CYS . . . . . 0.485 ' HB3' ' O ' ' H' ' 3' ' ' ASN . 0.0 OUTLIER -74.16 -41.9 60.76 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 114.889 -1.051 . . . . 0.0 110.621 -179.528 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' H' H ' 8' ' ' GLY . . . . . 0.562 ' HA2' ' HG ' ' H' ' 11' ' ' LEU . . . -60.22 -27.17 64.83 Favored Glycine 0 C--N 1.333 0.372 0 C-N-CA 121.06 -0.591 . . . . 0.0 111.939 179.329 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' H' H ' 9' ' ' SER . . . . . 0.493 ' O ' ' HG2' ' F' ' 13' ' ' GLU . 8.9 m -64.19 -19.0 65.03 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.113 0.482 . . . . 0.0 110.897 179.592 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' H' H ' 10' ' ' HIS . . . . . 0.506 ' HA ' ' HG3' ' H' ' 13' ' ' GLU . 98.7 m-70 -108.51 -15.08 14.52 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.49 -179.232 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' H' H ' 11' ' ' LEU . . . . . 0.642 HD11 ' HB2' ' G' ' 7' ' ' CYS . 36.3 mt -68.45 -34.31 75.73 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 177.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' H' H ' 12' ' ' VAL . . . . . 0.65 ' HA ' ' HB2' ' H' ' 15' ' ' LEU . 2.2 m -67.51 -29.18 44.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 114.92 -1.037 . . . . 0.0 112.169 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' H' H ' 13' ' ' GLU . . . . . 0.506 ' HG3' ' HA ' ' H' ' 10' ' ' HIS . 25.8 mt-10 -60.62 -53.98 50.92 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-O 121.392 0.615 . . . . 0.0 109.486 179.33 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' H' H ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.83 -27.64 65.03 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.21 -0.904 . . . . 0.0 110.662 179.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' H' H ' 15' ' ' LEU . . . . . 0.65 ' HB2' ' HA ' ' H' ' 12' ' ' VAL . 1.7 mt -56.62 -60.11 4.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.753 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' H' H ' 16' ' ' TYR . . . . . 0.83 ' HB3' ' HE2' ' H' ' 24' ' ' PHE . 0.9 OUTLIER -76.46 -15.8 59.82 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 119.914 -0.715 . . . . 0.0 110.538 -179.347 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' H' H ' 17' ' ' LEU . . . . . 0.836 HD11 ' H5 ' ' A' ' 22' ' ' IPH . 9.0 tt -66.56 -43.62 84.52 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 177.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 54.8 t -66.65 -38.1 80.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.468 178.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' H' H ' 19' ' ' CYS . . . . . 1.034 ' HB3' ' HB2' ' H' ' 22' ' ' ARG . 74.7 m -71.68 -16.68 62.26 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.756 179.568 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' H' H ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.09 -97.38 0.93 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 121.053 -0.594 . . . . 0.0 111.626 -179.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' H' H ' 21' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -108.24 3.76 23.96 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.846 0.355 . . . . 0.0 110.447 178.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' H' H ' 22' ' ' ARG . . . . . 1.034 ' HB2' ' HB3' ' H' ' 19' ' ' CYS . 74.9 mtt180 -79.08 165.47 23.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.037 178.661 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' H' H ' 23' ' ' GLY . . . . . 0.477 ' HA3' HG22 ' F' ' 27' ' ' THR . . . -110.67 -162.27 18.18 Favored Glycine 0 N--CA 1.444 -0.807 0 N-CA-C 110.338 -1.105 . . . . 0.0 110.338 177.349 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' H' H ' 24' ' ' PHE . . . . . 0.83 ' HE2' ' HB3' ' H' ' 16' ' ' TYR . 5.1 p90 -172.42 170.34 4.99 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 117.562 0.681 . . . . 0.0 111.567 179.395 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' H' H ' 25' ' ' PHE . . . . . . . . . . . . . 6.9 p90 -114.88 110.6 19.91 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 177.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' H' H ' 26' ' ' TYR . . . . . . . . . . . . . 81.9 t80 -109.88 118.72 37.22 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.061 -177.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' H' H ' 27' ' ' THR . . . . . 0.469 HG22 ' HA3' ' F' ' 23' ' ' GLY . 3.4 p -123.14 96.49 44.5 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-O 121.058 0.456 . . . . 0.0 110.422 179.465 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' H' H ' 28' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -84.24 44.36 1.52 Allowed 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 123.273 2.648 . . . . 0.0 113.208 -179.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' H' H ' 29' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -90.79 135.86 33.44 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.879 0.371 . . . . 0.0 110.3 179.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' H' H ' 30' ' ' THR . . . . . . . . . . . . . 25.9 m . . . . . 0 C--O 1.249 1.035 0 CA-C-O 117.97 -1.014 . . . . 0.0 109.136 179.586 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' I' I ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.766 0 N-CA-C 111.485 -0.646 . . . . 0.0 111.485 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' I' I ' 2' ' ' ILE . . . . . . . . . . . . . 6.5 tt -139.88 -35.94 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.627 0.251 . . . . 0.0 111.073 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' I' I ' 3' ' ' VAL . . . . . . . . . . . . . 23.0 m -61.3 -39.08 81.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -179.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' I' I ' 4' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -81.06 -3.06 50.61 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.156 0.503 . . . . 0.0 111.687 -179.047 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' I' I ' 5' ' ' GLN . . . . . 0.406 ' HG2' ' SG ' ' I' ' 11' ' ' CYS . 37.9 tt0 -107.83 -40.04 5.38 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.22 0.533 . . . . 0.0 110.715 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' I' I ' 6' ' ' CYS . . . . . . . . . . . . . 74.6 m -90.29 -34.24 15.82 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -178.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' I' I ' 7' ' ' CYS . . . . . 0.615 ' HB2' HD11 ' J' ' 11' ' ' LEU . 13.7 t -91.21 26.51 2.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.192 0.52 . . . . 0.0 111.224 -179.36 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' I' I ' 8' ' ' THR . . . . . . . . . . . . . 9.7 p -126.99 -64.31 1.01 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.928 0.394 . . . . 0.0 110.594 179.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' I' I ' 9' ' ' SER . . . . . . . . . . . . . 49.8 m -125.41 13.2 8.19 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.379 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' I' I ' 10' ' ' ILE . . . . . . . . . . . . . 2.2 mp 70.18 140.62 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-O 121.662 0.744 . . . . 0.0 111.042 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' I' I ' 11' ' ' CYS . . . . . 0.406 ' SG ' ' HG2' ' I' ' 5' ' ' GLN . 87.1 m -94.51 146.07 24.35 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.926 -178.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' I' I ' 12' ' ' SER . . . . . . . . . . . . . 35.9 t -74.76 162.23 28.88 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.52 178.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' I' I ' 13' ' ' LEU . . . . . . . . . . . . . 9.8 tt -55.85 -44.49 78.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.875 0.369 . . . . 0.0 110.746 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -67.05 -31.47 72.0 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.352 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' I' I ' 15' ' ' GLN . . . . . 0.535 ' HA ' ' ND2' ' I' ' 18' ' ' ASN . 86.3 mt-30 -71.79 -39.95 69.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.002 0.429 . . . . 0.0 109.915 178.747 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' I' I ' 16' ' ' LEU . . . . . . . . . . . . . 94.7 mt -63.31 -38.34 90.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.678 179.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' I' I ' 17' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -65.83 -20.12 66.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.492 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' I' I ' 18' ' ' ASN . . . . . 0.535 ' ND2' ' HA ' ' I' ' 15' ' ' GLN . 84.9 m-20 -66.99 -32.53 73.83 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 121.284 0.564 . . . . 0.0 109.524 178.568 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' I' I ' 19' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -92.85 -10.25 37.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.82 179.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' I' I ' 20' ' ' CYS . . . . . 0.609 ' HA ' ' HB3' ' J' ' 24' ' ' PHE . 24.7 t -77.31 162.87 26.97 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.164 -0.926 . . . . 0.0 110.5 -179.633 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' I' I ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.615 -0.707 . . . . 0.0 110.466 -179.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' J' J ' 1' ' ' PHE . . . . . . . . . . . . . 39.3 t80 . . . . . 0 N--CA 1.479 1.014 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' J' J ' 2' ' ' VAL . . . . . 0.757 HG22 ' H ' ' J' ' 3' ' ' ASN . 4.3 p -73.0 -176.56 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 179.631 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' J' J ' 3' ' ' ASN . . . . . 0.757 ' H ' HG22 ' J' ' 2' ' ' VAL . 24.5 t-20 73.86 -73.41 0.1 Allowed 'General case' 0 C--O 1.212 -0.89 0 C-N-CA 123.053 0.541 . . . . 0.0 109.729 -179.615 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' J' J ' 4' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -57.93 -44.84 87.13 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.697 0.284 . . . . 0.0 111.49 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' J' J ' 5' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -69.88 -8.87 52.18 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.895 -179.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' J' J ' 6' ' ' LEU . . . . . . . . . . . . . 30.0 mt -113.43 -30.59 6.83 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.772 0.796 . . . . 0.0 110.029 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' J' J ' 7' ' ' CYS . . . . . 0.49 ' HB3' ' O ' ' J' ' 3' ' ' ASN . 0.0 OUTLIER -75.57 -41.24 55.22 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 114.776 -1.102 . . . . 0.0 110.655 -179.439 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' J' J ' 8' ' ' GLY . . . . . 0.588 ' HA2' ' HG ' ' J' ' 11' ' ' LEU . . . -61.07 -26.09 65.25 Favored Glycine 0 C--N 1.331 0.282 0 C-N-CA 121.055 -0.593 . . . . 0.0 111.885 179.202 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' J' J ' 9' ' ' SER . . . . . 0.511 ' O ' ' HG2' ' L' ' 13' ' ' GLU . 9.1 m -64.96 -18.94 65.7 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.072 0.463 . . . . 0.0 110.884 179.539 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' J' J ' 10' ' ' HIS . . . . . 0.492 ' HA ' ' HG3' ' J' ' 13' ' ' GLU . 99.0 m-70 -108.6 -15.21 14.48 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 120.844 -0.342 . . . . 0.0 111.513 -179.271 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' J' J ' 11' ' ' LEU . . . . . 0.615 HD11 ' HB2' ' I' ' 7' ' ' CYS . 37.8 mt -68.33 -34.01 75.33 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 177.83 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' J' J ' 12' ' ' VAL . . . . . 0.648 ' HA ' ' HB2' ' J' ' 15' ' ' LEU . 2.0 m -68.01 -28.68 42.07 Favored 'Isoleucine or valine' 0 C--O 1.232 0.147 0 CA-C-N 115.031 -0.986 . . . . 0.0 112.129 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' J' J ' 13' ' ' GLU . . . . . 0.498 ' HG2' ' O ' ' L' ' 9' ' ' SER . 26.0 mt-10 -61.0 -53.52 56.25 Favored 'General case' 0 CA--C 1.517 -0.323 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 179.342 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' J' J ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.35 -27.11 64.09 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.62 179.436 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' J' J ' 15' ' ' LEU . . . . . 0.648 ' HB2' ' HA ' ' J' ' 12' ' ' VAL . 1.7 mt -57.0 -60.46 3.55 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.598 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' J' J ' 16' ' ' TYR . . . . . 0.79 ' HB3' ' HE2' ' J' ' 24' ' ' PHE . 0.9 OUTLIER -76.26 -15.38 60.02 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 119.78 -0.768 . . . . 0.0 110.651 -179.275 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' J' J ' 17' ' ' LEU . . . . . 0.86 HD11 ' H5 ' ' C' ' 22' ' ' IPH . 9.1 tt -67.37 -41.92 84.26 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 178.075 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 53.2 t -68.57 -36.17 73.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.264 178.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' J' J ' 19' ' ' CYS . . . . . 1.102 ' HB3' ' HB2' ' J' ' 22' ' ' ARG . 75.9 m -74.07 -14.85 61.06 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.76 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' J' J ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.84 -95.48 0.72 Allowed Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 121.038 -0.601 . . . . 0.0 111.685 -179.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' J' J ' 21' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -109.34 1.76 20.27 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.856 0.36 . . . . 0.0 110.276 178.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' J' J ' 22' ' ' ARG . . . . . 1.102 ' HB2' ' HB3' ' J' ' 19' ' ' CYS . 73.2 mtt180 -77.51 164.61 25.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.225 178.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' J' J ' 23' ' ' GLY . . . . . 0.502 ' HA3' HG22 ' L' ' 27' ' ' THR . . . -109.68 -162.24 19.31 Favored Glycine 0 N--CA 1.442 -0.943 0 N-CA-C 110.251 -1.14 . . . . 0.0 110.251 177.485 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' J' J ' 24' ' ' PHE . . . . . 0.79 ' HE2' ' HB3' ' J' ' 16' ' ' TYR . 5.2 p90 -172.42 170.15 5.05 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 117.428 0.614 . . . . 0.0 111.441 179.271 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' J' J ' 25' ' ' PHE . . . . . . . . . . . . . 7.5 p90 -115.08 109.67 18.4 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 177.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' J' J ' 26' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -108.85 118.74 37.59 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.017 -177.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' J' J ' 27' ' ' THR . . . . . 0.499 HG22 ' HA3' ' L' ' 23' ' ' GLY . 2.5 p -123.54 97.4 42.2 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-O 121.114 0.483 . . . . 0.0 110.293 179.415 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' J' J ' 28' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -85.22 43.43 1.25 Allowed 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 123.191 2.594 . . . . 0.0 113.377 -178.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' J' J ' 29' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -89.85 135.91 33.36 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.956 0.408 . . . . 0.0 110.31 179.586 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' J' J ' 30' ' ' THR . . . . . . . . . . . . . 31.5 m . . . . . 0 C--O 1.251 1.16 0 CA-C-O 118.567 -0.73 . . . . 0.0 109.927 179.784 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.822 0 N-CA-C 111.721 -0.552 . . . . 0.0 111.721 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' K' K ' 2' ' ' ILE . . . . . . . . . . . . . 7.3 tt -140.45 -36.27 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.812 0.339 . . . . 0.0 111.311 -179.161 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' K' K ' 3' ' ' VAL . . . . . . . . . . . . . 23.8 m -61.4 -39.09 81.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 112.559 0.578 . . . . 0.0 112.559 -179.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' K' K ' 4' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -81.95 -0.78 45.53 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.025 0.44 . . . . 0.0 111.527 -179.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' K' K ' 5' ' ' GLN . . . . . 0.423 ' HG2' ' SG ' ' K' ' 11' ' ' CYS . 37.8 tt0 -109.69 -39.57 5.08 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 121.171 0.51 . . . . 0.0 110.383 179.782 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' K' K ' 6' ' ' CYS . . . . . . . . . . . . . 72.8 m -90.65 -34.43 15.44 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.355 -178.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' K' K ' 7' ' ' CYS . . . . . 0.617 ' HB2' HD11 ' L' ' 11' ' ' LEU . 13.3 t -91.07 26.75 2.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.183 0.516 . . . . 0.0 111.226 -179.462 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' K' K ' 8' ' ' THR . . . . . . . . . . . . . 6.8 p -126.9 -63.9 1.04 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.715 179.264 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' K' K ' 9' ' ' SER . . . . . . . . . . . . . 51.0 m -126.89 14.98 7.44 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.259 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' K' K ' 10' ' ' ILE . . . . . . . . . . . . . 2.3 mp 68.85 141.0 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 CA-C-O 121.715 0.769 . . . . 0.0 111.13 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' K' K ' 11' ' ' CYS . . . . . 0.423 ' SG ' ' HG2' ' K' ' 5' ' ' GLN . 88.3 m -95.11 146.67 24.13 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.807 -178.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' K' K ' 12' ' ' SER . . . . . . . . . . . . . 45.1 t -75.35 163.46 27.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.628 178.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' K' K ' 13' ' ' LEU . . . . . . . . . . . . . 9.6 tt -56.88 -44.45 82.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.928 0.394 . . . . 0.0 110.67 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -67.33 -31.18 71.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.255 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' K' K ' 15' ' ' GLN . . . . . 0.531 ' HA ' ' ND2' ' K' ' 18' ' ' ASN . 86.4 mt-30 -71.65 -40.51 69.64 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 178.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' K' K ' 16' ' ' LEU . . . . . . . . . . . . . 94.5 mt -63.21 -37.63 87.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.841 179.405 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' K' K ' 17' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -66.41 -21.03 66.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.139 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' K' K ' 18' ' ' ASN . . . . . 0.531 ' ND2' ' HA ' ' K' ' 15' ' ' GLN . 85.7 m-20 -66.3 -32.38 73.75 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 178.613 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' K' K ' 19' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -92.88 -10.84 35.17 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.738 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' K' K ' 20' ' ' CYS . . . . . 0.604 ' HA ' ' HB3' ' L' ' 24' ' ' PHE . 25.2 t -77.36 161.34 28.11 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.517 -179.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' K' K ' 21' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.246 0.918 0 CA-C-O 118.634 -0.698 . . . . 0.0 110.57 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' L' L ' 1' ' ' PHE . . . . . . . . . . . . . 37.5 t80 . . . . . 0 N--CA 1.48 1.032 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' L' L ' 2' ' ' VAL . . . . . 0.769 HG22 ' H ' ' L' ' 3' ' ' ASN . 4.5 p -73.95 -176.28 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 179.52 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' L' L ' 3' ' ' ASN . . . . . 0.769 ' H ' HG22 ' L' ' 2' ' ' VAL . 24.3 t-20 74.05 -73.29 0.1 Allowed 'General case' 0 C--O 1.213 -0.838 0 C-N-CA 123.108 0.563 . . . . 0.0 109.897 -179.672 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' L' L ' 4' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -58.06 -44.59 87.58 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.847 0.356 . . . . 0.0 111.509 179.457 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' L' L ' 5' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -70.43 -8.8 53.72 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.749 -179.294 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' L' L ' 6' ' ' LEU . . . . . . . . . . . . . 29.7 mt -113.24 -30.32 6.97 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.664 0.745 . . . . 0.0 110.15 179.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' L' L ' 7' ' ' CYS . . . . . 0.491 ' HB3' ' O ' ' L' ' 3' ' ' ASN . 0.0 OUTLIER -75.64 -41.87 52.97 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.857 -1.065 . . . . 0.0 110.617 -179.389 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' L' L ' 8' ' ' GLY . . . . . 0.566 ' HA2' ' HG ' ' L' ' 11' ' ' LEU . . . -60.17 -27.14 64.65 Favored Glycine 0 C--N 1.331 0.299 0 C-N-CA 121.115 -0.564 . . . . 0.0 112.01 179.197 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' L' L ' 9' ' ' SER . . . . . 0.498 ' O ' ' HG2' ' J' ' 13' ' ' GLU . 7.5 m -64.07 -19.21 65.07 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.09 0.471 . . . . 0.0 110.932 179.413 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' L' L ' 10' ' ' HIS . . . . . 0.489 ' HA ' ' HG3' ' L' ' 13' ' ' GLU . 98.7 m-70 -108.35 -15.35 14.49 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.484 -179.195 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' L' L ' 11' ' ' LEU . . . . . 0.617 HD11 ' HB2' ' K' ' 7' ' ' CYS . 38.4 mt -68.32 -34.13 75.57 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 177.76 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' L' L ' 12' ' ' VAL . . . . . 0.648 ' HA ' ' HB2' ' L' ' 15' ' ' LEU . 2.1 m -68.12 -28.69 41.91 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-N 115.06 -0.973 . . . . 0.0 112.214 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' L' L ' 13' ' ' GLU . . . . . 0.511 ' HG2' ' O ' ' J' ' 9' ' ' SER . 25.9 mt-10 -60.7 -53.69 54.35 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.283 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' L' L ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.13 -27.25 64.42 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.743 179.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' L' L ' 15' ' ' LEU . . . . . 0.648 ' HB2' ' HA ' ' L' ' 12' ' ' VAL . 1.7 mt -56.99 -60.62 3.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.496 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' L' L ' 16' ' ' TYR . . . . . 0.8 ' HB3' ' HE2' ' L' ' 24' ' ' PHE . 0.8 OUTLIER -75.91 -15.5 60.18 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 120.0 -0.68 . . . . 0.0 110.717 -179.289 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' L' L ' 17' ' ' LEU . . . . . 0.862 HD11 ' H5 ' ' E' ' 22' ' ' IPH . 9.1 tt -67.1 -43.32 82.81 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 178.002 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 53.6 t -66.75 -37.78 80.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.495 178.145 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' L' L ' 19' ' ' CYS . . . . . 1.122 ' HB3' ' HB2' ' L' ' 22' ' ' ARG . 74.2 m -71.74 -17.65 62.18 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.662 179.528 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' L' L ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.31 -95.44 0.96 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 121.014 -0.612 . . . . 0.0 111.606 -179.357 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' L' L ' 21' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -110.32 3.56 19.97 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-O 120.952 0.406 . . . . 0.0 110.319 178.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' L' L ' 22' ' ' ARG . . . . . 1.122 ' HB2' ' HB3' ' L' ' 19' ' ' CYS . 73.0 mtt180 -79.52 163.9 24.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.938 -0.573 . . . . 0.0 109.898 178.675 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' L' L ' 23' ' ' GLY . . . . . 0.499 ' HA3' HG22 ' J' ' 27' ' ' THR . . . -109.14 -162.4 19.96 Favored Glycine 0 N--CA 1.442 -0.915 0 N-CA-C 110.548 -1.021 . . . . 0.0 110.548 177.466 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' L' L ' 24' ' ' PHE . . . . . 0.8 ' HE2' ' HB3' ' L' ' 16' ' ' TYR . 5.3 p90 -171.87 170.75 5.36 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 117.477 0.638 . . . . 0.0 111.424 179.423 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' L' L ' 25' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -115.25 110.6 19.69 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 177.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' L' L ' 26' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -109.8 118.79 37.43 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.063 -177.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' L' L ' 27' ' ' THR . . . . . 0.502 HG22 ' HA3' ' J' ' 23' ' ' GLY . 4.1 p -123.64 97.09 42.39 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-O 121.265 0.555 . . . . 0.0 110.677 179.436 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' L' L ' 28' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -84.92 44.38 1.45 Allowed 'Trans proline' 0 C--O 1.236 0.419 0 C-N-CA 123.31 2.673 . . . . 0.0 113.297 -178.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' L' L ' 29' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -90.2 136.66 32.91 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.075 179.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' L' L ' 30' ' ' THR . . . . . . . . . . . . . 29.5 m . . . . . 0 C--O 1.248 0.992 0 CA-C-O 118.021 -0.99 . . . . 0.0 109.489 179.766 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' IPH . . . . . 0.836 ' H5 ' HD11 ' H' ' 17' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 22' ' ' IPH . . . . . 0.86 ' H5 ' HD11 ' J' ' 17' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 22' ' ' IPH . . . . . 0.862 ' H5 ' HD11 ' L' ' 17' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 22' ' ' IPH . . . . . 0.848 ' H5 ' HD11 ' B' ' 17' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' I' I ' 22' ' ' IPH . . . . . 0.833 ' H5 ' HD11 ' D' ' 17' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' K' K ' 22' ' ' IPH . . . . . 0.858 ' H5 ' HD11 ' F' ' 17' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.48 0 N-CA-C 111.651 -0.58 . . . . 0.0 111.651 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.746 HG23 ' H ' ' A' ' 3' ' ' VAL . 14.6 tt 43.18 -78.99 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 C-N-CA 125.006 1.322 . . . . 0.0 114.407 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.746 ' H ' HG23 ' A' ' 2' ' ' ILE . 6.7 t -53.09 -78.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.074 0.464 . . . . 0.0 111.801 -179.471 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -82.84 44.77 0.94 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 122.017 0.913 . . . . 0.0 110.704 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -128.72 -32.81 2.1 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 113.574 -1.648 . . . . 0.0 107.196 178.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.482 ' HA ' ' O ' ' A' ' 9' ' ' SER . 70.1 m -107.9 -22.18 12.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 114.335 -1.302 . . . . 0.0 111.136 -179.617 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 50.5 t -81.41 -36.82 29.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.22 0.533 . . . . 0.0 109.844 179.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.446 ' O ' HG11 ' F' ' 2' ' ' VAL . 3.8 p -82.11 -12.89 57.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.388 179.362 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.482 ' O ' ' HA ' ' A' ' 6' ' ' CYS . 6.0 p -167.37 110.53 0.67 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.161 -0.927 . . . . 0.0 108.946 179.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.597 HD13 ' HA ' ' F' ' 2' ' ' VAL . 1.8 mp -48.07 124.63 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 123.813 0.695 . . . . 0.0 111.938 -178.31 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 84.6 m -87.43 153.92 21.06 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.486 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.7 t -71.83 155.27 40.6 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 178.266 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.8 tt -56.11 -36.13 67.85 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.92 0.391 . . . . 0.0 110.444 -179.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -67.5 -34.08 76.4 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.867 179.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.434 ' HA ' ' ND2' ' A' ' 18' ' ' ASN . 84.4 mt-30 -69.93 -42.03 73.82 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 178.534 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.593 ' HB3' HD23 ' B' ' 15' ' ' LEU . 82.4 mt -67.56 -33.67 75.51 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.944 178.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -62.43 -23.18 66.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.014 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.434 ' ND2' ' HA ' ' A' ' 15' ' ' GLN . 76.9 m-20 -65.42 -20.95 66.59 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.986 0.422 . . . . 0.0 110.759 178.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.474 ' CD1' HD12 ' A' ' 2' ' ' ILE . 32.5 m-85 -106.12 12.33 30.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.413 -179.729 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 48.9 t -95.88 106.18 18.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.208 -179.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.538 ' H ' ' HA ' ' B' ' 24' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--O 1.252 1.199 0 CA-C-O 118.073 -0.965 . . . . 0.0 112.416 179.091 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 5.3 t80 . . . . . 0 N--CA 1.48 1.052 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.644 ' O ' ' HG ' ' B' ' 6' ' ' LEU . 18.0 m -65.98 -48.89 80.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -177.123 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -65.22 -23.87 67.19 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 121.96 -0.462 . . . . 0.0 110.52 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . 0.555 ' HG3' HG11 ' A' ' 3' ' ' VAL . 38.1 tt0 -64.28 -35.87 82.24 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.329 0.585 . . . . 0.0 110.048 178.54 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 68.4 t60 -89.59 -22.15 22.49 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.386 -179.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.644 ' HG ' ' O ' ' B' ' 2' ' ' VAL . 21.8 mt -97.1 -70.82 0.7 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.318 0.58 . . . . 0.0 110.744 -179.6 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 32.3 t -60.89 -35.36 76.45 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.053 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.97 -30.87 64.0 Favored Glycine 0 N--CA 1.45 -0.382 0 CA-C-N 116.076 -0.511 . . . . 0.0 112.95 179.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . 0.439 ' HB3' ' HG2' ' D' ' 13' ' ' GLU . 15.2 m -72.51 -3.01 21.92 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.692 0.282 . . . . 0.0 111.55 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 -117.19 -11.09 10.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.766 0.317 . . . . 0.0 111.098 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.624 HD22 ' H5 ' ' A' ' 22' ' ' IPH . 46.0 mt -70.2 -23.48 62.95 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 178.284 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.897 HG21 HG21 ' D' ' 12' ' ' VAL . 3.5 m -64.44 -37.89 81.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 114.803 -1.09 . . . . 0.0 111.042 178.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.48 ' O ' ' HG ' ' B' ' 17' ' ' LEU . 29.2 mt-10 -61.75 -37.83 85.7 Favored 'General case' 0 C--O 1.232 0.156 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 179.741 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.402 ' O ' HG23 ' B' ' 18' ' ' VAL . . . -62.85 -47.05 85.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.051 178.452 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.593 HD23 ' HB3' ' A' ' 16' ' ' LEU . 54.7 mt -64.68 -44.7 89.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.512 0.673 . . . . 0.0 109.997 178.688 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . 0.433 ' HB2' ' O ' ' B' ' 12' ' ' VAL . 0.7 OUTLIER -54.11 -45.56 71.91 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.659 -1.155 . . . . 0.0 111.993 -179.033 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.752 HD12 HD12 ' H' ' 17' ' ' LEU . 75.3 mt -67.87 -33.39 74.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.132 -179.735 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.402 HG23 ' O ' ' B' ' 14' ' ' ALA . 72.3 t -71.11 -44.89 74.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.002 178.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . 0.86 ' HB3' ' HB3' ' B' ' 22' ' ' ARG . 77.7 m -67.69 -52.4 38.33 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.986 -179.49 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . 0.464 ' O ' ' HB2' ' B' ' 21' ' ' GLU . . . 68.29 86.39 0.09 OUTLIER Glycine 0 CA--C 1.517 0.214 0 C-N-CA 120.721 -0.752 . . . . 0.0 111.907 -179.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.464 ' HB2' ' O ' ' B' ' 20' ' ' GLY . 45.2 mt-10 74.99 -26.41 0.19 Allowed 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.533 0.733 . . . . 0.0 111.315 -178.695 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . 0.86 ' HB3' ' HB3' ' B' ' 19' ' ' CYS . 52.5 ttt180 -69.07 126.63 30.4 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 178.575 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . 0.761 ' HA3' ' HA ' ' D' ' 27' ' ' THR . . . -72.84 150.26 44.25 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.179 -1.01 . . . . 0.0 111.868 -179.679 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . 0.538 ' HA ' ' H ' ' A' ' 21' ' ' ASN . 3.9 p90 -123.97 166.09 16.31 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 120.989 0.423 . . . . 0.0 110.447 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . 0.444 ' CZ ' ' HA ' ' A' ' 19' ' ' TYR . 36.4 p90 -114.81 128.97 56.6 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.369 -0.975 . . . . 0.0 108.369 178.533 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -126.6 93.11 3.7 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.663 -178.363 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . 0.778 ' HA ' ' HA3' ' D' ' 23' ' ' GLY . 16.9 m -126.2 106.34 24.81 Favored Pre-proline 0 C--N 1.317 -0.814 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.629 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . 0.452 ' HB3' HG21 ' A' ' 3' ' ' VAL . 6.5 Cg_exo -74.08 45.32 1.13 Allowed 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 123.505 2.803 . . . . 0.0 111.533 179.67 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.481 ' HB2' HG22 ' B' ' 27' ' ' THR . 28.4 tttp -110.99 4.77 19.81 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.161 -178.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 26.8 m . . . . . 0 C--O 1.247 0.937 0 CA-C-O 117.855 -1.069 . . . . 0.0 108.833 179.884 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.28 0 N-CA-C 111.796 -0.522 . . . . 0.0 111.796 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 2' ' ' ILE . . . . . 0.746 HG23 ' H ' ' C' ' 3' ' ' VAL . 14.4 tt 43.33 -79.5 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 125.033 1.333 . . . . 0.0 114.241 -179.679 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 3' ' ' VAL . . . . . 0.746 ' H ' HG23 ' C' ' 2' ' ' ILE . 5.6 t -52.2 -78.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 121.149 0.5 . . . . 0.0 111.839 -179.491 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -83.04 44.3 0.92 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 122.143 0.973 . . . . 0.0 110.662 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -128.71 -31.27 2.22 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 113.696 -1.593 . . . . 0.0 107.347 178.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 6' ' ' CYS . . . . . 0.478 ' HA ' ' O ' ' C' ' 9' ' ' SER . 67.0 m -109.38 -22.06 12.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.33 -1.304 . . . . 0.0 110.99 -179.717 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 7' ' ' CYS . . . . . . . . . . . . . 46.8 t -81.15 -37.43 28.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.256 0.55 . . . . 0.0 109.784 179.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 8' ' ' THR . . . . . 0.452 ' O ' HG11 ' L' ' 2' ' ' VAL . 4.3 p -82.16 -12.33 58.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.55 179.37 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 9' ' ' SER . . . . . 0.478 ' O ' ' HA ' ' C' ' 6' ' ' CYS . 11.9 p -167.2 110.37 0.69 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.071 179.533 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . 0.596 HD13 ' HA ' ' L' ' 2' ' ' VAL . 1.8 mp -48.07 124.61 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 123.55 0.531 . . . . 0.0 111.803 -178.42 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 84.4 m -87.3 153.49 21.43 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.553 179.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 35.7 t -71.07 155.54 40.68 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 178.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 9.8 tt -56.36 -36.37 68.73 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.988 0.423 . . . . 0.0 110.204 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -67.3 -34.33 77.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.831 179.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -69.53 -42.45 74.65 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 178.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 16' ' ' LEU . . . . . 0.586 ' HB3' HD23 ' D' ' 15' ' ' LEU . 83.5 mt -67.49 -33.23 74.68 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.143 179.045 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -62.89 -22.89 67.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.035 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -66.4 -19.51 65.82 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.85 0.357 . . . . 0.0 110.59 179.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 19' ' ' TYR . . . . . 0.458 ' CD1' HD12 ' C' ' 2' ' ' ILE . 32.7 m-85 -107.22 12.4 28.33 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.094 0.473 . . . . 0.0 109.998 -179.731 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 48.7 t -96.3 105.62 17.72 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.1 -179.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 21' ' ' ASN . . . . . 0.538 ' H ' ' HA ' ' D' ' 24' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--O 1.248 1.01 0 CA-C-O 117.945 -1.026 . . . . 0.0 112.45 179.2 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 5.3 t80 . . . . . 0 N--CA 1.477 0.901 0 CA-C-O 120.87 0.367 . . . . 0.0 111.796 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 2' ' ' VAL . . . . . 0.635 ' O ' ' HG ' ' D' ' 6' ' ' LEU . 18.5 m -67.04 -48.91 77.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 -177.315 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 3' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -65.65 -23.29 66.76 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 122.111 -0.368 . . . . 0.0 110.404 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 4' ' ' GLN . . . . . 0.555 ' HG3' HG11 ' C' ' 3' ' ' VAL . 38.1 tt0 -64.43 -35.65 81.59 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.397 0.618 . . . . 0.0 110.053 178.543 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 5' ' ' HIS . . . . . . . . . . . . . 69.0 t60 -90.2 -21.92 21.93 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.442 -179.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 6' ' ' LEU . . . . . 0.635 ' HG ' ' O ' ' D' ' 2' ' ' VAL . 23.2 mt -96.9 -70.49 0.72 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.249 0.547 . . . . 0.0 110.761 -179.62 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 7' ' ' CYS . . . . . . . . . . . . . 28.6 t -61.25 -34.95 75.99 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.316 -0.856 . . . . 0.0 111.175 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 8' ' ' GLY . . . . . . . . . . . . . . . -58.4 -31.27 66.09 Favored Glycine 0 C--N 1.329 0.193 0 CA-C-N 116.14 -0.482 . . . . 0.0 112.811 179.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 9' ' ' SER . . . . . 0.436 ' HB3' ' HG2' ' B' ' 13' ' ' GLU . 15.1 m -71.82 -3.47 22.41 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.754 0.311 . . . . 0.0 111.507 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 10' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 -116.74 -11.16 10.98 Favored 'General case' 0 CA--C 1.517 -0.309 0 O-C-N 122.115 -0.365 . . . . 0.0 111.33 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 11' ' ' LEU . . . . . 0.61 HD22 ' H5 ' ' C' ' 22' ' ' IPH . 44.0 mt -70.12 -23.41 63.02 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 178.2 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . 0.897 HG21 HG21 ' B' ' 12' ' ' VAL . 3.4 m -64.72 -37.72 80.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 114.781 -1.099 . . . . 0.0 110.959 178.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 13' ' ' GLU . . . . . 0.458 ' O ' ' HG ' ' D' ' 17' ' ' LEU . 29.3 mt-10 -61.76 -38.02 86.45 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 179.749 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 14' ' ' ALA . . . . . 0.413 ' O ' HG23 ' D' ' 18' ' ' VAL . . . -62.8 -46.49 87.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.011 178.477 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 15' ' ' LEU . . . . . 0.586 HD23 ' HB3' ' C' ' 16' ' ' LEU . 55.3 mt -65.16 -44.59 88.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.583 0.706 . . . . 0.0 110.05 178.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 16' ' ' TYR . . . . . 0.446 ' HB2' ' O ' ' D' ' 12' ' ' VAL . 0.8 OUTLIER -53.93 -46.24 71.45 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.515 -1.221 . . . . 0.0 111.84 -179.13 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . 0.726 HD12 HD12 ' J' ' 17' ' ' LEU . 77.2 mt -67.77 -31.66 71.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.234 -179.539 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . 0.413 HG23 ' O ' ' D' ' 14' ' ' ALA . 69.0 t -73.28 -44.49 55.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.375 0.607 . . . . 0.0 109.771 179.188 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 19' ' ' CYS . . . . . 0.879 ' HB3' ' HB3' ' D' ' 22' ' ' ARG . 78.1 m -67.7 -52.44 37.75 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.797 -179.687 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 20' ' ' GLY . . . . . 0.467 ' O ' ' HB2' ' D' ' 21' ' ' GLU . . . 68.15 86.18 0.1 OUTLIER Glycine 0 CA--C 1.518 0.278 0 C-N-CA 120.719 -0.753 . . . . 0.0 111.928 -179.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 21' ' ' GLU . . . . . 0.467 ' HB2' ' O ' ' D' ' 20' ' ' GLY . 44.3 mt-10 75.87 -27.78 0.18 Allowed 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.522 0.729 . . . . 0.0 111.008 -178.631 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 22' ' ' ARG . . . . . 0.879 ' HB3' ' HB3' ' D' ' 19' ' ' CYS . 52.4 ttt180 -68.23 125.78 27.48 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 178.679 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 23' ' ' GLY . . . . . 0.778 ' HA3' ' HA ' ' B' ' 27' ' ' THR . . . -72.03 150.69 46.25 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.144 -1.027 . . . . 0.0 111.791 -179.704 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 24' ' ' PHE . . . . . 0.538 ' HA ' ' H ' ' C' ' 21' ' ' ASN . 3.7 p90 -124.23 166.06 16.53 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 120.959 0.409 . . . . 0.0 110.511 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 25' ' ' PHE . . . . . 0.409 ' CZ ' ' HA ' ' C' ' 19' ' ' TYR . 37.1 p90 -115.06 128.17 56.07 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 178.602 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 26' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -126.12 92.46 3.59 Favored 'General case' 0 C--N 1.319 -0.732 0 C-N-CA 120.257 -0.577 . . . . 0.0 110.724 -178.186 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 27' ' ' THR . . . . . 0.761 ' HA ' ' HA3' ' B' ' 23' ' ' GLY . 23.3 m -125.7 106.39 26.45 Favored Pre-proline 0 C--N 1.32 -0.711 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.613 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 28' ' ' PRO . . . . . 0.467 ' HB3' HG21 ' C' ' 3' ' ' VAL . 6.0 Cg_exo -74.64 48.48 1.91 Allowed 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 123.412 2.741 . . . . 0.0 111.098 179.479 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 29' ' ' LYS . . . . . 0.475 ' HB2' HG22 ' D' ' 27' ' ' THR . 29.0 tttp -113.28 2.55 15.58 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.451 0.643 . . . . 0.0 109.681 -179.067 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 44.9 m . . . . . 0 C--O 1.248 0.982 0 CA-C-O 118.507 -0.759 . . . . 0.0 109.512 179.849 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.21 0 N-CA-C 111.403 -0.679 . . . . 0.0 111.403 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' E' E ' 2' ' ' ILE . . . . . 0.739 HG23 ' H ' ' E' ' 3' ' ' VAL . 14.4 tt 42.58 -78.93 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 N-CA-C 114.617 1.34 . . . . 0.0 114.617 -179.721 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 3' ' ' VAL . . . . . 0.739 ' H ' HG23 ' E' ' 2' ' ' ILE . 5.5 t -52.79 -79.14 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-O 121.133 0.492 . . . . 0.0 111.721 -179.528 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 4' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -82.31 44.84 0.9 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 122.197 0.999 . . . . 0.0 110.819 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -128.98 -32.26 2.08 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 113.649 -1.614 . . . . 0.0 107.162 178.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 6' ' ' CYS . . . . . 0.494 ' HA ' ' O ' ' E' ' 9' ' ' SER . 68.7 m -108.57 -22.24 12.36 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.246 -1.343 . . . . 0.0 111.264 -179.524 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 7' ' ' CYS . . . . . . . . . . . . . 48.3 t -81.01 -37.87 28.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.367 0.603 . . . . 0.0 109.687 179.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 8' ' ' THR . . . . . 0.477 ' O ' HG11 ' J' ' 2' ' ' VAL . 4.0 p -81.03 -13.88 58.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.541 179.258 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 9' ' ' SER . . . . . 0.494 ' O ' ' HA ' ' E' ' 6' ' ' CYS . 12.2 p -166.22 111.02 0.81 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.085 179.423 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 10' ' ' ILE . . . . . 0.564 HD13 ' HA ' ' J' ' 2' ' ' VAL . 1.8 mp -48.15 125.93 2.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 O-C-N 123.729 0.643 . . . . 0.0 111.639 -178.314 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 11' ' ' CYS . . . . . . . . . . . . . 84.8 m -89.14 153.33 21.04 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.396 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 12' ' ' SER . . . . . . . . . . . . . 42.7 t -70.4 154.94 41.34 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.009 -0.738 . . . . 0.0 109.009 178.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 9.9 tt -56.2 -35.58 67.43 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.002 0.429 . . . . 0.0 110.097 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -68.22 -34.62 76.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.902 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . 0.401 ' HA ' ' ND2' ' E' ' 18' ' ' ASN . 83.2 mt-30 -69.42 -42.38 75.11 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 178.568 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 16' ' ' LEU . . . . . 0.584 ' HB3' HD23 ' F' ' 15' ' ' LEU . 81.2 mt -67.32 -33.57 75.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.997 178.771 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 17' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -62.43 -22.83 66.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.098 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 18' ' ' ASN . . . . . 0.401 ' ND2' ' HA ' ' E' ' 15' ' ' GLN . 77.5 m-20 -66.59 -19.43 65.77 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.972 0.415 . . . . 0.0 110.691 179.263 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 19' ' ' TYR . . . . . 0.441 ' CD1' HD12 ' E' ' 2' ' ' ILE . 29.8 m-85 -106.66 11.49 30.33 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.103 0.478 . . . . 0.0 110.259 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 20' ' ' CYS . . . . . . . . . . . . . 48.9 t -95.35 106.36 18.41 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.205 -179.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 21' ' ' ASN . . . . . 0.538 ' H ' ' HA ' ' F' ' 24' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--O 1.248 0.978 0 CA-C-O 117.877 -1.058 . . . . 0.0 112.299 179.013 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' F' F ' 1' ' ' PHE . . . . . . . . . . . . . 5.2 t80 . . . . . 0 N--CA 1.48 1.063 0 CA-C-O 120.822 0.344 . . . . 0.0 111.684 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' F' F ' 2' ' ' VAL . . . . . 0.642 ' O ' ' HG ' ' F' ' 6' ' ' LEU . 17.6 m -66.48 -48.55 80.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 113.32 0.859 . . . . 0.0 113.32 -177.441 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' F' F ' 3' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -65.4 -23.23 66.91 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 122.004 -0.435 . . . . 0.0 110.665 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 4' ' ' GLN . . . . . 0.531 ' HG3' HG11 ' E' ' 3' ' ' VAL . 37.9 tt0 -64.62 -36.14 83.28 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.212 0.529 . . . . 0.0 110.208 178.323 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' F' F ' 5' ' ' HIS . . . . . . . . . . . . . 69.9 t60 -89.76 -22.07 22.34 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.326 -179.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 6' ' ' LEU . . . . . 0.642 ' HG ' ' O ' ' F' ' 2' ' ' VAL . 22.9 mt -96.59 -70.96 0.7 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.321 0.581 . . . . 0.0 110.717 -179.733 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' F' F ' 7' ' ' CYS . . . . . . . . . . . . . 29.1 t -60.82 -35.39 76.38 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.13 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.94 -30.87 63.93 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 121.375 -0.441 . . . . 0.0 112.913 179.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 9' ' ' SER . . . . . 0.465 ' HB3' ' HG2' ' H' ' 13' ' ' GLU . 15.3 m -72.18 -3.77 25.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.591 0.234 . . . . 0.0 111.582 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' F' F ' 10' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 -116.33 -11.22 11.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.892 0.377 . . . . 0.0 111.221 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 11' ' ' LEU . . . . . 0.62 HD22 ' H5 ' ' E' ' 22' ' ' IPH . 44.6 mt -70.06 -23.39 63.08 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 178.239 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' F' F ' 12' ' ' VAL . . . . . 0.893 HG21 HG21 ' H' ' 12' ' ' VAL . 3.5 m -64.7 -38.0 81.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 114.805 -1.089 . . . . 0.0 111.075 178.705 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' F' F ' 13' ' ' GLU . . . . . 0.457 ' O ' ' HG ' ' F' ' 17' ' ' LEU . 29.2 mt-10 -61.4 -38.16 86.06 Favored 'General case' 0 CA--C 1.52 -0.204 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 179.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' F' F ' 14' ' ' ALA . . . . . 0.41 ' O ' HG23 ' F' ' 18' ' ' VAL . . . -62.86 -46.53 87.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.039 178.591 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' F' F ' 15' ' ' LEU . . . . . 0.584 HD23 ' HB3' ' E' ' 16' ' ' LEU . 56.3 mt -65.08 -44.74 87.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.684 0.754 . . . . 0.0 109.952 178.757 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' F' F ' 16' ' ' TYR . . . . . 0.444 ' HB2' ' O ' ' F' ' 12' ' ' VAL . 0.7 OUTLIER -53.75 -46.12 70.8 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.369 -1.287 . . . . 0.0 111.874 -179.105 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' F' F ' 17' ' ' LEU . . . . . 0.747 HD12 HD12 ' L' ' 17' ' ' LEU . 79.3 mt -67.8 -33.31 74.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.971 -179.589 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . 0.41 HG23 ' O ' ' F' ' 14' ' ' ALA . 73.6 t -70.72 -45.53 73.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 121.053 0.454 . . . . 0.0 110.068 178.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' F' F ' 19' ' ' CYS . . . . . 0.896 ' HB3' ' HB3' ' F' ' 22' ' ' ARG . 75.7 m -66.81 -52.92 38.21 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.011 -179.581 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' F' F ' 20' ' ' GLY . . . . . 0.468 ' O ' ' HB2' ' F' ' 21' ' ' GLU . . . 68.64 85.38 0.11 Allowed Glycine 0 CA--C 1.52 0.355 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.022 -179.746 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' F' F ' 21' ' ' GLU . . . . . 0.468 ' HB2' ' O ' ' F' ' 20' ' ' GLY . 42.1 mt-10 76.39 -25.83 0.2 Allowed 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.588 0.755 . . . . 0.0 111.071 -178.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' F' F ' 22' ' ' ARG . . . . . 0.896 ' HB3' ' HB3' ' F' ' 19' ' ' CYS . 54.2 ttt180 -69.94 126.32 29.36 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 178.749 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' F' F ' 23' ' ' GLY . . . . . 0.772 ' HA3' ' HA ' ' H' ' 27' ' ' THR . . . -72.59 149.86 44.07 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.133 -1.032 . . . . 0.0 111.833 -179.587 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' F' F ' 24' ' ' PHE . . . . . 0.538 ' HA ' ' H ' ' E' ' 21' ' ' ASN . 4.0 p90 -123.49 166.86 14.68 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.005 0.431 . . . . 0.0 110.442 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' F' F ' 25' ' ' PHE . . . . . 0.416 ' CZ ' ' HA ' ' E' ' 19' ' ' TYR . 37.5 p90 -115.76 128.29 55.75 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 178.537 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' F' F ' 26' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -126.26 92.32 3.55 Favored 'General case' 0 C--N 1.318 -0.798 0 C-N-CA 120.298 -0.561 . . . . 0.0 110.844 -178.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 27' ' ' THR . . . . . 0.783 ' HA ' ' HA3' ' H' ' 23' ' ' GLY . 19.8 m -125.52 106.31 27.06 Favored Pre-proline 0 C--N 1.317 -0.833 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.515 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' F' F ' 28' ' ' PRO . . . . . 0.438 ' HB3' HG21 ' E' ' 3' ' ' VAL . 6.5 Cg_exo -74.06 44.76 1.04 Allowed 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 123.504 2.802 . . . . 0.0 111.567 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' F' F ' 29' ' ' LYS . . . . . 0.484 ' HB2' HG22 ' F' ' 27' ' ' THR . 28.1 tttp -109.9 3.54 20.68 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.166 -179.002 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' F' F ' 30' ' ' THR . . . . . . . . . . . . . 33.0 m . . . . . 0 C--O 1.247 0.937 0 CA-C-O 118.148 -0.93 . . . . 0.0 108.923 179.722 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' G' G ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.581 0 CA-C-O 119.96 -0.355 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' G' G ' 2' ' ' ILE . . . . . 0.726 HG23 ' H ' ' G' ' 3' ' ' VAL . 14.8 tt 43.1 -80.32 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 N-CA-C 114.376 1.25 . . . . 0.0 114.376 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' G' G ' 3' ' ' VAL . . . . . 0.726 ' H ' HG23 ' G' ' 2' ' ' ILE . 5.9 t -51.48 -77.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-O 121.311 0.577 . . . . 0.0 111.697 -179.243 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' G' G ' 4' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -83.45 45.56 1.06 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 122.043 0.925 . . . . 0.0 110.486 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 5' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -130.69 -31.81 1.74 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 113.681 -1.599 . . . . 0.0 107.324 178.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 6' ' ' CYS . . . . . 0.477 ' HA ' ' O ' ' G' ' 9' ' ' SER . 72.2 m -108.76 -22.32 12.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 114.238 -1.346 . . . . 0.0 111.038 -179.578 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' G' G ' 7' ' ' CYS . . . . . . . . . . . . . 48.9 t -81.24 -37.41 28.63 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.218 0.532 . . . . 0.0 109.684 179.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 8' ' ' THR . . . . . 0.488 ' O ' HG11 ' D' ' 2' ' ' VAL . 3.3 p -81.29 -13.85 58.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.516 179.321 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' G' G ' 9' ' ' SER . . . . . 0.477 ' O ' ' HA ' ' G' ' 6' ' ' CYS . 10.8 p -166.37 110.72 0.79 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.216 -0.902 . . . . 0.0 109.002 179.574 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' G' G ' 10' ' ' ILE . . . . . 0.593 HD13 ' HA ' ' D' ' 2' ' ' VAL . 1.8 mp -48.03 124.49 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 O-C-N 123.608 0.567 . . . . 0.0 111.902 -178.086 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' G' G ' 11' ' ' CYS . . . . . . . . . . . . . 87.1 m -87.14 154.13 20.98 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.586 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 12' ' ' SER . . . . . . . . . . . . . 41.6 t -71.71 155.14 40.81 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 178.333 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 13' ' ' LEU . . . . . . . . . . . . . 9.9 tt -56.54 -34.7 67.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.014 0.435 . . . . 0.0 110.356 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -69.12 -33.25 73.17 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.809 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 15' ' ' GLN . . . . . 0.407 ' HA ' ' ND2' ' G' ' 18' ' ' ASN . 84.1 mt-30 -70.52 -42.93 70.6 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 178.508 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' G' G ' 16' ' ' LEU . . . . . 0.586 ' HB3' HD23 ' H' ' 15' ' ' LEU . 81.2 mt -67.02 -32.76 74.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.115 178.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' G' G ' 17' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -62.93 -23.58 67.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.993 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 18' ' ' ASN . . . . . 0.407 ' ND2' ' HA ' ' G' ' 15' ' ' GLN . 80.7 m-20 -65.39 -21.82 66.72 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.874 0.369 . . . . 0.0 110.684 179.284 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' G' G ' 19' ' ' TYR . . . . . 0.455 ' CD1' HD12 ' G' ' 2' ' ' ILE . 33.2 m-85 -104.76 11.89 33.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.481 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' G' G ' 20' ' ' CYS . . . . . . . . . . . . . 48.8 t -95.61 106.14 18.2 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.281 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 21' ' ' ASN . . . . . 0.533 ' H ' ' HA ' ' H' ' 24' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.065 0 CA-C-O 117.9 -1.048 . . . . 0.0 112.286 179.131 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' H' H ' 1' ' ' PHE . . . . . . . . . . . . . 5.1 t80 . . . . . 0 N--CA 1.482 1.139 0 CA-C-O 120.812 0.339 . . . . 0.0 111.397 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' H' H ' 2' ' ' VAL . . . . . 0.664 ' O ' ' HG ' ' H' ' 6' ' ' LEU . 18.7 m -66.25 -48.26 81.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 -177.272 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' H' H ' 3' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -65.91 -22.65 66.51 Favored 'General case' 0 CA--C 1.516 -0.337 0 O-C-N 122.029 -0.42 . . . . 0.0 110.528 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' H' H ' 4' ' ' GLN . . . . . 0.581 ' HG3' HG11 ' G' ' 3' ' ' VAL . 38.6 tt0 -65.19 -35.25 80.48 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.176 0.512 . . . . 0.0 110.069 178.418 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' H' H ' 5' ' ' HIS . . . . . . . . . . . . . 70.2 t60 -90.55 -21.53 21.73 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.247 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' H' H ' 6' ' ' LEU . . . . . 0.664 ' HG ' ' O ' ' H' ' 2' ' ' VAL . 22.4 mt -97.41 -70.45 0.72 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.282 0.563 . . . . 0.0 110.736 -179.537 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' H' H ' 7' ' ' CYS . . . . . . . . . . . . . 30.5 t -61.15 -35.77 77.99 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.131 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' H' H ' 8' ' ' GLY . . . . . . . . . . . . . . . -57.59 -31.4 63.51 Favored Glycine 0 C--N 1.331 0.254 0 CA-C-N 116.133 -0.485 . . . . 0.0 112.813 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' H' H ' 9' ' ' SER . . . . . 0.42 ' HB3' ' HG2' ' F' ' 13' ' ' GLU . 15.3 m -71.57 -3.82 23.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.725 0.298 . . . . 0.0 111.785 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' H' H ' 10' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 -116.55 -11.25 11.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.809 0.338 . . . . 0.0 111.154 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' H' H ' 11' ' ' LEU . . . . . 0.614 HD22 ' H5 ' ' G' ' 22' ' ' IPH . 44.9 mt -69.94 -23.28 63.17 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 178.352 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' H' H ' 12' ' ' VAL . . . . . 0.893 HG21 HG21 ' F' ' 12' ' ' VAL . 3.6 m -64.99 -37.74 81.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 114.822 -1.081 . . . . 0.0 111.014 178.767 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' H' H ' 13' ' ' GLU . . . . . 0.469 ' O ' ' HG ' ' H' ' 17' ' ' LEU . 29.7 mt-10 -61.83 -37.9 86.15 Favored 'General case' 0 CA--C 1.522 -0.13 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' H' H ' 14' ' ' ALA . . . . . 0.407 ' O ' HG23 ' H' ' 18' ' ' VAL . . . -62.72 -46.66 87.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.033 178.552 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' H' H ' 15' ' ' LEU . . . . . 0.586 HD23 ' HB3' ' G' ' 16' ' ' LEU . 53.8 mt -65.0 -44.92 87.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.614 0.721 . . . . 0.0 109.971 178.719 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' H' H ' 16' ' ' TYR . . . . . 0.441 ' HB2' ' O ' ' H' ' 12' ' ' VAL . 0.7 OUTLIER -53.79 -45.78 70.84 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.47 -1.241 . . . . 0.0 111.895 -179.038 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' H' H ' 17' ' ' LEU . . . . . 0.752 HD12 HD12 ' B' ' 17' ' ' LEU . 79.4 mt -68.02 -32.8 73.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.996 -179.594 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . 0.407 HG23 ' O ' ' H' ' 14' ' ' ALA . 73.3 t -71.66 -44.39 69.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.056 0.455 . . . . 0.0 110.039 179.053 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' H' H ' 19' ' ' CYS . . . . . 0.861 ' HB3' ' HB3' ' H' ' 22' ' ' ARG . 74.7 m -68.19 -51.63 43.55 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.014 -179.595 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' H' H ' 20' ' ' GLY . . . . . 0.46 ' O ' ' HB2' ' H' ' 21' ' ' GLU . . . 67.3 86.52 0.08 OUTLIER Glycine 0 CA--C 1.52 0.358 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.052 -179.708 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' H' H ' 21' ' ' GLU . . . . . 0.46 ' HB2' ' O ' ' H' ' 20' ' ' GLY . 42.2 mt-10 75.45 -26.35 0.19 Allowed 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.623 0.769 . . . . 0.0 111.085 -178.62 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' H' H ' 22' ' ' ARG . . . . . 0.861 ' HB3' ' HB3' ' H' ' 19' ' ' CYS . 53.6 ttt180 -69.51 126.22 29.08 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 178.795 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' H' H ' 23' ' ' GLY . . . . . 0.783 ' HA3' ' HA ' ' F' ' 27' ' ' THR . . . -72.19 151.07 46.52 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.197 -1.002 . . . . 0.0 111.766 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' H' H ' 24' ' ' PHE . . . . . 0.533 ' HA ' ' H ' ' G' ' 21' ' ' ASN . 3.8 p90 -124.94 166.24 16.65 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.025 0.441 . . . . 0.0 110.325 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' H' H ' 25' ' ' PHE . . . . . 0.422 ' CZ ' ' HA ' ' G' ' 19' ' ' TYR . 37.3 p90 -115.24 128.17 55.97 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 178.532 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' H' H ' 26' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -125.88 92.18 3.54 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.854 -178.353 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' H' H ' 27' ' ' THR . . . . . 0.772 ' HA ' ' HA3' ' F' ' 23' ' ' GLY . 22.4 m -125.72 106.2 26.46 Favored Pre-proline 0 C--N 1.315 -0.908 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.505 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' H' H ' 28' ' ' PRO . . . . . 0.492 ' HB3' HG21 ' G' ' 3' ' ' VAL . 6.4 Cg_exo -74.24 46.93 1.46 Allowed 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 123.491 2.794 . . . . 0.0 111.231 179.709 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' H' H ' 29' ' ' LYS . . . . . 0.472 ' HB2' HG22 ' H' ' 27' ' ' THR . 29.4 tttp -112.29 4.63 17.83 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.04 -179.056 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' H' H ' 30' ' ' THR . . . . . . . . . . . . . 34.6 m . . . . . 0 C--O 1.246 0.905 0 CA-C-O 117.987 -1.006 . . . . 0.0 108.848 179.342 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' I' I ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.177 0 N-CA-C 111.618 -0.593 . . . . 0.0 111.618 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' I' I ' 2' ' ' ILE . . . . . 0.75 HG23 ' H ' ' I' ' 3' ' ' VAL . 14.5 tt 43.51 -79.06 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 125.059 1.344 . . . . 0.0 114.233 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' I' I ' 3' ' ' VAL . . . . . 0.75 ' H ' HG23 ' I' ' 2' ' ' ILE . 5.0 t -52.85 -78.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.3 0 CA-C-O 120.977 0.417 . . . . 0.0 111.729 -179.497 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' I' I ' 4' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -83.02 45.94 1.06 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 122.377 1.085 . . . . 0.0 110.718 179.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 5' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -130.05 -32.2 1.85 Allowed 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 113.462 -1.699 . . . . 0.0 107.332 178.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 6' ' ' CYS . . . . . 0.487 ' HA ' ' O ' ' I' ' 9' ' ' SER . 69.0 m -108.14 -23.17 12.08 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 114.339 -1.3 . . . . 0.0 111.074 -179.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' I' I ' 7' ' ' CYS . . . . . . . . . . . . . 47.1 t -80.27 -38.23 31.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.304 0.574 . . . . 0.0 109.749 179.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 8' ' ' THR . . . . . 0.479 ' O ' HG11 ' B' ' 2' ' ' VAL . 3.6 p -81.01 -13.12 59.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.623 179.461 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' I' I ' 9' ' ' SER . . . . . 0.487 ' O ' ' HA ' ' I' ' 6' ' ' CYS . 10.2 p -166.87 110.93 0.74 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.26 -0.882 . . . . 0.0 108.92 179.604 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' I' I ' 10' ' ' ILE . . . . . 0.598 HD13 ' HA ' ' B' ' 2' ' ' VAL . 1.8 mp -48.45 125.01 2.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.249 0.547 . . . . 0.0 111.749 -178.182 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' I' I ' 11' ' ' CYS . . . . . . . . . . . . . 85.2 m -87.57 153.13 21.64 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.218 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 12' ' ' SER . . . . . . . . . . . . . 44.4 t -70.86 155.85 40.3 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 178.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 13' ' ' LEU . . . . . . . . . . . . . 9.9 tt -56.63 -35.96 68.93 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.025 0.441 . . . . 0.0 110.242 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -67.89 -33.13 74.13 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.989 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 15' ' ' GLN . . . . . 0.423 ' HA ' ' ND2' ' I' ' 18' ' ' ASN . 83.0 mt-30 -70.83 -42.11 70.62 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 178.494 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' I' I ' 16' ' ' LEU . . . . . 0.581 ' HB3' HD23 ' J' ' 15' ' ' LEU . 80.4 mt -67.51 -33.93 76.08 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.02 178.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' I' I ' 17' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -61.87 -23.27 66.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.192 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 18' ' ' ASN . . . . . 0.423 ' ND2' ' HA ' ' I' ' 15' ' ' GLN . 80.0 m-20 -65.83 -21.29 66.47 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.952 0.406 . . . . 0.0 110.679 179.241 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' I' I ' 19' ' ' TYR . . . . . 0.473 ' CD1' HD12 ' I' ' 2' ' ' ILE . 30.3 m-85 -105.7 12.45 31.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.402 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' I' I ' 20' ' ' CYS . . . . . . . . . . . . . 48.7 t -95.7 106.54 18.66 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.893 -179.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 21' ' ' ASN . . . . . 0.528 ' H ' ' HA ' ' J' ' 24' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--O 1.248 1.002 0 CA-C-O 117.957 -1.02 . . . . 0.0 112.567 179.313 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' J' J ' 1' ' ' PHE . . . . . . . . . . . . . 5.2 t80 . . . . . 0 N--CA 1.481 1.112 0 CA-C-O 120.814 0.34 . . . . 0.0 111.593 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' J' J ' 2' ' ' VAL . . . . . 0.65 ' O ' ' HG ' ' J' ' 6' ' ' LEU . 17.0 m -66.84 -48.87 78.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 113.164 0.802 . . . . 0.0 113.164 -177.372 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' J' J ' 3' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -65.0 -23.51 67.24 Favored 'General case' 0 C--N 1.328 -0.341 0 O-C-N 122.033 -0.417 . . . . 0.0 110.562 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' J' J ' 4' ' ' GLN . . . . . 0.57 ' HG3' HG11 ' I' ' 3' ' ' VAL . 37.5 tt0 -64.38 -36.07 82.95 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.213 0.53 . . . . 0.0 110.223 178.33 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' J' J ' 5' ' ' HIS . . . . . . . . . . . . . 69.4 t60 -89.76 -22.18 22.29 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.376 -179.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' J' J ' 6' ' ' LEU . . . . . 0.65 ' HG ' ' O ' ' J' ' 2' ' ' VAL . 21.9 mt -96.72 -70.5 0.71 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.386 0.612 . . . . 0.0 110.816 -179.582 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' J' J ' 7' ' ' CYS . . . . . . . . . . . . . 31.5 t -61.15 -35.59 77.52 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.069 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' J' J ' 8' ' ' GLY . . . . . . . . . . . . . . . -58.25 -30.39 64.25 Favored Glycine 0 N--CA 1.453 -0.217 0 CA-C-N 116.055 -0.52 . . . . 0.0 112.949 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' J' J ' 9' ' ' SER . . . . . 0.429 ' HB3' ' HG2' ' L' ' 13' ' ' GLU . 15.1 m -72.73 -2.87 22.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.705 0.288 . . . . 0.0 111.511 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' J' J ' 10' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -117.14 -11.0 10.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.809 0.338 . . . . 0.0 111.32 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' J' J ' 11' ' ' LEU . . . . . 0.614 HD22 ' H5 ' ' I' ' 22' ' ' IPH . 45.5 mt -70.3 -23.78 62.91 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 178.044 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' J' J ' 12' ' ' VAL . . . . . 0.912 HG21 HG21 ' L' ' 12' ' ' VAL . 3.5 m -64.22 -37.75 80.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 114.842 -1.072 . . . . 0.0 111.082 178.707 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' J' J ' 13' ' ' GLU . . . . . 0.48 ' O ' ' HG ' ' J' ' 17' ' ' LEU . 29.2 mt-10 -61.85 -37.76 85.68 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-O 121.239 0.542 . . . . 0.0 109.54 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' J' J ' 14' ' ' ALA . . . . . 0.424 ' O ' HG23 ' J' ' 18' ' ' VAL . . . -63.19 -46.57 86.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.327 -0.852 . . . . 0.0 110.037 178.637 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' J' J ' 15' ' ' LEU . . . . . 0.581 HD23 ' HB3' ' I' ' 16' ' ' LEU . 53.5 mt -64.94 -44.56 89.07 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.557 0.694 . . . . 0.0 109.986 178.73 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' J' J ' 16' ' ' TYR . . . . . 0.444 ' HB2' ' O ' ' J' ' 12' ' ' VAL . 0.8 OUTLIER -53.99 -45.71 71.51 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.513 -1.221 . . . . 0.0 112.076 -178.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' J' J ' 17' ' ' LEU . . . . . 0.726 HD12 HD12 ' D' ' 17' ' ' LEU . 74.8 mt -68.47 -31.97 71.64 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.056 -179.627 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' J' J ' 18' ' ' VAL . . . . . 0.424 HG23 ' O ' ' J' ' 14' ' ' ALA . 73.7 t -72.39 -43.93 63.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.211 0.529 . . . . 0.0 109.944 178.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' J' J ' 19' ' ' CYS . . . . . 0.853 ' HB3' ' HB3' ' J' ' 22' ' ' ARG . 78.2 m -68.35 -51.53 43.3 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.896 -179.587 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' J' J ' 20' ' ' GLY . . . . . 0.468 ' O ' ' HB2' ' J' ' 21' ' ' GLU . . . 67.3 86.15 0.09 OUTLIER Glycine 0 CA--C 1.518 0.245 0 C-N-CA 120.831 -0.7 . . . . 0.0 111.958 -179.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' J' J ' 21' ' ' GLU . . . . . 0.468 ' HB2' ' O ' ' J' ' 20' ' ' GLY . 44.2 mt-10 75.84 -27.45 0.18 Allowed 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.493 0.717 . . . . 0.0 111.069 -178.56 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' J' J ' 22' ' ' ARG . . . . . 0.853 ' HB3' ' HB3' ' J' ' 19' ' ' CYS . 52.9 ttt180 -68.57 125.86 27.84 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 178.739 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' J' J ' 23' ' ' GLY . . . . . 0.764 ' HA3' ' HA ' ' L' ' 27' ' ' THR . . . -72.08 150.58 46.0 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.186 -1.006 . . . . 0.0 111.821 -179.62 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' J' J ' 24' ' ' PHE . . . . . 0.528 ' HA ' ' H ' ' I' ' 21' ' ' ASN . 4.1 p90 -124.17 166.5 15.72 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.943 0.402 . . . . 0.0 110.483 179.789 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' J' J ' 25' ' ' PHE . . . . . 0.424 ' CZ ' ' HA ' ' I' ' 19' ' ' TYR . 37.5 p90 -115.62 127.47 55.23 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 178.536 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' J' J ' 26' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -125.57 93.33 3.82 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.158 0.504 . . . . 0.0 110.802 -178.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' J' J ' 27' ' ' THR . . . . . 0.769 ' HA ' ' HA3' ' L' ' 23' ' ' GLY . 19.8 m -126.25 105.48 24.92 Favored Pre-proline 0 C--N 1.316 -0.86 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.55 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' J' J ' 28' ' ' PRO . . . . . 0.451 ' HB3' HG21 ' I' ' 3' ' ' VAL . 6.2 Cg_exo -74.07 48.34 1.71 Allowed 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 123.405 2.737 . . . . 0.0 111.165 179.445 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' J' J ' 29' ' ' LYS . . . . . 0.482 ' HB2' HG22 ' J' ' 27' ' ' THR . 28.5 tttp -113.08 2.21 15.61 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.821 -179.183 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' J' J ' 30' ' ' THR . . . . . . . . . . . . . 36.9 m . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.175 -0.917 . . . . 0.0 109.137 179.78 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.143 0 N-CA-C 111.136 -0.785 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' K' K ' 2' ' ' ILE . . . . . 0.755 HG23 ' H ' ' K' ' 3' ' ' VAL . 14.0 tt 41.24 -79.29 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 125.45 1.5 . . . . 0.0 114.082 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' K' K ' 3' ' ' VAL . . . . . 0.755 ' H ' HG23 ' K' ' 2' ' ' ILE . 5.5 t -52.57 -78.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.142 0.496 . . . . 0.0 111.822 -179.554 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' K' K ' 4' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -83.27 45.12 1.0 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 122.165 0.983 . . . . 0.0 110.668 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' K' K ' 5' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -128.96 -32.56 2.06 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 113.561 -1.654 . . . . 0.0 107.095 178.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' K' K ' 6' ' ' CYS . . . . . 0.493 ' HA ' ' O ' ' K' ' 9' ' ' SER . 65.4 m -108.45 -21.56 12.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.255 -1.339 . . . . 0.0 111.244 -179.589 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' K' K ' 7' ' ' CYS . . . . . . . . . . . . . 50.0 t -81.79 -36.53 28.32 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.403 0.621 . . . . 0.0 109.683 179.173 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' K' K ' 8' ' ' THR . . . . . 0.468 ' O ' HG11 ' H' ' 2' ' ' VAL . 4.4 p -82.27 -13.51 56.9 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.364 179.364 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' K' K ' 9' ' ' SER . . . . . 0.493 ' O ' ' HA ' ' K' ' 6' ' ' CYS . 11.0 p -166.39 110.69 0.78 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.096 -0.956 . . . . 0.0 108.906 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' K' K ' 10' ' ' ILE . . . . . 0.583 HD13 ' HA ' ' H' ' 2' ' ' VAL . 1.8 mp -48.02 126.04 2.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.396 0.617 . . . . 0.0 111.421 -178.319 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' K' K ' 11' ' ' CYS . . . . . . . . . . . . . 85.4 m -89.3 152.99 21.24 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.221 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' K' K ' 12' ' ' SER . . . . . . . . . . . . . 42.7 t -70.41 155.22 40.98 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 178.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' K' K ' 13' ' ' LEU . . . . . . . . . . . . . 9.9 tt -56.38 -35.91 68.25 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.925 0.393 . . . . 0.0 110.276 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -67.96 -34.41 76.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.84 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' K' K ' 15' ' ' GLN . . . . . 0.412 ' HA ' ' ND2' ' K' ' 18' ' ' ASN . 82.4 mt-30 -68.93 -43.21 75.57 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 178.394 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' K' K ' 16' ' ' LEU . . . . . 0.606 ' HB3' HD23 ' L' ' 15' ' ' LEU . 82.7 mt -66.76 -33.3 75.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.065 178.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' K' K ' 17' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -62.52 -23.14 66.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.152 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' K' K ' 18' ' ' ASN . . . . . 0.412 ' ND2' ' HA ' ' K' ' 15' ' ' GLN . 78.8 m-20 -65.72 -21.9 66.56 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.006 0.431 . . . . 0.0 110.499 179.299 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' K' K ' 19' ' ' TYR . . . . . 0.46 ' CD1' HD12 ' K' ' 2' ' ' ILE . 26.9 m-85 -104.79 12.36 32.77 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.446 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' K' K ' 20' ' ' CYS . . . . . . . . . . . . . 48.5 t -95.96 106.04 18.15 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.24 -179.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' K' K ' 21' ' ' ASN . . . . . 0.52 ' H ' ' HA ' ' L' ' 24' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--O 1.247 0.956 0 CA-C-O 117.974 -1.013 . . . . 0.0 112.427 179.167 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' L' L ' 1' ' ' PHE . . . . . . . . . . . . . 5.6 t80 . . . . . 0 N--CA 1.48 1.072 0 CA-C-O 120.771 0.319 . . . . 0.0 111.309 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' L' L ' 2' ' ' VAL . . . . . 0.67 ' O ' ' HG ' ' L' ' 6' ' ' LEU . 18.1 m -66.27 -48.51 80.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 -177.497 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' L' L ' 3' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -66.07 -22.62 66.43 Favored 'General case' 0 C--O 1.223 -0.292 0 O-C-N 122.046 -0.409 . . . . 0.0 110.57 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' L' L ' 4' ' ' GLN . . . . . 0.57 ' HG3' HG11 ' K' ' 3' ' ' VAL . 37.5 tt0 -65.36 -35.06 79.84 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.232 0.539 . . . . 0.0 110.073 178.417 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' L' L ' 5' ' ' HIS . . . . . . . . . . . . . 70.3 t60 -90.55 -21.82 21.59 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.314 -179.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' L' L ' 6' ' ' LEU . . . . . 0.67 ' HG ' ' O ' ' L' ' 2' ' ' VAL . 22.4 mt -96.72 -70.95 0.7 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.325 0.583 . . . . 0.0 110.669 -179.75 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' L' L ' 7' ' ' CYS . . . . . . . . . . . . . 33.3 t -60.88 -35.57 76.96 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.16 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' L' L ' 8' ' ' GLY . . . . . . . . . . . . . . . -58.22 -30.66 64.54 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 121.149 -0.548 . . . . 0.0 112.822 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' L' L ' 9' ' ' SER . . . . . 0.435 ' HB3' ' HG2' ' J' ' 13' ' ' GLU . 15.3 m -72.02 -3.79 24.92 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.683 0.278 . . . . 0.0 111.582 179.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' L' L ' 10' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 -116.32 -11.39 11.24 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 120.87 0.367 . . . . 0.0 111.291 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' L' L ' 11' ' ' LEU . . . . . 0.624 HD22 ' H5 ' ' K' ' 22' ' ' IPH . 46.6 mt -70.02 -23.26 63.1 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 178.3 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' L' L ' 12' ' ' VAL . . . . . 0.912 HG21 HG21 ' J' ' 12' ' ' VAL . 3.4 m -64.71 -37.72 80.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 114.851 -1.068 . . . . 0.0 110.988 178.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' L' L ' 13' ' ' GLU . . . . . 0.464 ' O ' ' HG ' ' L' ' 17' ' ' LEU . 29.3 mt-10 -61.93 -37.72 85.74 Favored 'General case' 0 CA--C 1.52 -0.195 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 179.693 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' L' L ' 14' ' ' ALA . . . . . 0.409 ' O ' HG23 ' L' ' 18' ' ' VAL . . . -63.01 -46.66 86.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.021 178.54 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' L' L ' 15' ' ' LEU . . . . . 0.606 HD23 ' HB3' ' K' ' 16' ' ' LEU . 51.1 mt -65.12 -44.65 88.02 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.596 0.712 . . . . 0.0 110.056 178.771 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' L' L ' 16' ' ' TYR . . . . . 0.426 ' HB2' ' O ' ' L' ' 12' ' ' VAL . 0.7 OUTLIER -53.91 -45.61 71.21 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.476 -1.238 . . . . 0.0 112.02 -179.139 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' L' L ' 17' ' ' LEU . . . . . 0.747 HD12 HD12 ' F' ' 17' ' ' LEU . 78.9 mt -67.9 -33.49 74.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.939 -179.539 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' L' L ' 18' ' ' VAL . . . . . 0.409 HG23 ' O ' ' L' ' 14' ' ' ALA . 79.4 t -70.99 -45.64 71.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.117 0.484 . . . . 0.0 109.966 178.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' L' L ' 19' ' ' CYS . . . . . 0.861 ' HB3' ' HB3' ' L' ' 22' ' ' ARG . 77.2 m -66.59 -52.62 43.41 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.88 -179.687 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' L' L ' 20' ' ' GLY . . . . . 0.486 ' O ' ' HB2' ' L' ' 21' ' ' GLU . . . 68.53 85.12 0.11 Allowed Glycine 0 C--N 1.333 0.374 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.164 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' L' L ' 21' ' ' GLU . . . . . 0.486 ' HB2' ' O ' ' L' ' 20' ' ' GLY . 41.4 mt-10 76.29 -26.32 0.19 Allowed 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.519 0.728 . . . . 0.0 111.151 -178.602 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' L' L ' 22' ' ' ARG . . . . . 0.861 ' HB3' ' HB3' ' L' ' 19' ' ' CYS . 54.3 ttt180 -69.53 126.5 29.95 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 178.71 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' L' L ' 23' ' ' GLY . . . . . 0.769 ' HA3' ' HA ' ' J' ' 27' ' ' THR . . . -72.62 151.17 45.94 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 119.958 -1.115 . . . . 0.0 111.844 -179.485 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' L' L ' 24' ' ' PHE . . . . . 0.52 ' HA ' ' H ' ' K' ' 21' ' ' ASN . 3.7 p90 -124.69 166.09 16.77 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 120.826 0.346 . . . . 0.0 110.543 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' L' L ' 25' ' ' PHE . . . . . 0.437 ' CZ ' ' HA ' ' K' ' 19' ' ' TYR . 37.5 p90 -114.9 128.62 56.4 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 178.442 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' L' L ' 26' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -126.44 93.2 3.73 Favored 'General case' 0 C--N 1.317 -0.81 0 C-N-CA 120.321 -0.552 . . . . 0.0 110.747 -178.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' L' L ' 27' ' ' THR . . . . . 0.764 ' HA ' ' HA3' ' J' ' 23' ' ' GLY . 18.8 m -126.5 106.41 23.83 Favored Pre-proline 0 C--N 1.317 -0.843 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.544 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' L' L ' 28' ' ' PRO . . . . . 0.45 ' HB3' HG21 ' K' ' 3' ' ' VAL . 5.9 Cg_exo -74.13 45.73 1.22 Allowed 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 123.531 2.82 . . . . 0.0 111.441 179.557 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' L' L ' 29' ' ' LYS . . . . . 0.49 ' HB2' HG22 ' L' ' 27' ' ' THR . 28.7 tttp -111.09 3.57 18.68 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.935 -179.02 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' L' L ' 30' ' ' THR . . . . . . . . . . . . . 51.3 m . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.275 -0.869 . . . . 0.0 109.218 179.622 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' IPH . . . . . 0.624 ' H5 ' HD22 ' B' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 22' ' ' IPH . . . . . 0.61 ' H5 ' HD22 ' D' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 22' ' ' IPH . . . . . 0.62 ' H5 ' HD22 ' F' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 22' ' ' IPH . . . . . 0.614 ' H5 ' HD22 ' H' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 22' ' ' IPH . . . . . 0.614 ' H5 ' HD22 ' J' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' K' K ' 22' ' ' IPH . . . . . 0.624 ' H5 ' HD22 ' L' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.257 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 11.5 tt -81.78 -36.49 14.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-O 120.698 0.285 . . . . 0.0 111.259 -178.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.505 HG11 ' HG3' ' B' ' 4' ' ' GLN . 96.3 t -61.77 -59.84 3.66 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 CA-C-O 120.884 0.373 . . . . 0.0 110.637 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -79.44 61.58 3.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.427 0.632 . . . . 0.0 110.757 179.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.442 ' HG2' ' SG ' ' A' ' 11' ' ' CYS . 32.2 tt0 -172.34 -43.73 0.02 OUTLIER 'General case' 0 C--N 1.312 -1.035 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 95.4 m -89.14 -39.55 13.51 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.745 -1.116 . . . . 0.0 111.226 179.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 79.8 m -91.45 18.28 7.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.25 0.548 . . . . 0.0 109.891 178.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.2 m -104.83 -45.21 4.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.44 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.2 p -156.83 21.86 0.32 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.663 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.653 HG13 ' H6 ' ' A' ' 22' ' ' IPH . 2.3 mp 70.34 125.29 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 CA-C-N 115.476 -0.783 . . . . 0.0 111.617 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.442 ' SG ' ' HG2' ' A' ' 5' ' ' GLN . 85.9 m -81.51 145.17 30.84 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.137 179.787 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.42 ' HB2' ' HG3' ' A' ' 15' ' ' GLN . 17.3 m -73.99 152.15 40.12 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 178.387 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.92 HD11 HD11 ' G' ' 13' ' ' LEU . 7.3 tt -52.73 -48.15 66.89 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -178.361 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -65.65 -22.91 66.69 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -178.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.42 ' HG3' ' HB2' ' A' ' 12' ' ' SER . 26.3 mt-30 -75.54 -27.99 58.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.182 0.515 . . . . 0.0 110.047 178.752 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.7 ' HB3' HD23 ' B' ' 15' ' ' LEU . 86.1 mt -78.23 -23.94 47.19 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.34 -179.646 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -61.8 -21.93 65.02 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.832 -179.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 -81.83 -4.89 57.56 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.319 -179.157 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 18.0 m-30 -105.07 13.79 30.28 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.94 0.4 . . . . 0.0 111.365 -178.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 72.7 m -84.89 154.18 22.4 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.778 179.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 . . . . . 0 C--O 1.252 1.197 0 CA-C-O 118.317 -0.849 . . . . 0.0 109.438 179.58 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 26.6 t80 . . . . . 0 N--CA 1.481 1.119 0 CA-C-O 120.557 0.218 . . . . 0.0 111.077 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.511 ' O ' ' HG ' ' B' ' 6' ' ' LEU . 16.8 m -68.93 -31.81 52.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -178.412 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . 0.419 ' HA ' ' HB2' ' B' ' 6' ' ' LEU . 9.5 m-20 -62.97 -19.32 64.2 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-O 121.113 0.483 . . . . 0.0 110.911 179.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . 0.505 ' HG3' HG11 ' A' ' 3' ' ' VAL . 8.6 tt0 -68.2 -17.17 64.25 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.254 0.549 . . . . 0.0 109.952 178.609 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -118.67 11.5 12.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.387 0.613 . . . . 0.0 109.515 179.243 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' B' ' 2' ' ' VAL . 55.3 mt -126.23 -64.48 1.04 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.446 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . 0.455 ' HB2' HD13 ' F' ' 6' ' ' LEU . 2.8 t -62.45 -46.45 88.47 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.719 -1.128 . . . . 0.0 109.381 178.435 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . 0.647 ' HA2' ' HG ' ' B' ' 11' ' ' LEU . . . -58.89 -30.2 65.99 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.297 178.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . 0.69 ' HB3' ' HG2' ' D' ' 13' ' ' GLU . 7.7 m -71.5 -1.1 12.15 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.755 0.312 . . . . 0.0 111.365 179.656 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 70.2 m-70 -120.56 -11.21 9.11 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-O 120.803 0.335 . . . . 0.0 111.25 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.647 ' HG ' ' HA2' ' B' ' 8' ' ' GLY . 13.9 mt -69.71 -21.82 63.45 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 176.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.46 HG21 HG21 ' D' ' 12' ' ' VAL . 11.2 m -67.94 -46.33 82.16 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 CA-C-N 114.654 -1.157 . . . . 0.0 111.561 179.308 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.706 ' HG2' ' HB3' ' D' ' 9' ' ' SER . 18.9 mt-10 -63.1 -29.54 70.88 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 108.92 -0.771 . . . . 0.0 108.92 178.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.456 ' CB ' ' H3 ' ' A' ' 22' ' ' IPH . . . -69.39 -52.83 23.26 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.463 177.333 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.7 HD23 ' HB3' ' A' ' 16' ' ' LEU . 91.2 mt -58.05 -39.2 77.84 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.986 178.553 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . 0.474 ' CD2' ' HE2' ' B' ' 24' ' ' PHE . 0.4 OUTLIER -54.87 -37.85 66.77 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.937 -1.029 . . . . 0.0 110.745 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.437 ' HG ' ' HB1' ' H' ' 14' ' ' ALA . 4.0 mm? -80.84 -43.55 19.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.646 179.307 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.41 HG23 ' O ' ' B' ' 14' ' ' ALA . 88.8 t -59.06 -48.34 87.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.522 179.629 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . 0.622 ' HB3' ' HB2' ' B' ' 22' ' ' ARG . 66.6 m -72.22 -28.36 63.12 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.877 178.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.96 -98.34 0.29 Allowed Glycine 0 N--CA 1.452 -0.297 0 CA-C-N 115.718 -0.674 . . . . 0.0 113.951 178.457 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -93.34 5.64 50.86 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.257 0.551 . . . . 0.0 110.761 -178.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . 0.622 ' HB2' ' HB3' ' B' ' 19' ' ' CYS . 47.4 mtt85 -103.4 174.38 5.89 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.097 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . 0.745 ' HA2' ' HD2' ' D' ' 28' ' ' PRO . . . -99.61 -171.84 30.53 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.382 -0.914 . . . . 0.0 111.22 178.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . 0.474 ' HE2' ' CD2' ' B' ' 16' ' ' TYR . 5.0 p90 -156.65 149.23 23.54 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.217 0.532 . . . . 0.0 110.252 178.731 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 8.1 p90 -114.92 116.71 28.95 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 179.206 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -105.11 120.77 42.32 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.222 -179.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 3.0 p -123.68 88.89 51.74 Favored Pre-proline 0 C--N 1.32 -0.684 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -178.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . 0.722 ' HD2' ' HA2' ' D' ' 23' ' ' GLY . 86.5 Cg_endo -83.07 13.32 2.68 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 122.906 2.404 . . . . 0.0 109.829 177.363 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 69.8 tttt -110.74 128.9 55.91 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 114.028 -1.442 . . . . 0.0 109.339 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 11.4 t . . . . . 0 C--O 1.245 0.862 0 CA-C-O 118.628 -0.701 . . . . 0.0 109.831 179.891 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.828 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 12.4 tt -82.96 -35.81 12.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 120.925 0.393 . . . . 0.0 111.224 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 3' ' ' VAL . . . . . 0.521 HG11 ' HG3' ' D' ' 4' ' ' GLN . 93.5 t -62.65 -59.91 3.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.753 0.311 . . . . 0.0 110.778 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -79.19 61.05 3.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.6 0.714 . . . . 0.0 111.124 179.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 5' ' ' GLN . . . . . 0.458 ' HG2' ' SG ' ' C' ' 11' ' ' CYS . 32.3 tt0 -171.54 -44.27 0.02 OUTLIER 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 114.337 -1.301 . . . . 0.0 107.658 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 90.9 m -88.39 -39.64 14.14 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.573 -1.194 . . . . 0.0 111.33 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 7' ' ' CYS . . . . . . . . . . . . . 80.1 m -91.08 16.01 10.52 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.153 0.501 . . . . 0.0 110.082 178.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 23.5 m -102.08 -46.59 4.81 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.497 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 5.2 p -155.79 22.88 0.39 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.684 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . 0.662 HG13 ' H6 ' ' C' ' 22' ' ' IPH . 2.3 mp 69.78 127.01 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 CA-C-N 115.283 -0.871 . . . . 0.0 111.384 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 11' ' ' CYS . . . . . 0.458 ' SG ' ' HG2' ' C' ' 5' ' ' GLN . 84.1 m -82.85 146.7 28.75 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.056 179.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . 0.431 ' HB2' ' HG3' ' C' ' 15' ' ' GLN . 19.5 m -75.77 151.35 37.58 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 178.502 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 13' ' ' LEU . . . . . 0.937 HD11 HD11 ' I' ' 13' ' ' LEU . 7.3 tt -51.84 -48.09 64.12 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -178.333 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -65.4 -22.74 66.82 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 -179.009 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . 0.431 ' HG3' ' HB2' ' C' ' 12' ' ' SER . 26.2 mt-30 -75.73 -29.17 58.81 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.293 0.568 . . . . 0.0 109.976 178.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 16' ' ' LEU . . . . . 0.701 ' HB3' HD23 ' D' ' 15' ' ' LEU . 85.1 mt -76.62 -24.5 53.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.389 -179.668 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -60.99 -23.72 65.59 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 112.022 0.378 . . . . 0.0 112.022 -179.463 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 67.1 m-20 -80.61 -3.63 51.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.52 -179.206 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 18.1 m-30 -105.77 13.71 29.25 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.946 0.403 . . . . 0.0 111.062 -178.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 76.7 m -84.79 154.8 22.13 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.962 179.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.394 -0.812 . . . . 0.0 109.381 179.476 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 25.7 t80 . . . . . 0 N--CA 1.479 0.996 0 CA-C-O 120.468 0.175 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 2' ' ' VAL . . . . . 0.51 ' O ' ' HG ' ' D' ' 6' ' ' LEU . 16.5 m -68.76 -32.59 55.49 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 -178.675 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 3' ' ' ASN . . . . . 0.408 ' HA ' ' HB2' ' D' ' 6' ' ' LEU . 9.8 m-20 -62.43 -18.84 62.65 Favored 'General case' 0 C--O 1.223 -0.303 0 CA-C-O 120.948 0.404 . . . . 0.0 110.802 179.661 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 4' ' ' GLN . . . . . 0.521 ' HG3' HG11 ' C' ' 3' ' ' VAL . 8.9 tt0 -68.36 -17.8 64.33 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.05 0.452 . . . . 0.0 109.806 178.49 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 5' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -117.59 10.53 13.47 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.51 0.672 . . . . 0.0 109.752 179.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 6' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' D' ' 2' ' ' VAL . 50.6 mt -125.23 -64.14 1.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.558 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 7' ' ' CYS . . . . . 0.434 ' HB2' HD13 ' L' ' 6' ' ' LEU . 3.1 t -62.22 -46.95 86.6 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.711 -1.131 . . . . 0.0 109.289 178.521 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 8' ' ' GLY . . . . . 0.659 ' HA2' ' HG ' ' D' ' 11' ' ' LEU . . . -58.94 -29.63 65.27 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.339 179.079 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 9' ' ' SER . . . . . 0.706 ' HB3' ' HG2' ' B' ' 13' ' ' GLU . 7.4 m -71.77 -1.02 12.53 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.689 0.281 . . . . 0.0 111.259 179.609 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 10' ' ' HIS . . . . . . . . . . . . . 69.7 m-70 -120.69 -11.06 9.08 Favored 'General case' 0 CA--C 1.51 -0.562 0 CA-C-O 120.801 0.334 . . . . 0.0 111.29 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 11' ' ' LEU . . . . . 0.659 ' HG ' ' HA2' ' D' ' 8' ' ' GLY . 13.9 mt -69.42 -22.2 63.7 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 107.294 -1.373 . . . . 0.0 107.294 176.698 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . 0.46 HG21 HG21 ' B' ' 12' ' ' VAL . 12.0 m -67.76 -46.42 82.52 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 CA-C-N 114.707 -1.133 . . . . 0.0 111.588 179.275 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 13' ' ' GLU . . . . . 0.69 ' HG2' ' HB3' ' B' ' 9' ' ' SER . 19.0 mt-10 -62.94 -29.61 70.93 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 178.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 14' ' ' ALA . . . . . 0.466 ' CB ' ' H3 ' ' C' ' 22' ' ' IPH . . . -69.26 -52.61 25.92 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.477 177.36 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 15' ' ' LEU . . . . . 0.701 HD23 ' HB3' ' C' ' 16' ' ' LEU . 91.7 mt -58.36 -39.16 78.79 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.833 178.691 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 16' ' ' TYR . . . . . 0.498 ' CD2' ' HE2' ' D' ' 24' ' ' PHE . 0.4 OUTLIER -54.88 -37.98 66.96 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.982 -1.008 . . . . 0.0 110.741 179.833 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . 0.428 ' HG ' ' HB1' ' J' ' 14' ' ' ALA . 4.0 mm? -80.82 -43.82 19.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.525 179.128 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . 0.418 HG23 ' O ' ' D' ' 14' ' ' ALA . 85.2 t -58.79 -48.34 86.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.558 179.63 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 19' ' ' CYS . . . . . 0.651 ' HB3' ' HB2' ' D' ' 22' ' ' ARG . 71.4 m -72.32 -28.12 62.87 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.918 179.107 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.39 -99.21 0.31 Allowed Glycine 0 C--N 1.33 0.231 0 CA-C-N 115.492 -0.776 . . . . 0.0 113.78 178.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -91.56 4.26 53.04 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.293 0.568 . . . . 0.0 110.92 -178.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 22' ' ' ARG . . . . . 0.651 ' HB2' ' HB3' ' D' ' 19' ' ' CYS . 47.0 mtt85 -102.21 173.97 6.13 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.04 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 23' ' ' GLY . . . . . 0.722 ' HA2' ' HD2' ' B' ' 28' ' ' PRO . . . -99.97 -171.7 30.04 Favored Glycine 0 N--CA 1.443 -0.846 0 C-N-CA 120.394 -0.907 . . . . 0.0 111.102 178.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 24' ' ' PHE . . . . . 0.498 ' HE2' ' CD2' ' D' ' 16' ' ' TYR . 5.1 p90 -156.66 149.14 23.43 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.274 0.559 . . . . 0.0 110.351 178.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 25' ' ' PHE . . . . . . . . . . . . . 7.4 p90 -114.44 117.76 31.91 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 179.137 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 26' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -106.14 120.17 41.11 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.077 0.465 . . . . 0.0 110.089 -179.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 27' ' ' THR . . . . . . . . . . . . . 3.0 p -123.0 88.23 50.89 Favored Pre-proline 0 C--N 1.321 -0.648 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -178.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 28' ' ' PRO . . . . . 0.745 ' HD2' ' HA2' ' B' ' 23' ' ' GLY . 87.7 Cg_endo -82.15 11.36 3.18 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.615 2.21 . . . . 0.0 109.646 177.388 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 68.3 tttt -108.83 126.97 53.61 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.097 -1.41 . . . . 0.0 109.822 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 12.9 t . . . . . 0 C--O 1.246 0.875 0 CA-C-O 118.655 -0.688 . . . . 0.0 109.705 179.718 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.961 0 N-CA-C 111.987 -0.445 . . . . 0.0 111.987 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' E' E ' 2' ' ' ILE . . . . . . . . . . . . . 11.9 tt -81.35 -36.55 14.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-O 120.683 0.278 . . . . 0.0 111.197 -179.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 3' ' ' VAL . . . . . 0.522 HG11 ' HG3' ' F' ' 4' ' ' GLN . 93.9 t -61.78 -59.74 3.83 Favored 'Isoleucine or valine' 0 C--O 1.238 0.457 0 CA-C-O 120.783 0.325 . . . . 0.0 110.96 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 4' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -79.12 59.23 2.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.753 0.787 . . . . 0.0 111.177 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 5' ' ' GLN . . . . . 0.454 ' HG2' ' SG ' ' E' ' 11' ' ' CYS . 31.7 tt0 -170.12 -42.13 0.02 OUTLIER 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 114.432 -1.258 . . . . 0.0 107.878 179.778 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 6' ' ' CYS . . . . . . . . . . . . . 89.5 m -90.22 -39.89 12.52 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.649 -1.16 . . . . 0.0 110.91 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 7' ' ' CYS . . . . . . . . . . . . . 80.6 m -91.1 16.82 8.97 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.138 0.494 . . . . 0.0 110.097 178.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 25.4 m -103.55 -45.76 4.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.528 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 9' ' ' SER . . . . . . . . . . . . . 7.6 p -156.25 23.1 0.36 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.568 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 10' ' ' ILE . . . . . 0.665 HG13 ' H6 ' ' E' ' 22' ' ' IPH . 2.3 mp 69.17 125.43 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.704 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 11' ' ' CYS . . . . . 0.454 ' SG ' ' HG2' ' E' ' 5' ' ' GLN . 84.4 m -81.29 146.02 30.62 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.95 179.588 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 12' ' ' SER . . . . . 0.423 ' HB2' ' HG3' ' E' ' 15' ' ' GLN . 19.7 m -75.58 150.5 38.04 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 178.383 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 13' ' ' LEU . . . . . 0.916 HD11 HD11 ' K' ' 13' ' ' LEU . 7.1 tt -51.0 -48.05 61.44 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -178.308 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -65.68 -22.51 66.64 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -179.044 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . 0.423 ' HG3' ' HB2' ' E' ' 12' ' ' SER . 26.1 mt-30 -76.03 -28.65 57.8 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 178.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 16' ' ' LEU . . . . . 0.715 ' HB3' HD23 ' F' ' 15' ' ' LEU . 86.2 mt -77.7 -24.5 49.23 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.525 -179.631 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 17' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -61.32 -22.4 64.86 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 111.914 0.339 . . . . 0.0 111.914 -179.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 18' ' ' ASN . . . . . . . . . . . . . 67.3 m-20 -81.17 -6.04 58.39 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.812 0.339 . . . . 0.0 111.265 -179.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 19' ' ' TYR . . . . . . . . . . . . . 17.4 m-30 -103.32 13.3 34.07 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.037 0.446 . . . . 0.0 111.435 -178.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 20' ' ' CYS . . . . . . . . . . . . . 76.2 m -84.4 153.41 23.44 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.752 179.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 21' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 . . . . . 0 C--O 1.253 1.287 0 CA-C-O 118.476 -0.773 . . . . 0.0 109.895 179.807 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' F' F ' 1' ' ' PHE . . . . . . . . . . . . . 30.5 t80 . . . . . 0 N--CA 1.481 1.092 0 CA-C-O 120.727 0.299 . . . . 0.0 111.471 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' F' F ' 2' ' ' VAL . . . . . 0.533 ' O ' ' HG ' ' F' ' 6' ' ' LEU . 15.6 m -69.2 -31.1 48.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -178.146 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' F' F ' 3' ' ' ASN . . . . . 0.42 ' HA ' ' HB2' ' F' ' 6' ' ' LEU . 10.1 m-20 -63.19 -19.1 64.2 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-O 120.994 0.426 . . . . 0.0 110.799 179.486 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' F' F ' 4' ' ' GLN . . . . . 0.522 ' HG3' HG11 ' E' ' 3' ' ' VAL . 8.9 tt0 -68.08 -17.4 64.37 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.31 0.576 . . . . 0.0 109.991 178.669 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' F' F ' 5' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -118.31 10.88 12.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.412 0.625 . . . . 0.0 109.717 179.171 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 6' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' F' ' 2' ' ' VAL . 54.0 mt -125.79 -63.68 1.11 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.673 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' F' F ' 7' ' ' CYS . . . . . 0.462 ' HB2' HD13 ' J' ' 6' ' ' LEU . 2.6 t -63.2 -46.53 86.61 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.777 -1.102 . . . . 0.0 109.157 178.428 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' F' F ' 8' ' ' GLY . . . . . 0.65 ' HA2' ' HG ' ' F' ' 11' ' ' LEU . . . -58.72 -29.77 64.81 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.653 -0.785 . . . . 0.0 112.343 178.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' F' F ' 9' ' ' SER . . . . . 0.677 ' HB3' ' HG2' ' H' ' 13' ' ' GLU . 7.4 m -71.75 -1.38 13.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.664 0.268 . . . . 0.0 111.438 179.732 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' F' F ' 10' ' ' HIS . . . . . . . . . . . . . 72.7 m-70 -120.39 -10.79 9.24 Favored 'General case' 0 CA--C 1.513 -0.472 0 CA-C-O 120.759 0.314 . . . . 0.0 111.227 179.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 11' ' ' LEU . . . . . 0.65 ' HG ' ' HA2' ' F' ' 8' ' ' GLY . 14.4 mt -69.74 -21.92 63.41 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 107.209 -1.404 . . . . 0.0 107.209 176.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' F' F ' 12' ' ' VAL . . . . . 0.45 HG21 HG21 ' H' ' 12' ' ' VAL . 11.9 m -68.0 -46.36 81.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 CA-C-N 114.546 -1.206 . . . . 0.0 111.461 179.328 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' F' F ' 13' ' ' GLU . . . . . 0.677 ' HG2' ' HB3' ' H' ' 9' ' ' SER . 18.8 mt-10 -63.21 -29.48 70.81 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 178.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' F' F ' 14' ' ' ALA . . . . . 0.464 ' CB ' ' H3 ' ' E' ' 22' ' ' IPH . . . -69.25 -52.84 23.63 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.429 177.388 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' F' F ' 15' ' ' LEU . . . . . 0.715 HD23 ' HB3' ' E' ' 16' ' ' LEU . 91.1 mt -58.12 -39.12 77.89 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.97 178.537 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' F' F ' 16' ' ' TYR . . . . . 0.491 ' CD2' ' HE2' ' F' ' 24' ' ' PHE . 0.4 OUTLIER -54.78 -37.97 66.67 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.019 -0.991 . . . . 0.0 110.851 179.895 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' F' F ' 17' ' ' LEU . . . . . 0.415 HD13 ' HA ' ' F' ' 17' ' ' LEU . 4.0 mm? -80.72 -44.17 19.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.501 179.196 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . 0.407 HG23 ' O ' ' F' ' 14' ' ' ALA . 89.3 t -58.61 -48.15 86.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.487 179.57 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' F' F ' 19' ' ' CYS . . . . . 0.631 ' HB3' ' HB2' ' F' ' 22' ' ' ARG . 69.4 m -72.44 -28.02 62.68 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.979 179.077 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' F' F ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.39 -99.37 0.33 Allowed Glycine 0 N--CA 1.452 -0.273 0 CA-C-N 115.563 -0.744 . . . . 0.0 113.763 178.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 21' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -92.44 6.81 45.68 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.115 0.483 . . . . 0.0 110.743 -178.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 22' ' ' ARG . . . . . 0.631 ' HB2' ' HB3' ' F' ' 19' ' ' CYS . 46.6 mtt85 -104.44 173.84 6.13 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.751 -0.658 . . . . 0.0 109.857 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' F' F ' 23' ' ' GLY . . . . . 0.729 ' HA2' ' HD2' ' H' ' 28' ' ' PRO . . . -99.27 -172.29 31.06 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.385 -0.912 . . . . 0.0 111.051 178.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' F' F ' 24' ' ' PHE . . . . . 0.491 ' HE2' ' CD2' ' F' ' 16' ' ' TYR . 4.9 p90 -156.37 149.01 23.73 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.213 0.53 . . . . 0.0 110.473 178.787 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' F' F ' 25' ' ' PHE . . . . . . . . . . . . . 8.0 p90 -114.44 117.78 31.96 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 179.059 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 26' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -106.31 120.24 41.35 Favored 'General case' 0 N--CA 1.445 -0.687 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.175 -179.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 27' ' ' THR . . . . . . . . . . . . . 2.8 p -123.2 88.51 51.19 Favored Pre-proline 0 C--N 1.318 -0.77 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 -178.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 28' ' ' PRO . . . . . 0.71 ' HD2' ' HA2' ' H' ' 23' ' ' GLY . 93.5 Cg_endo -82.39 11.53 3.15 Favored 'Trans proline' 0 N--CA 1.46 -0.487 0 C-N-CA 122.614 2.209 . . . . 0.0 109.676 177.418 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' F' F ' 29' ' ' LYS . . . . . . . . . . . . . 68.3 tttt -109.41 126.87 53.91 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 114.049 -1.432 . . . . 0.0 109.819 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 30' ' ' THR . . . . . . . . . . . . . 9.2 t . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.625 -0.702 . . . . 0.0 109.566 179.742 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' G' G ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.887 0 N-CA-C 111.507 -0.637 . . . . 0.0 111.507 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' G' G ' 2' ' ' ILE . . . . . . . . . . . . . 11.6 tt -82.25 -36.17 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 120.736 0.303 . . . . 0.0 111.332 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 3' ' ' VAL . . . . . 0.544 HG11 ' HG3' ' H' ' 4' ' ' GLN . 87.6 t -62.31 -58.84 5.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.856 0.36 . . . . 0.0 110.697 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' G' G ' 4' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -79.98 61.6 3.92 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.706 0.765 . . . . 0.0 110.847 179.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 5' ' ' GLN . . . . . 0.462 ' HG2' ' SG ' ' G' ' 11' ' ' CYS . 32.6 tt0 -172.19 -44.84 0.02 OUTLIER 'General case' 0 C--N 1.31 -1.146 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' G' G ' 6' ' ' CYS . . . . . . . . . . . . . 95.5 m -87.99 -39.64 14.52 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.653 -1.158 . . . . 0.0 111.109 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 7' ' ' CYS . . . . . . . . . . . . . 79.4 m -91.05 17.2 8.31 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.165 0.507 . . . . 0.0 110.107 178.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 8' ' ' THR . . . . . . . . . . . . . 22.8 m -103.82 -45.89 4.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.435 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 9' ' ' SER . . . . . . . . . . . . . 3.6 p -156.43 22.78 0.35 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.802 179.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 10' ' ' ILE . . . . . 0.652 HG13 ' H6 ' ' G' ' 22' ' ' IPH . 2.3 mp 70.1 125.84 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.726 179.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' G' G ' 11' ' ' CYS . . . . . 0.462 ' SG ' ' HG2' ' G' ' 5' ' ' GLN . 81.1 m -81.77 146.93 29.69 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.071 179.691 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' G' G ' 12' ' ' SER . . . . . 0.437 ' HB2' ' HG3' ' G' ' 15' ' ' GLN . 14.7 m -75.58 151.77 37.81 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 178.372 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' G' G ' 13' ' ' LEU . . . . . 0.92 HD11 HD11 ' A' ' 13' ' ' LEU . 7.3 tt -52.4 -47.37 66.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 123.378 0.424 . . . . 0.0 112.039 -178.667 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -66.11 -22.15 66.38 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 -179.058 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 15' ' ' GLN . . . . . 0.437 ' HG3' ' HB2' ' G' ' 12' ' ' SER . 25.7 mt-30 -77.18 -27.23 53.58 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.188 0.518 . . . . 0.0 109.868 178.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' G' G ' 16' ' ' LEU . . . . . 0.713 ' HB3' HD23 ' H' ' 15' ' ' LEU . 85.6 mt -78.62 -24.47 45.3 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.262 -179.594 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' G' G ' 17' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -61.04 -23.48 65.47 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.807 -179.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 18' ' ' ASN . . . . . . . . . . . . . 68.4 m-20 -80.81 -4.17 53.7 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.485 -179.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 19' ' ' TYR . . . . . . . . . . . . . 17.5 m-30 -105.47 14.36 28.78 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.969 0.414 . . . . 0.0 111.215 -178.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 20' ' ' CYS . . . . . . . . . . . . . 77.4 m -85.28 154.23 22.06 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.158 179.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 21' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 . . . . . 0 C--O 1.253 1.255 0 CA-C-O 118.498 -0.763 . . . . 0.0 109.45 179.659 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' H' H ' 1' ' ' PHE . . . . . . . . . . . . . 28.1 t80 . . . . . 0 N--CA 1.48 1.071 0 N-CA-C 111.528 0.195 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' H' H ' 2' ' ' VAL . . . . . 0.516 ' O ' ' HG ' ' H' ' 6' ' ' LEU . 16.0 m -67.64 -32.23 55.96 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.185 0 N-CA-C 112.856 0.687 . . . . 0.0 112.856 -178.192 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' H' H ' 3' ' ' ASN . . . . . 0.438 ' HA ' ' HB2' ' H' ' 6' ' ' LEU . 11.3 m-20 -62.89 -18.76 63.43 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-O 120.927 0.394 . . . . 0.0 110.822 179.443 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' H' H ' 4' ' ' GLN . . . . . 0.544 ' HG3' HG11 ' G' ' 3' ' ' VAL . 8.8 tt0 -68.24 -17.75 64.38 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-O 121.1 0.476 . . . . 0.0 109.884 178.557 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' H' H ' 5' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -118.14 11.4 13.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.433 0.635 . . . . 0.0 109.578 179.205 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' H' H ' 6' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' H' ' 2' ' ' VAL . 54.1 mt -126.04 -64.37 1.05 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.505 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' H' H ' 7' ' ' CYS . . . . . 0.457 ' HB2' HD13 ' D' ' 6' ' ' LEU . 2.9 t -62.59 -46.61 87.53 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.739 -1.119 . . . . 0.0 109.403 178.363 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' H' H ' 8' ' ' GLY . . . . . 0.649 ' HA2' ' HG ' ' H' ' 11' ' ' LEU . . . -59.05 -29.67 65.68 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.32 178.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' H' H ' 9' ' ' SER . . . . . 0.677 ' HB3' ' HG2' ' F' ' 13' ' ' GLU . 7.7 m -71.82 -1.12 12.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.706 0.289 . . . . 0.0 111.323 179.621 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' H' H ' 10' ' ' HIS . . . . . . . . . . . . . 70.1 m-70 -120.77 -10.82 9.1 Favored 'General case' 0 CA--C 1.509 -0.627 0 CA-C-O 120.763 0.316 . . . . 0.0 111.309 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' H' H ' 11' ' ' LEU . . . . . 0.649 ' HG ' ' HA2' ' H' ' 8' ' ' GLY . 14.3 mt -69.85 -21.77 63.32 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 176.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' H' H ' 12' ' ' VAL . . . . . 0.45 HG21 HG21 ' F' ' 12' ' ' VAL . 11.3 m -67.99 -46.44 81.81 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 CA-C-N 114.575 -1.193 . . . . 0.0 111.583 179.332 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' H' H ' 13' ' ' GLU . . . . . 0.677 ' HG2' ' HB3' ' F' ' 9' ' ' SER . 19.5 mt-10 -62.86 -29.82 71.04 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 178.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' H' H ' 14' ' ' ALA . . . . . 0.447 ' CB ' ' H3 ' ' G' ' 22' ' ' IPH . . . -69.17 -52.66 25.81 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.445 177.428 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' H' H ' 15' ' ' LEU . . . . . 0.713 HD23 ' HB3' ' G' ' 16' ' ' LEU . 91.1 mt -57.83 -39.16 77.0 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.499 0.666 . . . . 0.0 110.092 178.539 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' H' H ' 16' ' ' TYR . . . . . 0.493 ' CD2' ' HE2' ' H' ' 24' ' ' PHE . 0.4 OUTLIER -54.85 -37.77 66.62 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.759 -1.11 . . . . 0.0 110.809 179.883 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' H' H ' 17' ' ' LEU . . . . . 0.428 ' HG ' ' HB1' ' B' ' 14' ' ' ALA . 4.1 mm? -81.42 -43.31 19.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.4 179.357 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . 0.407 HG23 ' O ' ' H' ' 14' ' ' ALA . 84.8 t -59.31 -48.19 87.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.5 179.602 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' H' H ' 19' ' ' CYS . . . . . 0.634 ' HB3' ' HB2' ' H' ' 22' ' ' ARG . 73.7 m -72.39 -28.76 63.19 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.833 179.07 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' H' H ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.39 -98.82 0.34 Allowed Glycine 0 N--CA 1.452 -0.235 0 CA-C-N 115.605 -0.725 . . . . 0.0 113.939 178.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' H' H ' 21' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -92.93 6.62 47.16 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.123 0.487 . . . . 0.0 110.781 -178.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' H' H ' 22' ' ' ARG . . . . . 0.634 ' HB2' ' HB3' ' H' ' 19' ' ' CYS . 48.7 mtt85 -104.46 173.71 6.19 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.705 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' H' H ' 23' ' ' GLY . . . . . 0.71 ' HA2' ' HD2' ' F' ' 28' ' ' PRO . . . -99.63 -171.95 30.53 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.408 -0.901 . . . . 0.0 111.184 178.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' H' H ' 24' ' ' PHE . . . . . 0.493 ' HE2' ' CD2' ' H' ' 16' ' ' TYR . 5.2 p90 -156.48 149.28 23.84 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.208 0.528 . . . . 0.0 110.437 178.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' H' H ' 25' ' ' PHE . . . . . . . . . . . . . 8.0 p90 -114.62 118.02 32.51 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 179.095 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' H' H ' 26' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -106.61 119.86 40.43 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.323 -179.125 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' H' H ' 27' ' ' THR . . . . . . . . . . . . . 3.8 p -122.86 89.3 50.41 Favored Pre-proline 0 C--N 1.318 -0.782 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -178.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' H' H ' 28' ' ' PRO . . . . . 0.729 ' HD2' ' HA2' ' F' ' 23' ' ' GLY . 86.3 Cg_endo -82.68 11.26 3.28 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.591 2.194 . . . . 0.0 109.73 177.406 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' H' H ' 29' ' ' LYS . . . . . . . . . . . . . 69.2 tttt -108.48 129.31 55.28 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 113.904 -1.498 . . . . 0.0 109.401 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' H' H ' 30' ' ' THR . . . . . . . . . . . . . 13.5 t . . . . . 0 C--O 1.248 0.986 0 CA-C-O 118.609 -0.71 . . . . 0.0 109.77 179.949 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' I' I ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.625 0 N-CA-C 111.412 -0.675 . . . . 0.0 111.412 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' I' I ' 2' ' ' ILE . . . . . . . . . . . . . 12.5 tt -81.9 -36.1 13.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.7 0.286 . . . . 0.0 111.31 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' I' I ' 3' ' ' VAL . . . . . 0.544 HG11 ' HG3' ' J' ' 4' ' ' GLN . 86.6 t -62.08 -59.21 4.68 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.968 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' I' I ' 4' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -79.72 59.72 3.16 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.674 0.749 . . . . 0.0 111.117 179.246 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' I' I ' 5' ' ' GLN . . . . . 0.447 ' HG2' ' SG ' ' I' ' 11' ' ' CYS . 31.4 tt0 -170.34 -44.27 0.02 OUTLIER 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 114.301 -1.318 . . . . 0.0 107.62 179.758 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' I' I ' 6' ' ' CYS . . . . . . . . . . . . . 96.0 m -88.57 -39.27 14.25 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 114.594 -1.184 . . . . 0.0 111.226 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' I' I ' 7' ' ' CYS . . . . . . . . . . . . . 79.7 m -91.8 17.57 8.89 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.176 0.512 . . . . 0.0 110.007 178.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' I' I ' 8' ' ' THR . . . . . . . . . . . . . 22.7 m -103.74 -45.92 4.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.536 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' I' I ' 9' ' ' SER . . . . . . . . . . . . . 3.7 p -156.28 22.26 0.36 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.702 179.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' I' I ' 10' ' ' ILE . . . . . 0.655 HG13 ' H6 ' ' I' ' 22' ' ' IPH . 2.3 mp 70.39 127.7 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.399 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' I' I ' 11' ' ' CYS . . . . . 0.447 ' SG ' ' HG2' ' I' ' 5' ' ' GLN . 76.2 m -83.81 146.66 28.01 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.858 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' I' I ' 12' ' ' SER . . . . . . . . . . . . . 19.5 m -75.43 151.94 38.03 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 178.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' I' I ' 13' ' ' LEU . . . . . 0.937 HD11 HD11 ' C' ' 13' ' ' LEU . 7.3 tt -52.51 -47.64 66.5 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -178.57 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -65.55 -23.47 66.87 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -179.022 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -75.13 -28.98 60.4 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.104 0.478 . . . . 0.0 110.052 178.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' I' I ' 16' ' ' LEU . . . . . 0.708 ' HB3' HD23 ' J' ' 15' ' ' LEU . 84.9 mt -76.91 -24.71 52.47 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.48 -179.552 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' I' I ' 17' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -61.01 -22.59 64.68 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.868 0.366 . . . . 0.0 111.919 -179.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' I' I ' 18' ' ' ASN . . . . . . . . . . . . . 64.0 m-20 -81.77 -3.27 53.41 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.381 -178.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' I' I ' 19' ' ' TYR . . . . . . . . . . . . . 18.2 m-30 -106.46 14.25 27.44 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.942 0.401 . . . . 0.0 111.23 -178.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' I' I ' 20' ' ' CYS . . . . . . . . . . . . . 78.9 m -85.05 156.01 21.28 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.023 179.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' I' I ' 21' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 . . . . . 0 C--O 1.254 1.321 0 CA-C-O 118.222 -0.894 . . . . 0.0 109.585 179.722 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' J' J ' 1' ' ' PHE . . . . . . . . . . . . . 28.2 t80 . . . . . 0 N--CA 1.482 1.134 0 CA-C-O 120.669 0.271 . . . . 0.0 111.73 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' J' J ' 2' ' ' VAL . . . . . 0.526 ' O ' ' HG ' ' J' ' 6' ' ' LEU . 16.4 m -69.1 -32.12 52.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 -178.182 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' J' J ' 3' ' ' ASN . . . . . 0.423 ' HA ' ' HB2' ' J' ' 6' ' ' LEU . 10.8 m-20 -62.92 -18.68 63.4 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-O 121.031 0.443 . . . . 0.0 110.91 179.549 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' J' J ' 4' ' ' GLN . . . . . 0.544 ' HG3' HG11 ' I' ' 3' ' ' VAL . 8.7 tt0 -68.65 -17.06 64.02 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.216 0.531 . . . . 0.0 109.86 178.49 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' J' J ' 5' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -118.73 11.06 12.61 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.383 0.611 . . . . 0.0 109.598 179.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' J' J ' 6' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' J' ' 2' ' ' VAL . 53.8 mt -125.68 -64.4 1.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.388 179.712 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' J' J ' 7' ' ' CYS . . . . . 0.436 ' HB2' HD13 ' B' ' 6' ' ' LEU . 3.4 t -62.11 -46.67 88.03 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.745 -1.116 . . . . 0.0 109.385 178.16 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' J' J ' 8' ' ' GLY . . . . . 0.623 ' HA2' ' HG ' ' J' ' 11' ' ' LEU . . . -58.73 -29.92 65.07 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.315 178.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' J' J ' 9' ' ' SER . . . . . 0.701 ' HB3' ' HG2' ' L' ' 13' ' ' GLU . 8.2 m -71.74 -1.44 13.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.717 0.294 . . . . 0.0 111.337 179.746 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' J' J ' 10' ' ' HIS . . . . . . . . . . . . . 71.4 m-70 -120.59 -10.85 9.16 Favored 'General case' 0 CA--C 1.509 -0.62 0 CA-C-O 120.823 0.344 . . . . 0.0 111.277 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' J' J ' 11' ' ' LEU . . . . . 0.623 ' HG ' ' HA2' ' J' ' 8' ' ' GLY . 13.5 mt -69.97 -21.49 63.24 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 176.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' J' J ' 12' ' ' VAL . . . . . 0.448 ' O ' ' HB2' ' J' ' 16' ' ' TYR . 12.1 m -68.24 -46.1 81.67 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 CA-C-N 114.713 -1.131 . . . . 0.0 111.583 179.32 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' J' J ' 13' ' ' GLU . . . . . 0.71 ' HG2' ' HB3' ' L' ' 9' ' ' SER . 19.2 mt-10 -63.28 -29.52 70.83 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 178.776 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' J' J ' 14' ' ' ALA . . . . . 0.48 ' CB ' ' H3 ' ' I' ' 22' ' ' IPH . . . -69.25 -52.99 22.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.438 177.39 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' J' J ' 15' ' ' LEU . . . . . 0.708 HD23 ' HB3' ' I' ' 16' ' ' LEU . 94.1 mt -57.78 -39.1 76.69 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.051 178.512 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' J' J ' 16' ' ' TYR . . . . . 0.497 ' CD2' ' HE2' ' J' ' 24' ' ' PHE . 0.5 OUTLIER -54.74 -38.17 66.81 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.829 -1.078 . . . . 0.0 110.948 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' J' J ' 17' ' ' LEU . . . . . 0.406 HD13 ' HA ' ' J' ' 17' ' ' LEU . 4.0 mm? -81.03 -43.44 19.56 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.583 179.214 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' J' J ' 18' ' ' VAL . . . . . 0.413 HG23 ' O ' ' J' ' 14' ' ' ALA . 84.3 t -59.08 -47.49 89.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.557 179.504 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' J' J ' 19' ' ' CYS . . . . . 0.626 ' HB3' ' HB2' ' J' ' 22' ' ' ARG . 73.4 m -73.17 -29.17 62.66 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.776 179.027 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' J' J ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.34 -99.75 0.41 Allowed Glycine 0 N--CA 1.451 -0.346 0 CA-C-N 115.517 -0.765 . . . . 0.0 113.772 178.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' J' J ' 21' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -91.11 4.43 52.19 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.25 0.548 . . . . 0.0 110.935 -178.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' J' J ' 22' ' ' ARG . . . . . 0.626 ' HB2' ' HB3' ' J' ' 19' ' ' CYS . 49.0 mtt85 -102.43 174.68 5.8 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.027 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' J' J ' 23' ' ' GLY . . . . . 0.726 ' HA2' ' HD2' ' L' ' 28' ' ' PRO . . . -100.36 -171.79 29.57 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.411 -0.9 . . . . 0.0 111.139 179.052 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' J' J ' 24' ' ' PHE . . . . . 0.497 ' HE2' ' CD2' ' J' ' 16' ' ' TYR . 5.0 p90 -156.65 149.31 23.61 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.189 0.519 . . . . 0.0 110.274 178.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' J' J ' 25' ' ' PHE . . . . . . . . . . . . . 8.0 p90 -114.6 117.69 31.6 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 179.064 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' J' J ' 26' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -106.09 120.08 40.88 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.316 -179.24 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' J' J ' 27' ' ' THR . . . . . . . . . . . . . 3.9 p -122.87 88.99 50.49 Favored Pre-proline 0 C--N 1.323 -0.579 0 N-CA-C 112.818 0.674 . . . . 0.0 112.818 -178.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' J' J ' 28' ' ' PRO . . . . . 0.719 ' HD2' ' HA2' ' L' ' 23' ' ' GLY . 90.2 Cg_endo -82.65 11.8 3.1 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.745 2.297 . . . . 0.0 109.658 177.349 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' J' J ' 29' ' ' LYS . . . . . . . . . . . . . 69.8 tttt -109.06 130.53 55.48 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.038 -1.437 . . . . 0.0 109.227 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' J' J ' 30' ' ' THR . . . . . . . . . . . . . 11.6 t . . . . . 0 C--O 1.246 0.914 0 CA-C-O 118.696 -0.669 . . . . 0.0 109.589 -179.951 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.754 0 N-CA-C 111.461 -0.656 . . . . 0.0 111.461 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' K' K ' 2' ' ' ILE . . . . . . . . . . . . . 11.9 tt -81.37 -35.65 14.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.58 0.229 . . . . 0.0 111.413 -179.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' K' K ' 3' ' ' VAL . . . . . 0.529 HG11 ' HG3' ' L' ' 4' ' ' GLN . 98.0 t -62.87 -59.62 4.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.894 0.378 . . . . 0.0 110.668 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' K' K ' 4' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -78.77 58.95 2.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.5 0.667 . . . . 0.0 111.27 179.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' K' K ' 5' ' ' GLN . . . . . 0.427 ' HG2' ' SG ' ' K' ' 11' ' ' CYS . 32.0 tt0 -170.02 -43.37 0.02 OUTLIER 'General case' 0 C--N 1.311 -1.07 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' K' K ' 6' ' ' CYS . . . . . . . . . . . . . 92.3 m -89.09 -39.47 13.61 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.634 -1.167 . . . . 0.0 111.142 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' K' K ' 7' ' ' CYS . . . . . . . . . . . . . 80.6 m -91.73 17.96 8.26 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.103 0.478 . . . . 0.0 110.017 178.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' K' K ' 8' ' ' THR . . . . . . . . . . . . . 24.5 m -104.39 -44.71 4.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.523 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' K' K ' 9' ' ' SER . . . . . . . . . . . . . 4.9 p -157.77 22.59 0.27 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.706 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' K' K ' 10' ' ' ILE . . . . . 0.661 HG13 ' H6 ' ' K' ' 22' ' ' IPH . 2.3 mp 69.81 127.41 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.619 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' K' K ' 11' ' ' CYS . . . . . 0.427 ' SG ' ' HG2' ' K' ' 5' ' ' GLN . 82.2 m -83.48 145.88 28.69 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.964 179.724 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' K' K ' 12' ' ' SER . . . . . 0.417 ' HB2' ' HG3' ' K' ' 15' ' ' GLN . 18.8 m -74.84 152.14 38.96 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 178.429 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' K' K ' 13' ' ' LEU . . . . . 0.916 HD11 HD11 ' E' ' 13' ' ' LEU . 7.3 tt -52.92 -46.89 68.29 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -178.521 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -66.09 -22.71 66.42 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -178.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' K' K ' 15' ' ' GLN . . . . . 0.417 ' HG3' ' HB2' ' K' ' 12' ' ' SER . 25.7 mt-30 -76.14 -28.83 57.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.089 0.471 . . . . 0.0 109.99 178.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' K' K ' 16' ' ' LEU . . . . . 0.703 ' HB3' HD23 ' L' ' 15' ' ' LEU . 85.5 mt -77.2 -24.21 51.38 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.584 -179.655 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' K' K ' 17' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -61.94 -21.98 65.23 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.884 0.373 . . . . 0.0 111.926 -179.401 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' K' K ' 18' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -81.79 -3.44 53.89 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.282 -179.289 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' K' K ' 19' ' ' TYR . . . . . . . . . . . . . 17.4 m-30 -106.52 14.91 26.53 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.873 0.368 . . . . 0.0 111.039 -178.351 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' K' K ' 20' ' ' CYS . . . . . . . . . . . . . 75.2 m -86.01 154.65 21.29 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.911 179.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' K' K ' 21' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 . . . . . 0 C--O 1.251 1.173 0 CA-C-O 118.278 -0.868 . . . . 0.0 109.152 179.494 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' L' L ' 1' ' ' PHE . . . . . . . . . . . . . 28.9 t80 . . . . . 0 N--CA 1.482 1.151 0 N-CA-C 111.489 0.181 . . . . 0.0 111.489 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' L' L ' 2' ' ' VAL . . . . . 0.503 ' O ' ' HG ' ' L' ' 6' ' ' LEU . 15.3 m -67.49 -32.3 56.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 -178.279 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' L' L ' 3' ' ' ASN . . . . . 0.415 ' HA ' ' HB2' ' L' ' 6' ' ' LEU . 10.3 m-20 -62.69 -17.91 61.49 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-O 121.035 0.445 . . . . 0.0 110.884 179.576 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' L' L ' 4' ' ' GLN . . . . . 0.529 ' HG3' HG11 ' K' ' 3' ' ' VAL . 8.7 tt0 -69.76 -16.9 63.39 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.255 0.55 . . . . 0.0 109.826 178.596 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' L' L ' 5' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -118.73 11.56 12.76 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.439 0.638 . . . . 0.0 109.501 179.136 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' L' L ' 6' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' L' ' 2' ' ' VAL . 54.1 mt -126.19 -64.49 1.04 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.373 -0.831 . . . . 0.0 109.478 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' L' L ' 7' ' ' CYS . . . . . 0.44 ' HB2' HD13 ' H' ' 6' ' ' LEU . 2.9 t -62.41 -46.63 87.73 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.758 -1.11 . . . . 0.0 109.305 178.498 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' L' L ' 8' ' ' GLY . . . . . 0.655 ' HA2' ' HG ' ' L' ' 11' ' ' LEU . . . -59.0 -29.69 65.55 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.231 179.069 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' L' L ' 9' ' ' SER . . . . . 0.71 ' HB3' ' HG2' ' J' ' 13' ' ' GLU . 7.4 m -71.97 -0.62 12.0 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.602 0.239 . . . . 0.0 111.256 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' L' L ' 10' ' ' HIS . . . . . . . . . . . . . 69.1 m-70 -121.22 -11.12 8.87 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-O 120.88 0.372 . . . . 0.0 111.216 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' L' L ' 11' ' ' LEU . . . . . 0.655 ' HG ' ' HA2' ' L' ' 8' ' ' GLY . 13.9 mt -69.39 -21.77 63.75 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 176.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' L' L ' 12' ' ' VAL . . . . . 0.437 ' O ' ' HB2' ' L' ' 16' ' ' TYR . 12.2 m -68.29 -46.16 81.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-N 114.543 -1.208 . . . . 0.0 111.521 179.43 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' L' L ' 13' ' ' GLU . . . . . 0.701 ' HG2' ' HB3' ' J' ' 9' ' ' SER . 19.0 mt-10 -63.18 -29.56 70.88 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 178.714 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' L' L ' 14' ' ' ALA . . . . . 0.466 ' CB ' ' H3 ' ' K' ' 22' ' ' IPH . . . -69.23 -52.95 22.68 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.424 177.442 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' L' L ' 15' ' ' LEU . . . . . 0.703 HD23 ' HB3' ' K' ' 16' ' ' LEU . 91.3 mt -57.82 -39.22 77.11 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.915 178.621 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' L' L ' 16' ' ' TYR . . . . . 0.486 ' CD2' ' HE2' ' L' ' 24' ' ' PHE . 0.4 OUTLIER -54.85 -37.78 66.63 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.903 -1.044 . . . . 0.0 110.843 179.933 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' L' L ' 17' ' ' LEU . . . . . 0.422 ' HG ' ' HB1' ' F' ' 14' ' ' ALA . 4.0 mm? -81.22 -43.62 18.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.469 179.18 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' L' L ' 18' ' ' VAL . . . . . 0.412 HG23 ' O ' ' L' ' 14' ' ' ALA . 85.9 t -59.15 -47.39 90.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.485 179.629 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' L' L ' 19' ' ' CYS . . . . . 0.631 ' HB3' ' HB2' ' L' ' 22' ' ' ARG . 70.9 m -73.15 -28.9 62.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.147 -0.478 . . . . 0.0 109.804 179.142 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' L' L ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.01 -98.56 0.37 Allowed Glycine 0 N--CA 1.452 -0.239 0 CA-C-N 115.511 -0.768 . . . . 0.0 113.964 178.325 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' L' L ' 21' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -93.66 6.92 46.7 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.408 0.623 . . . . 0.0 110.697 -178.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' L' L ' 22' ' ' ARG . . . . . 0.631 ' HB2' ' HB3' ' L' ' 19' ' ' CYS . 49.0 mtt85 -104.76 173.94 6.09 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.939 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' L' L ' 23' ' ' GLY . . . . . 0.719 ' HA2' ' HD2' ' J' ' 28' ' ' PRO . . . -99.57 -172.11 30.64 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.42 -0.895 . . . . 0.0 111.078 178.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' L' L ' 24' ' ' PHE . . . . . 0.486 ' HE2' ' CD2' ' L' ' 16' ' ' TYR . 4.9 p90 -156.33 149.66 24.46 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.154 0.502 . . . . 0.0 110.251 178.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' L' L ' 25' ' ' PHE . . . . . . . . . . . . . 8.0 p90 -114.91 118.35 33.24 Favored 'General case' 0 C--N 1.317 -0.848 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 179.098 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' L' L ' 26' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -106.82 119.89 40.54 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-O 120.97 0.414 . . . . 0.0 110.154 -179.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' L' L ' 27' ' ' THR . . . . . . . . . . . . . 3.1 p -122.75 88.65 50.16 Favored Pre-proline 0 C--N 1.323 -0.567 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 -178.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' L' L ' 28' ' ' PRO . . . . . 0.726 ' HD2' ' HA2' ' J' ' 23' ' ' GLY . 95.8 Cg_endo -82.44 11.11 3.3 Favored 'Trans proline' 0 N--CA 1.461 -0.424 0 C-N-CA 122.684 2.256 . . . . 0.0 109.703 177.661 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' L' L ' 29' ' ' LYS . . . . . . . . . . . . . 69.5 tttt -108.84 129.14 55.4 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 113.916 -1.493 . . . . 0.0 109.377 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' L' L ' 30' ' ' THR . . . . . . . . . . . . . 13.1 t . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.57 -0.728 . . . . 0.0 110.128 -179.775 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' IPH . . . . . 0.653 ' H6 ' HG13 ' A' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 22' ' ' IPH . . . . . 0.662 ' H6 ' HG13 ' C' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 22' ' ' IPH . . . . . 0.665 ' H6 ' HG13 ' E' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 22' ' ' IPH . . . . . 0.652 ' H6 ' HG13 ' G' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' I' I ' 22' ' ' IPH . . . . . 0.655 ' H6 ' HG13 ' I' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' K' K ' 22' ' ' IPH . . . . . 0.661 ' H6 ' HG13 ' K' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.35 0 N-CA-C 111.838 -0.505 . . . . 0.0 111.838 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.6 tt -163.63 -43.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-O 120.641 0.258 . . . . 0.0 110.581 179.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.555 HG11 ' CD ' ' B' ' 4' ' ' GLN . 46.3 t -71.69 -75.57 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 C-N-CA 120.914 -0.314 . . . . 0.0 111.651 -179.194 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 79.0 tt0 -57.13 -33.64 67.58 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.893 0.378 . . . . 0.0 110.402 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -55.86 -40.02 72.32 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.543 179.291 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 70.9 m -101.84 -27.58 12.92 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -179.114 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.685 ' HB2' HD11 ' B' ' 11' ' ' LEU . 42.4 t -84.85 41.62 0.87 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.457 0.646 . . . . 0.0 111.015 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.9 t -127.79 -44.01 1.51 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 178.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.445 ' O ' ' HB ' ' A' ' 10' ' ' ILE . 52.7 m -158.06 19.57 0.25 Allowed 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 120.486 0.184 . . . . 0.0 110.691 179.197 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.581 ' CD1' ' H ' ' F' ' 3' ' ' ASN . 1.9 mp 73.16 136.54 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.499 0 C-N-CA 123.133 0.573 . . . . 0.0 111.202 -179.504 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 97.9 m -91.57 175.24 6.98 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.114 0.483 . . . . 0.0 111.042 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.0 m -79.68 161.96 25.51 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.162 178.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.91 -56.44 21.06 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.168 -178.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -66.64 -17.99 65.13 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.876 0.369 . . . . 0.0 111.417 -179.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.408 HE21 ' HB2' ' A' ' 15' ' ' GLN . 6.8 tt0 -71.26 -31.59 67.7 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.018 179.443 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.0 mt -74.94 -30.32 61.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.456 178.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -63.44 -16.78 61.58 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.168 -179.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -71.25 -12.83 61.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.893 0.378 . . . . 0.0 110.858 179.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -106.1 15.95 25.66 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.201 0.524 . . . . 0.0 110.807 -178.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 11.8 m -92.32 155.3 18.02 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.117 179.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 59.8 m-80 . . . . . 0 C--O 1.249 1.036 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.563 178.932 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 66.4 t80 . . . . . 0 N--CA 1.479 0.996 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.504 ' HB ' HD11 ' I' ' 10' ' ' ILE . 10.3 m -116.31 169.93 6.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.837 179.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . 0.565 ' H ' ' CD1' ' I' ' 10' ' ' ILE . 3.1 t-20 -105.1 -170.28 1.73 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.646 -178.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . 0.56 ' OE1' ' HA ' ' B' ' 28' ' ' PRO . 5.3 tt0 -53.1 -34.8 58.25 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.067 179.39 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . 0.567 ' HB3' HG12 ' I' ' 10' ' ' ILE . 23.6 t60 -54.49 -18.56 4.43 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.604 -0.726 . . . . 0.0 112.626 -178.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.616 HD21 ' C4 ' ' I' ' 22' ' ' IPH . 36.4 mt -124.81 -14.17 6.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.923 0.392 . . . . 0.0 110.983 178.547 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . 0.432 ' HB3' ' HA ' ' B' ' 4' ' ' GLN . 19.6 t -86.7 -40.27 15.23 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.928 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . 0.49 ' O ' HG22 ' B' ' 12' ' ' VAL . . . -60.74 -30.09 71.72 Favored Glycine 0 N--CA 1.451 -0.315 0 CA-C-N 116.075 -0.511 . . . . 0.0 113.869 -179.151 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . 0.975 ' HB2' ' HG2' ' D' ' 13' ' ' GLU . 27.2 p -61.63 -24.16 66.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.955 0.407 . . . . 0.0 111.397 -179.083 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -99.04 -17.13 18.42 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.899 0.381 . . . . 0.0 111.004 -179.109 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.685 HD11 ' HB2' ' A' ' 7' ' ' CYS . 71.9 mt -73.88 -38.8 64.3 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 177.636 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.49 HG22 ' O ' ' B' ' 8' ' ' GLY . 2.8 m -69.54 -28.93 39.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.145 179.18 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.995 ' HG2' ' HB2' ' D' ' 9' ' ' SER . 40.1 mt-10 -57.48 -46.7 83.4 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 121.18 0.514 . . . . 0.0 109.897 179.548 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.0 -29.94 58.35 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.877 179.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.486 HD12 ' HA ' ' B' ' 12' ' ' VAL . 14.2 mt -55.49 -58.85 6.07 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.77 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . 0.954 ' HB3' ' HE2' ' B' ' 24' ' ' PHE . 8.1 p90 -77.13 -16.79 59.02 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.027 -0.669 . . . . 0.0 111.077 -179.164 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.545 HD11 ' H5 ' ' G' ' 22' ' ' IPH . 9.4 tp -67.06 -42.99 83.8 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 178.495 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 78.7 t -79.21 -42.71 23.74 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 CA-C-N 114.819 -1.082 . . . . 0.0 109.385 178.361 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -86.99 51.53 2.27 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.724 179.584 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.9 127.54 38.82 Favored Glycine 0 N--CA 1.449 -0.493 0 CA-C-N 115.538 -0.756 . . . . 0.0 113.368 -178.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.511 ' HA ' ' O ' ' D' ' 28' ' ' PRO . 50.5 mt-10 62.22 30.57 17.65 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 123.402 0.681 . . . . 0.0 112.71 179.105 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 16.9 mtt180 -118.91 -103.23 0.41 Allowed 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 177.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . 0.501 ' HA2' ' HD3' ' D' ' 28' ' ' PRO . . . 156.48 147.47 4.77 Favored Glycine 0 N--CA 1.445 -0.707 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.585 179.657 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . 0.954 ' HE2' ' HB3' ' B' ' 16' ' ' TYR . 32.3 p90 -146.61 178.87 7.96 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.727 0.299 . . . . 0.0 110.304 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -128.46 151.21 49.66 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 178.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 25.6 t80 -140.79 124.56 17.08 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.038 0.447 . . . . 0.0 110.782 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 8.1 p -119.92 111.87 35.43 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.841 179.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . 0.56 ' HA ' ' OE1' ' B' ' 4' ' ' GLN . 8.9 Cg_exo -71.98 70.64 2.91 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 123.239 2.626 . . . . 0.0 111.677 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -120.46 175.79 5.81 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.078 -179.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 12.8 t . . . . . 0 C--O 1.251 1.137 0 CA-C-O 118.903 -0.57 . . . . 0.0 109.483 179.587 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.361 0 N-CA-C 111.607 -0.597 . . . . 0.0 111.607 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 7.3 tt -165.93 -44.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-O 120.965 0.412 . . . . 0.0 110.814 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 3' ' ' VAL . . . . . 0.567 HG11 ' CD ' ' D' ' 4' ' ' GLN . 45.4 t -71.63 -75.34 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 C-N-CA 120.868 -0.333 . . . . 0.0 111.424 -179.483 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 73.6 tt0 -57.21 -32.82 66.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.074 0.464 . . . . 0.0 110.679 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -57.35 -38.94 74.94 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.569 179.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 71.3 m -102.57 -27.37 12.79 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -179.049 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 7' ' ' CYS . . . . . 0.672 ' HB2' HD11 ' D' ' 11' ' ' LEU . 42.0 t -85.02 40.68 0.83 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.321 0.581 . . . . 0.0 110.977 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 8.4 t -126.75 -42.87 1.74 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 178.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 9' ' ' SER . . . . . 0.442 ' O ' ' HB ' ' C' ' 10' ' ' ILE . 59.2 m -159.23 19.89 0.19 Allowed 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.592 179.171 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . 0.576 HG12 ' HB3' ' L' ' 5' ' ' HIS . 1.9 mp 72.75 137.14 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 CA-C-O 121.277 0.56 . . . . 0.0 111.327 -179.386 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 99.6 m -92.41 174.95 7.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.972 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 7.0 m -79.46 160.96 26.38 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.135 179.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.09 -55.86 28.72 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.354 -179.298 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -67.1 -18.27 65.25 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.921 0.391 . . . . 0.0 111.415 -179.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -70.45 -32.36 69.9 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.93 179.185 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 96.2 mt -74.32 -30.44 62.06 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.699 179.026 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -63.62 -15.66 58.8 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.999 -179.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -72.12 -14.35 61.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.095 0.474 . . . . 0.0 110.795 179.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -104.78 15.96 26.89 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.219 0.533 . . . . 0.0 111.038 -178.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 11.7 m -91.78 156.94 17.18 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.287 179.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 55.8 m-80 . . . . . 0 C--O 1.244 0.779 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.558 179.024 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 66.1 t80 . . . . . 0 N--CA 1.481 1.116 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 2' ' ' VAL . . . . . 0.481 ' HB ' HD11 ' G' ' 10' ' ' ILE . 11.1 m -116.17 170.69 5.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 C-N-CA 120.316 -0.554 . . . . 0.0 110.959 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 3' ' ' ASN . . . . . 0.558 ' H ' ' CD1' ' G' ' 10' ' ' ILE . 2.9 t-20 -106.3 -171.48 1.9 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.666 -178.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 4' ' ' GLN . . . . . 0.569 ' OE1' ' HA ' ' D' ' 28' ' ' PRO . 5.2 tt0 -51.93 -34.37 41.52 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.279 179.401 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 5' ' ' HIS . . . . . 0.558 ' HB3' HG12 ' G' ' 10' ' ' ILE . 25.0 t60 -55.07 -18.62 5.63 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.799 -178.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 6' ' ' LEU . . . . . 0.602 HD21 ' C4 ' ' G' ' 22' ' ' IPH . 36.3 mt -124.28 -14.61 6.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.021 0.438 . . . . 0.0 111.081 178.596 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 7' ' ' CYS . . . . . 0.415 ' HB3' ' HA ' ' D' ' 4' ' ' GLN . 22.6 t -86.33 -40.33 15.57 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.256 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 8' ' ' GLY . . . . . 0.499 ' O ' HG22 ' D' ' 12' ' ' VAL . . . -60.66 -30.47 72.39 Favored Glycine 0 N--CA 1.451 -0.318 0 CA-C-N 116.014 -0.539 . . . . 0.0 113.728 -179.183 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 9' ' ' SER . . . . . 0.995 ' HB2' ' HG2' ' B' ' 13' ' ' GLU . 28.7 p -61.12 -24.38 66.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.91 0.386 . . . . 0.0 111.553 -179.155 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 10' ' ' HIS . . . . . 0.401 ' HA ' ' HG3' ' D' ' 13' ' ' GLU . 97.3 m-70 -98.94 -16.82 18.63 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.0 -179.238 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 11' ' ' LEU . . . . . 0.672 HD11 ' HB2' ' C' ' 7' ' ' CYS . 71.5 mt -74.23 -39.08 63.32 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 177.715 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . 0.499 HG22 ' O ' ' D' ' 8' ' ' GLY . 3.0 m -69.3 -28.68 39.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.443 179.116 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 13' ' ' GLU . . . . . 0.975 ' HG2' ' HB2' ' B' ' 9' ' ' SER . 40.8 mt-10 -57.78 -46.98 83.83 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-O 121.186 0.517 . . . . 0.0 109.85 179.444 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.35 -30.22 60.17 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.778 179.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 15' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' D' ' 12' ' ' VAL . 13.6 mt -55.5 -59.13 5.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.753 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 16' ' ' TYR . . . . . 0.963 ' HB3' ' HE2' ' D' ' 24' ' ' PHE . 8.4 p90 -76.75 -17.13 59.25 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.033 -0.667 . . . . 0.0 110.999 -179.253 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . 0.549 HD11 ' H5 ' ' I' ' 22' ' ' IPH . 8.8 tp -66.76 -42.7 85.74 Favored 'General case' 0 C--O 1.232 0.181 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 178.569 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 77.6 t -79.7 -43.06 23.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 114.901 -1.045 . . . . 0.0 109.281 178.163 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -86.14 50.76 2.05 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.165 179.623 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.82 127.89 41.86 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 115.499 -0.773 . . . . 0.0 113.347 -178.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 21' ' ' GLU . . . . . 0.523 ' HA ' ' O ' ' B' ' 28' ' ' PRO . 49.7 mt-10 61.91 29.69 17.9 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 179.142 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 22' ' ' ARG . . . . . . . . . . . . . 17.3 mtt180 -118.03 -102.54 0.42 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.093 0.473 . . . . 0.0 110.079 177.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 23' ' ' GLY . . . . . 0.498 ' HA2' ' HD3' ' B' ' 28' ' ' PRO . . . 156.09 146.98 4.6 Favored Glycine 0 N--CA 1.444 -0.79 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.508 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 24' ' ' PHE . . . . . 0.963 ' HE2' ' HB3' ' D' ' 16' ' ' TYR . 30.1 p90 -146.68 178.56 8.21 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.858 0.361 . . . . 0.0 110.149 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 25' ' ' PHE . . . . . . . . . . . . . 5.9 p90 -128.46 151.49 49.34 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.529 178.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 26' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -140.98 124.51 16.77 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.049 0.452 . . . . 0.0 110.952 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 27' ' ' THR . . . . . . . . . . . . . 15.0 p -120.03 112.3 34.95 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.718 179.143 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 28' ' ' PRO . . . . . 0.569 ' HA ' ' OE1' ' D' ' 4' ' ' GLN . 8.1 Cg_exo -71.83 69.9 2.89 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 123.384 2.722 . . . . 0.0 111.597 -179.716 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -120.91 173.71 7.07 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.048 -179.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 13.5 t . . . . . 0 C--O 1.248 1.01 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 179.586 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.605 0 N-CA-C 111.692 -0.563 . . . . 0.0 111.692 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' E' E ' 2' ' ' ILE . . . . . . . . . . . . . 7.0 tt -162.29 -43.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 120.787 0.327 . . . . 0.0 110.878 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 3' ' ' VAL . . . . . 0.578 HG11 ' CD ' ' F' ' 4' ' ' GLN . 43.4 t -71.52 -75.65 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.461 -179.168 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 4' ' ' GLU . . . . . . . . . . . . . 73.4 tt0 -57.3 -31.31 65.51 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 121.119 0.485 . . . . 0.0 110.655 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -58.71 -39.88 82.08 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.086 179.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 6' ' ' CYS . . . . . . . . . . . . . 71.2 m -101.51 -26.71 13.46 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -178.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 7' ' ' CYS . . . . . 0.657 ' HB2' HD11 ' F' ' 11' ' ' LEU . 42.2 t -85.51 40.14 0.82 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.238 0.542 . . . . 0.0 111.041 -179.575 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 9.7 t -126.52 -43.02 1.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 178.144 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 9' ' ' SER . . . . . 0.427 ' O ' ' HB ' ' E' ' 10' ' ' ILE . 73.3 m -158.93 20.45 0.2 Allowed 'General case' 0 CA--C 1.531 0.233 0 CA-C-O 120.578 0.227 . . . . 0.0 110.704 179.183 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 10' ' ' ILE . . . . . 0.557 ' CD1' ' H ' ' J' ' 3' ' ' ASN . 1.9 mp 72.03 136.36 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 C-N-CA 123.14 0.576 . . . . 0.0 111.408 -179.481 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 11' ' ' CYS . . . . . . . . . . . . . 98.4 m -90.88 176.71 6.52 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.116 0.484 . . . . 0.0 111.147 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 12' ' ' SER . . . . . . . . . . . . . 5.7 m -80.96 161.69 24.2 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.91 178.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.14 -56.02 25.59 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.28 -179.191 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -67.03 -17.64 65.0 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.986 0.422 . . . . 0.0 111.228 -179.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -71.43 -31.47 67.25 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.965 179.109 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 16' ' ' LEU . . . . . . . . . . . . . 96.0 mt -75.12 -30.32 60.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.477 178.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 17' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -63.69 -16.01 59.92 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.923 -0.58 . . . . 0.0 112.066 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 18' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -72.14 -14.03 61.72 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.973 0.416 . . . . 0.0 110.71 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 19' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -104.91 16.14 26.49 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.217 0.532 . . . . 0.0 110.903 -178.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 20' ' ' CYS . . . . . . . . . . . . . 11.0 m -91.97 155.94 17.79 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.494 -0.775 . . . . 0.0 111.033 179.476 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 21' ' ' ASN . . . . . . . . . . . . . 56.6 m-80 . . . . . 0 C--O 1.247 0.959 0 CA-C-N 115.723 -0.672 . . . . 0.0 109.39 178.667 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' F' F ' 1' ' ' PHE . . . . . . . . . . . . . 66.6 t80 . . . . . 0 N--CA 1.482 1.175 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' F' F ' 2' ' ' VAL . . . . . 0.49 ' HB ' HD11 ' A' ' 10' ' ' ILE . 11.3 m -115.19 171.62 4.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 C-N-CA 120.462 -0.495 . . . . 0.0 111.053 179.646 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' F' F ' 3' ' ' ASN . . . . . 0.581 ' H ' ' CD1' ' A' ' 10' ' ' ILE . 3.5 t-20 -107.1 -171.5 1.9 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.552 -178.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' F' F ' 4' ' ' GLN . . . . . 0.578 ' CD ' HG11 ' E' ' 3' ' ' VAL . 5.3 tt0 -52.06 -34.14 42.25 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 123.032 0.533 . . . . 0.0 111.153 179.28 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' F' F ' 5' ' ' HIS . . . . . 0.559 ' HB3' HG12 ' A' ' 10' ' ' ILE . 22.9 t60 -55.25 -18.34 5.99 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.747 -0.661 . . . . 0.0 112.646 -178.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' F' F ' 6' ' ' LEU . . . . . 0.609 HD21 ' C4 ' ' A' ' 22' ' ' IPH . 37.7 mt -124.98 -13.88 6.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.938 0.399 . . . . 0.0 111.037 178.568 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' F' F ' 7' ' ' CYS . . . . . 0.432 ' HB3' ' HA ' ' F' ' 4' ' ' GLN . 17.3 t -87.06 -40.06 15.03 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.003 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' F' F ' 8' ' ' GLY . . . . . 0.504 ' O ' HG22 ' F' ' 12' ' ' VAL . . . -60.71 -30.34 72.26 Favored Glycine 0 C--N 1.331 0.254 0 CA-C-N 115.937 -0.574 . . . . 0.0 113.762 -179.136 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' F' F ' 9' ' ' SER . . . . . 0.978 ' HB2' ' HG2' ' H' ' 13' ' ' GLU . 25.9 p -61.45 -24.18 66.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.952 0.406 . . . . 0.0 111.427 -178.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' F' F ' 10' ' ' HIS . . . . . 0.41 ' HA ' ' HG3' ' F' ' 13' ' ' GLU . 96.5 m-70 -99.07 -17.18 18.37 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.009 -179.09 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' F' F ' 11' ' ' LEU . . . . . 0.657 HD11 ' HB2' ' E' ' 7' ' ' CYS . 70.5 mt -73.68 -39.25 64.53 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 177.547 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' F' F ' 12' ' ' VAL . . . . . 0.504 HG22 ' O ' ' F' ' 8' ' ' GLY . 2.9 m -69.1 -28.89 40.95 Favored 'Isoleucine or valine' 0 C--O 1.232 0.137 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.302 179.236 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' F' F ' 13' ' ' GLU . . . . . 0.977 ' HG2' ' HB2' ' H' ' 9' ' ' SER . 40.5 mt-10 -57.61 -47.23 82.77 Favored 'General case' 0 CA--C 1.521 -0.151 0 CA-C-O 121.187 0.517 . . . . 0.0 109.883 179.375 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' F' F ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.13 -29.98 60.69 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.882 179.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 15' ' ' LEU . . . . . 0.484 HD12 ' HA ' ' F' ' 12' ' ' VAL . 13.7 mt -55.74 -59.17 5.24 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.867 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' F' F ' 16' ' ' TYR . . . . . 0.946 ' HB3' ' HE2' ' F' ' 24' ' ' PHE . 8.4 p90 -76.72 -17.03 59.33 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 119.91 -0.716 . . . . 0.0 111.02 -179.4 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' F' F ' 17' ' ' LEU . . . . . 0.551 HD11 ' H5 ' ' K' ' 22' ' ' IPH . 9.1 tp -66.96 -42.36 85.3 Favored 'General case' 0 C--O 1.23 0.062 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 178.722 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 79.8 t -79.83 -42.68 22.53 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 CA-C-N 114.925 -1.034 . . . . 0.0 109.346 178.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -87.13 51.87 2.36 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.977 179.689 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' F' F ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.89 129.77 41.78 Favored Glycine 0 N--CA 1.446 -0.666 0 CA-C-N 115.4 -0.818 . . . . 0.0 113.443 -178.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 21' ' ' GLU . . . . . 0.507 ' HA ' ' O ' ' H' ' 28' ' ' PRO . 52.8 mt-10 60.67 29.48 19.04 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 179.238 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' F' F ' 22' ' ' ARG . . . . . . . . . . . . . 18.5 mtt180 -118.38 -104.09 0.41 Allowed 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 178.012 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 23' ' ' GLY . . . . . 0.509 ' HA2' ' HD3' ' H' ' 28' ' ' PRO . . . 157.48 147.86 4.93 Favored Glycine 0 N--CA 1.446 -0.664 0 N-CA-C 111.558 -0.617 . . . . 0.0 111.558 179.695 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' F' F ' 24' ' ' PHE . . . . . 0.946 ' HE2' ' HB3' ' F' ' 16' ' ' TYR . 29.8 p90 -147.32 178.41 8.43 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.771 0.32 . . . . 0.0 110.199 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' F' F ' 25' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -128.05 152.01 48.47 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 178.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 26' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -141.49 125.01 16.69 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.976 0.417 . . . . 0.0 110.673 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 27' ' ' THR . . . . . 0.434 ' HA ' ' HD3' ' F' ' 28' ' ' PRO . 10.3 p -120.34 111.36 35.14 Favored Pre-proline 0 C--N 1.318 -0.761 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.908 179.373 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' F' F ' 28' ' ' PRO . . . . . 0.553 ' HA ' ' OE1' ' F' ' 4' ' ' GLN . 9.0 Cg_exo -71.45 70.23 2.58 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 123.346 2.697 . . . . 0.0 111.64 -179.753 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' F' F ' 29' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -121.7 171.99 8.46 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.246 -179.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 30' ' ' THR . . . . . . . . . . . . . 13.2 t . . . . . 0 C--O 1.245 0.861 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 179.413 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' G' G ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.754 0 N-CA-C 111.654 -0.578 . . . . 0.0 111.654 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' G' G ' 2' ' ' ILE . . . . . . . . . . . . . 7.0 tt -164.79 -43.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.011 0.434 . . . . 0.0 111.035 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 3' ' ' VAL . . . . . 0.572 HG11 ' CD ' ' H' ' 4' ' ' GLN . 45.1 t -72.08 -73.67 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 122.225 -0.297 . . . . 0.0 111.612 -179.495 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' G' G ' 4' ' ' GLU . . . . . . . . . . . . . 75.9 tt0 -59.34 -31.7 69.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.083 0.468 . . . . 0.0 110.413 -179.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 5' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -57.97 -39.28 77.78 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.235 179.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 6' ' ' CYS . . . . . . . . . . . . . 71.1 m -102.43 -26.23 13.34 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -178.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 7' ' ' CYS . . . . . 0.68 ' HB2' HD11 ' H' ' 11' ' ' LEU . 41.9 t -86.07 40.85 0.89 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.249 0.547 . . . . 0.0 110.846 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' G' G ' 8' ' ' THR . . . . . . . . . . . . . 8.4 t -126.84 -43.57 1.69 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 178.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 9' ' ' SER . . . . . 0.436 ' O ' ' HB ' ' G' ' 10' ' ' ILE . 69.6 m -158.56 19.96 0.22 Allowed 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.707 -0.224 . . . . 0.0 110.699 179.19 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' G' G ' 10' ' ' ILE . . . . . 0.558 ' CD1' ' H ' ' D' ' 3' ' ' ASN . 1.9 mp 72.92 137.09 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 C-N-CA 123.181 0.593 . . . . 0.0 111.251 -179.407 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' G' G ' 11' ' ' CYS . . . . . . . . . . . . . 97.8 m -91.83 175.92 6.71 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.064 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 12' ' ' SER . . . . . . . . . . . . . 6.2 m -80.47 161.87 24.66 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.937 178.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 13' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.22 -56.03 25.36 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.798 0.332 . . . . 0.0 111.244 -178.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -67.13 -16.79 64.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.851 0.358 . . . . 0.0 111.259 -179.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 15' ' ' GLN . . . . . 0.421 HE21 ' HB2' ' G' ' 15' ' ' GLN . 6.6 tt0 -72.02 -32.42 67.14 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.8 179.27 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' G' G ' 16' ' ' LEU . . . . . . . . . . . . . 96.0 mt -74.26 -30.91 62.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.61 178.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 17' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -62.73 -17.47 60.86 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.965 -179.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 18' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -70.55 -13.88 62.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.858 179.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 19' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -105.35 15.58 27.04 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.21 0.528 . . . . 0.0 110.832 -178.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 20' ' ' CYS . . . . . . . . . . . . . 12.8 m -91.37 155.1 18.73 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.179 179.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 21' ' ' ASN . . . . . . . . . . . . . 61.9 m-80 . . . . . 0 C--O 1.249 1.063 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.907 179.187 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' H' H ' 1' ' ' PHE . . . . . . . . . . . . . 67.6 t80 . . . . . 0 N--CA 1.482 1.157 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' H' H ' 2' ' ' VAL . . . . . 0.47 ' HB ' HD11 ' K' ' 10' ' ' ILE . 10.1 m -116.44 170.42 6.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.957 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' H' H ' 3' ' ' ASN . . . . . 0.555 ' H ' ' CD1' ' K' ' 10' ' ' ILE . 3.1 t-20 -105.73 -169.78 1.64 Allowed 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.896 -178.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' H' H ' 4' ' ' GLN . . . . . 0.572 ' CD ' HG11 ' G' ' 3' ' ' VAL . 5.3 tt0 -53.54 -34.77 59.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.072 179.395 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' H' H ' 5' ' ' HIS . . . . . 0.563 ' HB3' HG12 ' K' ' 10' ' ' ILE . 23.7 t60 -54.33 -18.66 4.28 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.681 -0.69 . . . . 0.0 112.783 -179.083 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' H' H ' 6' ' ' LEU . . . . . 0.624 HD21 ' C4 ' ' K' ' 22' ' ' IPH . 35.8 mt -124.67 -14.36 6.8 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.986 0.422 . . . . 0.0 110.941 178.795 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' H' H ' 7' ' ' CYS . . . . . 0.413 ' HB3' ' HA ' ' H' ' 4' ' ' GLN . 18.5 t -86.76 -40.29 15.15 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.146 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' H' H ' 8' ' ' GLY . . . . . 0.482 ' O ' HG22 ' H' ' 12' ' ' VAL . . . -60.65 -30.36 72.09 Favored Glycine 0 C--N 1.33 0.249 0 CA-C-N 116.061 -0.518 . . . . 0.0 113.764 -179.068 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' H' H ' 9' ' ' SER . . . . . 0.977 ' HB2' ' HG2' ' F' ' 13' ' ' GLU . 32.5 p -61.23 -24.47 66.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.021 0.438 . . . . 0.0 111.697 -179.091 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' H' H ' 10' ' ' HIS . . . . . 0.421 ' HA ' ' HG3' ' H' ' 13' ' ' GLU . 97.2 m-70 -98.79 -17.04 18.68 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.934 -179.248 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' H' H ' 11' ' ' LEU . . . . . 0.68 HD11 ' HB2' ' G' ' 7' ' ' CYS . 71.5 mt -73.67 -39.64 64.29 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 177.607 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' H' H ' 12' ' ' VAL . . . . . 0.482 HG22 ' O ' ' H' ' 8' ' ' GLY . 3.0 m -68.96 -28.57 40.07 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.305 179.255 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' H' H ' 13' ' ' GLU . . . . . 0.978 ' HG2' ' HB2' ' F' ' 9' ' ' SER . 39.1 mt-10 -57.73 -47.47 82.33 Favored 'General case' 0 CA--C 1.522 -0.118 0 CA-C-O 121.181 0.515 . . . . 0.0 109.743 179.527 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' H' H ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.13 -29.87 60.65 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.944 179.339 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' H' H ' 15' ' ' LEU . . . . . 0.48 HD12 ' HA ' ' H' ' 12' ' ' VAL . 13.6 mt -55.74 -59.01 5.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.8 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' H' H ' 16' ' ' TYR . . . . . 0.946 ' HB3' ' HE2' ' H' ' 24' ' ' PHE . 8.6 p90 -76.68 -17.57 59.05 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 119.832 -0.747 . . . . 0.0 110.95 -179.263 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' H' H ' 17' ' ' LEU . . . . . 0.548 HD11 ' H5 ' ' A' ' 22' ' ' IPH . 8.9 tp -66.14 -43.12 87.98 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 178.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 74.8 t -78.73 -45.0 25.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 114.876 -1.056 . . . . 0.0 109.097 178.115 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' H' H ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -84.76 51.47 2.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.068 -0.969 . . . . 0.0 110.31 179.589 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' H' H ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.1 127.98 38.98 Favored Glycine 0 N--CA 1.448 -0.515 0 CA-C-N 115.443 -0.799 . . . . 0.0 113.477 -178.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' H' H ' 21' ' ' GLU . . . . . 0.533 ' HA ' ' O ' ' F' ' 28' ' ' PRO . 53.1 mt-10 62.06 30.49 17.89 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 179.254 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' H' H ' 22' ' ' ARG . . . . . . . . . . . . . 17.6 mtt180 -119.15 -103.85 0.41 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 177.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' H' H ' 23' ' ' GLY . . . . . 0.48 ' HA2' ' HD3' ' F' ' 28' ' ' PRO . . . 156.94 147.36 4.75 Favored Glycine 0 N--CA 1.442 -0.917 0 N-CA-C 111.523 -0.631 . . . . 0.0 111.523 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' H' H ' 24' ' ' PHE . . . . . 0.946 ' HE2' ' HB3' ' H' ' 16' ' ' TYR . 30.5 p90 -146.67 179.38 7.6 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.791 0.329 . . . . 0.0 110.177 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' H' H ' 25' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -129.21 151.5 49.81 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.532 178.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' H' H ' 26' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -141.12 124.32 16.47 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.055 0.455 . . . . 0.0 110.989 -179.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' H' H ' 27' ' ' THR . . . . . . . . . . . . . 10.8 p -119.38 111.91 36.21 Favored Pre-proline 0 C--N 1.319 -0.731 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.806 179.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' H' H ' 28' ' ' PRO . . . . . 0.544 ' HA ' ' OE1' ' H' ' 4' ' ' GLN . 9.9 Cg_exo -71.87 70.65 2.83 Favored 'Trans proline' 0 N--CA 1.464 -0.248 0 C-N-CA 123.151 2.567 . . . . 0.0 111.341 -179.756 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' H' H ' 29' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -121.75 172.4 8.17 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.231 -179.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' H' H ' 30' ' ' THR . . . . . . . . . . . . . 14.7 t . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.787 -0.625 . . . . 0.0 109.549 179.882 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' I' I ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.008 0 N-CA-C 112.326 -0.31 . . . . 0.0 112.326 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' I' I ' 2' ' ' ILE . . . . . . . . . . . . . 7.0 tt -163.28 -43.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.36 0.124 . . . . 0.0 110.913 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 3' ' ' VAL . . . . . 0.579 HG11 ' CD ' ' J' ' 4' ' ' GLN . 44.8 t -70.81 -75.66 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.642 0.258 . . . . 0.0 111.442 -179.298 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' I' I ' 4' ' ' GLU . . . . . . . . . . . . . 74.4 tt0 -56.85 -34.43 67.78 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.941 0.4 . . . . 0.0 110.485 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 5' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -55.87 -38.99 70.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.439 179.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 6' ' ' CYS . . . . . . . . . . . . . 71.6 m -102.33 -27.89 12.57 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -179.083 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 7' ' ' CYS . . . . . 0.686 ' HB2' HD11 ' J' ' 11' ' ' LEU . 42.3 t -84.69 41.06 0.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.489 0.661 . . . . 0.0 110.925 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' I' I ' 8' ' ' THR . . . . . . . . . . . . . 7.7 t -127.18 -42.5 1.7 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 178.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 9' ' ' SER . . . . . 0.441 ' O ' ' HB ' ' I' ' 10' ' ' ILE . 72.5 m -160.01 20.47 0.16 Allowed 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 120.618 0.247 . . . . 0.0 110.566 179.111 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' I' I ' 10' ' ' ILE . . . . . 0.567 HG12 ' HB3' ' B' ' 5' ' ' HIS . 1.9 mp 72.44 138.37 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 C-N-CA 123.335 0.654 . . . . 0.0 111.471 -179.593 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' I' I ' 11' ' ' CYS . . . . . . . . . . . . . 99.1 m -93.18 175.53 6.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.992 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 12' ' ' SER . . . . . . . . . . . . . 10.4 m -79.48 162.05 25.68 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.908 179.013 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 13' ' ' LEU . . . . . 0.44 HD22 ' HA ' ' I' ' 13' ' ' LEU . 1.0 OUTLIER -61.22 -56.47 20.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.136 -179.344 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -66.52 -17.24 64.7 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.846 0.355 . . . . 0.0 111.411 -179.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -71.95 -31.86 66.73 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.765 -0.458 . . . . 0.0 109.765 179.33 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 16' ' ' LEU . . . . . . . . . . . . . 96.0 mt -74.81 -30.56 61.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.602 178.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 17' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -63.61 -15.23 57.62 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.881 -0.6 . . . . 0.0 112.058 -179.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 18' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -72.78 -14.19 61.48 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.956 0.407 . . . . 0.0 110.685 179.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 19' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -104.76 16.28 26.3 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.356 0.598 . . . . 0.0 110.799 -178.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 20' ' ' CYS . . . . . . . . . . . . . 11.3 m -92.07 155.31 18.16 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.254 179.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 21' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 . . . . . 0 C--O 1.246 0.892 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.568 178.918 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' J' J ' 1' ' ' PHE . . . . . . . . . . . . . 66.2 t80 . . . . . 0 N--CA 1.484 1.262 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' J' J ' 2' ' ' VAL . . . . . 0.515 ' HB ' HD11 ' E' ' 10' ' ' ILE . 10.7 m -115.77 170.1 5.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 C-N-CA 120.476 -0.489 . . . . 0.0 110.998 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' J' J ' 3' ' ' ASN . . . . . 0.557 ' H ' ' CD1' ' E' ' 10' ' ' ILE . 3.1 t-20 -105.75 -171.0 1.82 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.57 -178.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' J' J ' 4' ' ' GLN . . . . . 0.579 ' CD ' HG11 ' I' ' 3' ' ' VAL . 5.2 tt0 -52.2 -34.87 47.34 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 122.952 0.501 . . . . 0.0 111.2 179.368 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' J' J ' 5' ' ' HIS . . . . . 0.549 ' HB3' HG12 ' E' ' 10' ' ' ILE . 25.3 t60 -54.65 -18.28 4.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.74 -0.664 . . . . 0.0 112.554 -178.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' J' J ' 6' ' ' LEU . . . . . 0.615 HD21 ' C4 ' ' E' ' 22' ' ' IPH . 33.7 mt -124.84 -14.52 6.68 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.964 0.411 . . . . 0.0 110.995 178.659 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' J' J ' 7' ' ' CYS . . . . . 0.414 ' HB3' ' HA ' ' J' ' 4' ' ' GLN . 23.3 t -86.5 -40.8 14.93 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.945 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' J' J ' 8' ' ' GLY . . . . . 0.502 ' O ' HG22 ' J' ' 12' ' ' VAL . . . -60.2 -30.3 70.46 Favored Glycine 0 N--CA 1.451 -0.329 0 CA-C-N 116.112 -0.495 . . . . 0.0 113.896 -179.082 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' J' J ' 9' ' ' SER . . . . . 0.981 ' HB2' ' HG2' ' L' ' 13' ' ' GLU . 25.9 p -61.59 -24.18 66.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.865 0.364 . . . . 0.0 111.499 -179.211 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' J' J ' 10' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -98.91 -17.08 18.55 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.055 0.455 . . . . 0.0 111.008 -179.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' J' J ' 11' ' ' LEU . . . . . 0.686 HD11 ' HB2' ' I' ' 7' ' ' CYS . 73.5 mt -73.87 -39.11 64.18 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.656 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' J' J ' 12' ' ' VAL . . . . . 0.502 HG22 ' O ' ' J' ' 8' ' ' GLY . 3.0 m -69.43 -28.41 38.07 Favored 'Isoleucine or valine' 0 C--O 1.232 0.158 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.386 179.15 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' J' J ' 13' ' ' GLU . . . . . 0.967 ' HG2' ' HB2' ' L' ' 9' ' ' SER . 40.8 mt-10 -57.99 -47.11 83.96 Favored 'General case' 0 CA--C 1.522 -0.134 0 CA-C-O 121.164 0.507 . . . . 0.0 109.853 179.351 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' J' J ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.4 -29.87 59.92 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.754 179.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' J' J ' 15' ' ' LEU . . . . . 0.468 HD12 ' HA ' ' J' ' 12' ' ' VAL . 13.7 mt -55.69 -59.14 5.27 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.76 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' J' J ' 16' ' ' TYR . . . . . 0.971 ' HB3' ' HE2' ' J' ' 24' ' ' PHE . 8.6 p90 -76.64 -17.66 59.03 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 119.932 -0.707 . . . . 0.0 110.955 -179.274 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' J' J ' 17' ' ' LEU . . . . . 0.538 HD11 ' H5 ' ' C' ' 22' ' ' IPH . 8.8 tp -66.54 -41.6 88.46 Favored 'General case' 0 C--O 1.232 0.179 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 178.743 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 82.1 t -80.75 -42.72 20.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 114.935 -1.03 . . . . 0.0 109.136 178.16 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' J' J ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -86.49 50.75 2.06 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.122 179.642 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' J' J ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.48 129.55 45.26 Favored Glycine 0 N--CA 1.448 -0.516 0 CA-C-N 115.575 -0.739 . . . . 0.0 113.259 -179.05 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' J' J ' 21' ' ' GLU . . . . . 0.522 ' HA ' ' O ' ' L' ' 28' ' ' PRO . 53.1 mt-10 59.63 30.34 19.96 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 179.29 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' J' J ' 22' ' ' ARG . . . . . . . . . . . . . 16.0 mtt180 -118.4 -104.09 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 177.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' J' J ' 23' ' ' GLY . . . . . 0.484 ' HA2' ' HD3' ' L' ' 28' ' ' PRO . . . 157.2 147.24 4.72 Favored Glycine 0 N--CA 1.444 -0.786 0 N-CA-C 111.539 -0.625 . . . . 0.0 111.539 179.561 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' J' J ' 24' ' ' PHE . . . . . 0.971 ' HE2' ' HB3' ' J' ' 16' ' ' TYR . 31.2 p90 -145.69 -179.51 6.73 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' J' J ' 25' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -130.41 150.86 51.45 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 178.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' J' J ' 26' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -140.54 125.24 18.07 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.124 0.487 . . . . 0.0 110.877 -179.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' J' J ' 27' ' ' THR . . . . . . . . . . . . . 12.8 p -120.45 111.86 34.63 Favored Pre-proline 0 C--N 1.32 -0.686 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.038 179.199 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' J' J ' 28' ' ' PRO . . . . . 0.574 ' HA ' ' OE1' ' J' ' 4' ' ' GLN . 8.9 Cg_exo -71.55 70.34 2.64 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 123.307 2.671 . . . . 0.0 111.438 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' J' J ' 29' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -121.54 172.92 7.73 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.039 -179.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' J' J ' 30' ' ' THR . . . . . . . . . . . . . 14.5 t . . . . . 0 C--O 1.25 1.128 0 CA-C-O 118.874 -0.584 . . . . 0.0 109.68 179.818 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.738 0 N-CA-C 112.184 -0.366 . . . . 0.0 112.184 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' K' K ' 2' ' ' ILE . . . . . . . . . . . . . 6.6 tt -164.2 -42.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-O 121.109 0.481 . . . . 0.0 110.968 179.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' K' K ' 3' ' ' VAL . . . . . 0.598 HG11 ' CD ' ' L' ' 4' ' ' GLN . 46.4 t -72.32 -73.93 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.565 -179.271 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' K' K ' 4' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -58.46 -33.81 70.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.02 0.438 . . . . 0.0 110.593 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' K' K ' 5' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -56.39 -38.45 71.49 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.533 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' K' K ' 6' ' ' CYS . . . . . . . . . . . . . 72.7 m -102.84 -27.48 12.64 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.135 0.421 . . . . 0.0 112.135 -179.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' K' K ' 7' ' ' CYS . . . . . 0.675 ' HB2' HD11 ' L' ' 11' ' ' LEU . 42.7 t -85.43 41.72 0.91 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.374 0.607 . . . . 0.0 110.849 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' K' K ' 8' ' ' THR . . . . . . . . . . . . . 7.8 t -127.69 -43.92 1.53 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 178.054 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' K' K ' 9' ' ' SER . . . . . 0.445 ' O ' ' HB ' ' K' ' 10' ' ' ILE . 64.5 m -158.49 20.08 0.22 Allowed 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.761 -0.2 . . . . 0.0 110.749 179.09 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' K' K ' 10' ' ' ILE . . . . . 0.563 HG12 ' HB3' ' H' ' 5' ' ' HIS . 1.9 mp 72.99 136.87 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 C-N-CA 123.287 0.635 . . . . 0.0 111.243 -179.53 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' K' K ' 11' ' ' CYS . . . . . . . . . . . . . 98.6 m -91.46 175.75 6.81 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.185 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' K' K ' 12' ' ' SER . . . . . . . . . . . . . 11.3 m -79.95 163.09 24.55 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.926 178.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' K' K ' 13' ' ' LEU . . . . . 0.44 HD22 ' HA ' ' K' ' 13' ' ' LEU . 1.0 OUTLIER -62.02 -55.78 25.69 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.719 0.295 . . . . 0.0 111.42 -179.129 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -66.9 -19.1 65.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.928 0.394 . . . . 0.0 111.073 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' K' K ' 15' ' ' GLN . . . . . 0.425 HE21 ' HB2' ' K' ' 15' ' ' GLN . 6.4 tt0 -69.49 -32.59 71.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.057 179.118 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' K' K ' 16' ' ' LEU . . . . . . . . . . . . . 96.1 mt -74.41 -30.68 62.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.6 178.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' K' K ' 17' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -63.09 -16.76 61.03 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.924 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' K' K ' 18' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -72.05 -11.6 60.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.831 0.348 . . . . 0.0 110.827 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' K' K ' 19' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -107.16 15.81 24.76 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.226 0.536 . . . . 0.0 110.694 -179.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' K' K ' 20' ' ' CYS . . . . . . . . . . . . . 11.4 m -92.28 155.34 18.02 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.459 -0.792 . . . . 0.0 111.174 179.53 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' K' K ' 21' ' ' ASN . . . . . . . . . . . . . 55.4 m-80 . . . . . 0 C--O 1.248 0.979 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.914 179.191 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' L' L ' 1' ' ' PHE . . . . . . . . . . . . . 66.5 t80 . . . . . 0 N--CA 1.483 1.179 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' L' L ' 2' ' ' VAL . . . . . 0.499 ' HB ' HD11 ' C' ' 10' ' ' ILE . 10.2 m -115.08 171.56 4.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.912 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' L' L ' 3' ' ' ASN . . . . . 0.566 ' H ' ' CD1' ' C' ' 10' ' ' ILE . 3.8 t-20 -106.65 -170.16 1.67 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.433 -179.145 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' L' L ' 4' ' ' GLN . . . . . 0.598 ' CD ' HG11 ' K' ' 3' ' ' VAL . 5.5 tt0 -52.94 -34.75 56.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.169 179.307 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' L' L ' 5' ' ' HIS . . . . . 0.576 ' HB3' HG12 ' C' ' 10' ' ' ILE . 23.3 t60 -54.43 -18.87 4.67 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.54 -0.754 . . . . 0.0 112.689 -178.782 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' L' L ' 6' ' ' LEU . . . . . 0.62 HD21 ' C4 ' ' C' ' 22' ' ' IPH . 36.0 mt -124.59 -14.53 6.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.836 0.351 . . . . 0.0 111.077 178.658 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' L' L ' 7' ' ' CYS . . . . . 0.421 ' HB3' ' HA ' ' L' ' 4' ' ' GLN . 19.4 t -86.34 -40.53 15.36 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.907 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' L' L ' 8' ' ' GLY . . . . . 0.5 ' O ' HG22 ' L' ' 12' ' ' VAL . . . -60.72 -30.05 71.58 Favored Glycine 0 N--CA 1.452 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 113.862 -179.006 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' L' L ' 9' ' ' SER . . . . . 0.967 ' HB2' ' HG2' ' J' ' 13' ' ' GLU . 25.1 p -61.65 -24.31 66.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.924 0.392 . . . . 0.0 111.521 -179.223 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' L' L ' 10' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -98.94 -16.82 18.63 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.95 -179.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' L' L ' 11' ' ' LEU . . . . . 0.675 HD11 ' HB2' ' K' ' 7' ' ' CYS . 71.3 mt -74.14 -38.92 63.61 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.301 -0.999 . . . . 0.0 108.301 177.652 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' L' L ' 12' ' ' VAL . . . . . 0.5 HG22 ' O ' ' L' ' 8' ' ' GLY . 2.9 m -69.63 -28.3 37.01 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.383 179.235 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' L' L ' 13' ' ' GLU . . . . . 0.981 ' HG2' ' HB2' ' J' ' 9' ' ' SER . 40.8 mt-10 -58.07 -47.17 83.98 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-O 121.158 0.504 . . . . 0.0 109.716 179.191 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' L' L ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.91 -30.68 61.34 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.648 179.248 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' L' L ' 15' ' ' LEU . . . . . 0.468 HD12 ' HA ' ' L' ' 12' ' ' VAL . 14.0 mt -54.98 -59.28 4.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.925 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' L' L ' 16' ' ' TYR . . . . . 0.978 ' HB3' ' HE2' ' L' ' 24' ' ' PHE . 8.7 p90 -76.88 -17.37 59.0 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 119.862 -0.735 . . . . 0.0 110.916 -179.087 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' L' L ' 17' ' ' LEU . . . . . 0.543 HD11 ' H5 ' ' E' ' 22' ' ' IPH . 9.1 tp -65.95 -44.41 85.1 Favored 'General case' 0 C--O 1.232 0.149 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 178.567 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 78.4 t -77.98 -42.28 27.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 114.794 -1.094 . . . . 0.0 109.593 178.187 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' L' L ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -87.24 50.78 2.07 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.145 179.73 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' L' L ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.61 128.55 43.49 Favored Glycine 0 N--CA 1.447 -0.607 0 CA-C-N 115.446 -0.797 . . . . 0.0 113.418 -178.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' L' L ' 21' ' ' GLU . . . . . 0.523 ' HA ' ' O ' ' J' ' 28' ' ' PRO . 52.3 mt-10 61.35 28.82 18.21 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.84 0.682 . . . . 0.0 112.84 179.166 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' L' L ' 22' ' ' ARG . . . . . . . . . . . . . 17.9 mtt180 -117.37 -104.12 0.41 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 178.083 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' L' L ' 23' ' ' GLY . . . . . 0.456 ' HA2' ' HD3' ' J' ' 28' ' ' PRO . . . 157.49 147.14 4.7 Favored Glycine 0 N--CA 1.444 -0.802 0 N-CA-C 111.332 -0.707 . . . . 0.0 111.332 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' L' L ' 24' ' ' PHE . . . . . 0.978 ' HE2' ' HB3' ' L' ' 16' ' ' TYR . 30.5 p90 -146.55 178.75 8.05 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.858 0.361 . . . . 0.0 110.322 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' L' L ' 25' ' ' PHE . . . . . . . . . . . . . 5.6 p90 -128.92 150.94 50.16 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.672 178.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' L' L ' 26' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -140.44 125.54 18.53 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.872 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' L' L ' 27' ' ' THR . . . . . 0.433 ' HA ' ' HD3' ' L' ' 28' ' ' PRO . 11.7 p -120.78 111.66 34.26 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.853 179.348 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' L' L ' 28' ' ' PRO . . . . . 0.551 ' HA ' ' OE1' ' L' ' 4' ' ' GLN . 9.2 Cg_exo -71.34 69.61 2.56 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 123.403 2.736 . . . . 0.0 111.619 -179.761 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' L' L ' 29' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -119.97 175.1 6.07 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.053 -179.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' L' L ' 30' ' ' THR . . . . . . . . . . . . . 13.0 t . . . . . 0 C--O 1.248 0.984 0 CA-C-O 118.816 -0.611 . . . . 0.0 109.789 179.763 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' IPH . . . . . 0.614 ' H3 ' HD23 ' B' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 22' ' ' IPH . . . . . 0.62 ' C4 ' HD21 ' L' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 22' ' ' IPH . . . . . 0.615 ' C4 ' HD21 ' J' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 22' ' ' IPH . . . . . 0.602 ' C4 ' HD21 ' D' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 22' ' ' IPH . . . . . 0.62 ' H3 ' HD23 ' J' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' K' K ' 22' ' ' IPH . . . . . 0.624 ' C4 ' HD21 ' H' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.599 0 N-CA-C 112.066 -0.414 . . . . 0.0 112.066 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.537 HD11 HD11 ' B' ' 15' ' ' LEU . 13.3 tt -139.49 -38.12 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 CA-C-N 116.946 0.373 . . . . 0.0 111.792 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.549 HG11 ' HA ' ' B' ' 28' ' ' PRO . 14.1 m -67.49 -50.81 58.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -179.059 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -75.53 -10.39 59.41 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.741 0.305 . . . . 0.0 111.505 179.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -90.46 -36.27 14.64 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.857 0.36 . . . . 0.0 110.866 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 81.1 m -104.27 -34.78 8.22 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 -178.069 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.497 ' HB2' HD11 ' B' ' 11' ' ' LEU . 8.2 t -86.1 35.88 0.66 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.32 0.581 . . . . 0.0 110.818 -179.648 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.514 ' C ' HG13 ' F' ' 2' ' ' VAL . 5.7 t -119.37 -62.73 1.47 Allowed 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 178.268 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.499 ' H ' HG23 ' A' ' 8' ' ' THR . 53.5 m -135.72 21.48 3.33 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 121.496 -0.753 . . . . 0.0 110.644 178.174 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.537 HD12 HG12 ' F' ' 2' ' ' VAL . 2.7 mp 76.0 136.51 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 C-N-CA 123.563 0.745 . . . . 0.0 110.358 -178.638 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 47.1 m -91.38 173.21 8.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.974 0.416 . . . . 0.0 111.051 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.592 ' HB3' ' HG3' ' A' ' 15' ' ' GLN . 43.2 t -86.38 152.19 22.92 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 177.676 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.3 tt -60.02 -32.98 71.4 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.132 0.491 . . . . 0.0 110.044 -179.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -73.15 -30.8 63.84 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.064 179.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.592 ' HG3' ' HB3' ' A' ' 12' ' ' SER . 87.6 mt-30 -70.41 -33.18 71.05 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.951 179.775 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 77.5 mt -67.47 -28.46 67.88 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.924 0.392 . . . . 0.0 110.705 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.668 ' HA ' ' SG ' ' A' ' 20' ' ' CYS . 67.4 tt0 -72.49 -13.07 61.34 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 121.094 0.473 . . . . 0.0 110.494 179.583 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.488 ' HB2' ' O ' ' A' ' 15' ' ' GLN . 3.9 m120 -69.86 -16.51 63.26 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.274 178.669 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -107.35 7.76 29.32 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.234 -179.035 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.668 ' SG ' ' HA ' ' A' ' 17' ' ' GLU . 87.4 m -76.32 83.02 3.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.887 0.375 . . . . 0.0 111.77 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.248 0.976 0 CA-C-O 118.297 -0.858 . . . . 0.0 111.125 178.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 18.9 t80 . . . . . 0 N--CA 1.482 1.125 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.639 ' HB ' ' CD1' ' B' ' 6' ' ' LEU . 13.9 m -65.51 102.29 0.42 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 CA-C-O 121.353 0.596 . . . . 0.0 110.776 179.737 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . 0.557 ' O ' ' HB3' ' B' ' 7' ' ' CYS . 45.3 t30 -164.72 -68.49 0.04 OUTLIER 'General case' 0 C--O 1.214 -0.797 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.313 -179.242 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -54.12 -46.67 72.23 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.027 0.442 . . . . 0.0 111.808 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 51.9 t60 -81.08 -2.26 47.5 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -178.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.639 ' CD1' ' HB ' ' B' ' 2' ' ' VAL . 24.2 mt -116.12 -27.57 6.86 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.309 0.576 . . . . 0.0 110.7 179.34 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . 0.557 ' HB3' ' O ' ' B' ' 3' ' ' ASN . 0.0 OUTLIER -92.16 -36.69 13.15 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.112 -178.543 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.49 -33.85 59.33 Favored Glycine 0 C--N 1.334 0.46 0 C-N-CA 121.225 -0.512 . . . . 0.0 113.178 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . 0.838 ' HB2' ' HG2' ' D' ' 13' ' ' GLU . 83.2 p -67.54 -11.82 58.91 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.955 0.407 . . . . 0.0 111.905 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . 0.704 ' HA ' ' HG3' ' B' ' 13' ' ' GLU . 99.0 m-70 -110.96 -15.65 13.71 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.809 -179.551 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.497 HD11 ' HB2' ' A' ' 7' ' ' CYS . 19.6 mt -72.02 -32.2 66.93 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 177.562 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.631 ' HA ' ' HB2' ' B' ' 15' ' ' LEU . 1.3 m -68.19 -27.95 39.02 Favored 'Isoleucine or valine' 0 C--O 1.232 0.136 0 CA-C-N 114.896 -1.047 . . . . 0.0 111.166 179.021 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.858 ' HG2' ' HB2' ' D' ' 9' ' ' SER . 18.3 mt-10 -61.52 -38.44 87.41 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 178.753 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -80.36 -30.14 37.95 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 114.88 -1.055 . . . . 0.0 110.414 178.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.631 ' HB2' ' HA ' ' B' ' 12' ' ' VAL . 11.2 mt -59.73 -61.79 2.36 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.926 179.736 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . 0.957 ' HB3' ' HE2' ' B' ' 24' ' ' PHE . 2.4 p90 -73.6 -4.32 33.37 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 119.848 -0.741 . . . . 0.0 110.691 -179.141 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.482 ' HB2' ' O ' ' B' ' 13' ' ' GLU . 9.1 tt -77.85 -45.83 23.17 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 177.524 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 91.4 t -73.58 -44.01 53.98 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.975 178.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 75.1 m -67.38 -27.27 66.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.511 179.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.14 -100.95 0.62 Allowed Glycine 0 C--N 1.332 0.308 0 CA-C-N 116.046 -0.525 . . . . 0.0 113.005 179.297 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.733 ' HB2' ' HD2' ' D' ' 29' ' ' LYS . 16.9 pt-20 -91.8 -14.62 29.52 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.054 0.454 . . . . 0.0 110.429 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 86.2 mtm180 -77.14 140.58 40.26 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.131 179.086 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . 0.613 ' HA2' ' HD3' ' D' ' 28' ' ' PRO . . . -85.32 -177.87 50.67 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.722 -0.752 . . . . 0.0 111.574 179.525 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . 0.957 ' HE2' ' HB3' ' B' ' 16' ' ' TYR . 14.9 p90 -154.9 167.46 30.21 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.203 0.525 . . . . 0.0 111.064 179.669 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -114.54 120.31 39.78 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 179.277 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -119.98 120.71 37.13 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.131 0.491 . . . . 0.0 111.603 -178.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 1.3 p -116.08 111.23 42.88 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.366 179.033 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . 0.586 ' HD3' ' HA2' ' D' ' 23' ' ' GLY . 15.5 Cg_exo -69.29 -10.81 29.93 Favored 'Trans proline' 0 N--CA 1.471 0.163 0 C-N-CA 123.222 2.614 . . . . 0.0 113.819 -178.06 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.694 ' HD2' ' HB2' ' D' ' 21' ' ' GLU . 79.4 tttt -102.45 -11.38 18.63 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.872 0.368 . . . . 0.0 110.991 -179.243 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . 0.502 ' O ' HG22 ' A' ' 3' ' ' VAL . 58.5 m . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.542 -0.742 . . . . 0.0 110.07 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.62 0 N-CA-C 112.022 -0.431 . . . . 0.0 112.022 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 2' ' ' ILE . . . . . 0.529 HD11 HD11 ' D' ' 15' ' ' LEU . 12.3 tt -140.34 -38.16 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.838 0.351 . . . . 0.0 111.523 -179.734 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 3' ' ' VAL . . . . . 0.572 HG11 ' HA ' ' D' ' 28' ' ' PRO . 13.8 m -67.33 -50.44 62.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 C-N-CA 120.506 -0.477 . . . . 0.0 112.07 -179.327 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 4' ' ' GLU . . . . . 0.408 ' OE1' HG23 ' C' ' 3' ' ' VAL . 3.2 mp0 -76.84 -9.15 58.48 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.708 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -91.05 -36.71 13.88 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.604 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 84.3 m -104.0 -35.31 8.15 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 113.099 0.778 . . . . 0.0 113.099 -178.229 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 7' ' ' CYS . . . . . 0.498 ' HB2' HD11 ' D' ' 11' ' ' LEU . 8.0 t -85.59 36.66 0.66 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.273 0.558 . . . . 0.0 110.813 -179.748 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 8' ' ' THR . . . . . 0.545 HG23 ' H ' ' C' ' 9' ' ' SER . 4.9 t -119.55 -63.74 1.35 Allowed 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 178.255 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 9' ' ' SER . . . . . 0.545 ' H ' HG23 ' C' ' 8' ' ' THR . 62.0 m -135.42 21.35 3.39 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 121.654 -0.653 . . . . 0.0 110.606 178.121 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . 0.547 HD12 HG12 ' L' ' 2' ' ' VAL . 2.7 mp 76.4 135.97 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 C-N-CA 123.557 0.743 . . . . 0.0 110.426 -179.024 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 53.4 m -90.83 173.07 8.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.191 0.52 . . . . 0.0 111.388 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . 0.579 ' HB3' ' HG3' ' C' ' 15' ' ' GLN . 40.4 t -86.43 151.11 23.8 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 177.676 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 9.5 tt -59.16 -33.53 71.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.107 0.479 . . . . 0.0 110.218 -179.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -72.21 -31.8 66.19 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.91 179.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . 0.579 ' HG3' ' HB3' ' C' ' 12' ' ' SER . 87.2 mt-30 -69.61 -33.33 72.52 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.097 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 75.2 mt -67.15 -28.81 68.44 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.84 0.352 . . . . 0.0 110.633 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 17' ' ' GLU . . . . . 0.684 ' HA ' ' SG ' ' C' ' 20' ' ' CYS . 68.1 tt0 -71.96 -13.5 61.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.551 179.501 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 18' ' ' ASN . . . . . 0.514 ' HB2' ' O ' ' C' ' 15' ' ' GLN . 3.8 m120 -69.15 -18.48 63.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.109 0.481 . . . . 0.0 110.298 178.754 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -105.82 8.02 32.59 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.27 -178.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 20' ' ' CYS . . . . . 0.684 ' SG ' ' HA ' ' C' ' 17' ' ' GLU . 85.9 m -76.53 82.24 3.22 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.795 -179.783 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 21' ' ' ASN . . . . . 0.429 HD22 ' HA ' ' C' ' 21' ' ' ASN . 0.4 OUTLIER . . . . . 0 C--O 1.25 1.087 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.35 178.605 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 16.2 t80 . . . . . 0 N--CA 1.479 0.995 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 2' ' ' VAL . . . . . 0.641 ' HB ' ' CD1' ' D' ' 6' ' ' LEU . 14.3 m -65.29 102.93 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 CA-C-O 121.379 0.609 . . . . 0.0 110.478 179.805 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 3' ' ' ASN . . . . . 0.545 ' O ' ' HB3' ' D' ' 7' ' ' CYS . 46.9 t30 -165.59 -69.59 0.03 OUTLIER 'General case' 0 C--O 1.215 -0.729 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.039 -179.171 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -53.43 -45.93 69.63 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.964 0.412 . . . . 0.0 112.043 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 5' ' ' HIS . . . . . . . . . . . . . 50.9 t60 -81.79 -2.7 51.75 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -178.146 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 6' ' ' LEU . . . . . 0.641 ' CD1' ' HB ' ' D' ' 2' ' ' VAL . 23.5 mt -115.42 -27.52 7.16 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.293 0.568 . . . . 0.0 110.809 179.476 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 7' ' ' CYS . . . . . 0.545 ' HB3' ' O ' ' D' ' 3' ' ' ASN . 0.0 OUTLIER -92.05 -36.85 13.14 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.135 -178.477 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' D' D ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.27 -34.21 58.89 Favored Glycine 0 C--N 1.336 0.561 0 C-N-CA 121.173 -0.537 . . . . 0.0 113.211 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 9' ' ' SER . . . . . 0.858 ' HB2' ' HG2' ' B' ' 13' ' ' GLU . 86.1 p -67.09 -12.39 59.82 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.886 0.374 . . . . 0.0 111.94 -179.689 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 10' ' ' HIS . . . . . 0.711 ' HA ' ' HG3' ' D' ' 13' ' ' GLU . 99.0 m-70 -110.51 -15.99 13.77 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 120.834 0.349 . . . . 0.0 110.877 -179.523 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 11' ' ' LEU . . . . . 0.498 HD11 ' HB2' ' C' ' 7' ' ' CYS . 20.7 mt -71.8 -32.17 67.33 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 177.567 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . 0.623 ' HA ' ' HB2' ' D' ' 15' ' ' LEU . 1.5 m -68.18 -28.2 39.99 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 CA-C-N 114.958 -1.019 . . . . 0.0 111.322 178.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 13' ' ' GLU . . . . . 0.838 ' HG2' ' HB2' ' B' ' 9' ' ' SER . 17.6 mt-10 -61.31 -38.49 87.04 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 178.586 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -80.07 -30.67 39.35 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 114.801 -1.09 . . . . 0.0 110.401 179.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 15' ' ' LEU . . . . . 0.623 ' HB2' ' HA ' ' D' ' 12' ' ' VAL . 11.1 mt -59.54 -61.97 2.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.97 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 16' ' ' TYR . . . . . 1.012 ' HB3' ' HE2' ' D' ' 24' ' ' PHE . 2.3 p90 -73.01 -5.09 36.5 Favored 'General case' 0 CA--C 1.528 0.103 0 C-N-CA 119.921 -0.712 . . . . 0.0 110.841 -179.333 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . 0.476 ' HB2' ' O ' ' D' ' 13' ' ' GLU . 9.0 tt -77.75 -45.82 23.55 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 177.56 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 90.0 t -73.37 -43.64 56.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.867 178.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 19' ' ' CYS . . . . . . . . . . . . . 78.1 m -68.36 -26.76 65.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.66 179.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.24 -102.98 0.79 Allowed Glycine 0 N--CA 1.45 -0.374 0 CA-C-N 115.994 -0.548 . . . . 0.0 113.003 179.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 21' ' ' GLU . . . . . 0.694 ' HB2' ' HD2' ' B' ' 29' ' ' LYS . 17.3 pt-20 -89.77 -13.57 36.41 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.917 0.389 . . . . 0.0 110.531 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 22' ' ' ARG . . . . . . . . . . . . . 85.4 mtm180 -78.67 140.93 38.31 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.085 179.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 23' ' ' GLY . . . . . 0.586 ' HA2' ' HD3' ' B' ' 28' ' ' PRO . . . -85.07 -177.23 50.88 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.508 -0.853 . . . . 0.0 111.62 179.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 24' ' ' PHE . . . . . 1.012 ' HE2' ' HB3' ' D' ' 16' ' ' TYR . 14.4 p90 -155.45 167.21 31.13 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.069 0.462 . . . . 0.0 111.031 179.543 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 25' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -114.45 120.62 40.92 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 179.25 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 26' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -120.27 120.47 36.16 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.12 0.486 . . . . 0.0 111.591 -178.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 27' ' ' THR . . . . . . . . . . . . . 1.2 p -115.72 111.21 43.68 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.447 178.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 28' ' ' PRO . . . . . 0.613 ' HD3' ' HA2' ' B' ' 23' ' ' GLY . 15.6 Cg_exo -68.76 -10.8 30.15 Favored 'Trans proline' 0 CA--C 1.529 0.252 0 C-N-CA 123.32 2.68 . . . . 0.0 114.015 -178.157 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 29' ' ' LYS . . . . . 0.733 ' HD2' ' HB2' ' B' ' 21' ' ' GLU . 78.6 tttt -103.03 -10.42 18.94 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.902 0.382 . . . . 0.0 111.131 -179.189 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 30' ' ' THR . . . . . 0.538 ' O ' HG22 ' C' ' 3' ' ' VAL . 34.8 m . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.543 -0.742 . . . . 0.0 109.911 179.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.657 0 N-CA-C 111.601 -0.6 . . . . 0.0 111.601 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' E' E ' 2' ' ' ILE . . . . . 0.54 HD11 HD11 ' F' ' 15' ' ' LEU . 13.4 tt -137.61 -38.26 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 111.784 0.29 . . . . 0.0 111.784 -179.577 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 3' ' ' VAL . . . . . 0.545 HG11 ' HA ' ' F' ' 28' ' ' PRO . 14.5 m -67.24 -50.17 65.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 120.516 -0.474 . . . . 0.0 112.262 -179.306 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 4' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -76.94 -8.17 56.89 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.8 0.333 . . . . 0.0 111.561 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -92.21 -36.32 13.33 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.746 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 6' ' ' CYS . . . . . . . . . . . . . 81.3 m -104.48 -34.86 8.09 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -178.178 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 7' ' ' CYS . . . . . 0.487 ' HB2' HD11 ' F' ' 11' ' ' LEU . 8.1 t -85.76 35.44 0.62 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.236 0.541 . . . . 0.0 110.741 -179.691 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 8' ' ' THR . . . . . 0.53 HG23 ' H ' ' E' ' 9' ' ' SER . 6.4 t -118.79 -63.6 1.38 Allowed 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 178.482 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 9' ' ' SER . . . . . 0.53 ' H ' HG23 ' E' ' 8' ' ' THR . 56.2 m -135.82 22.2 3.32 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 121.52 -0.738 . . . . 0.0 110.443 178.078 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 10' ' ' ILE . . . . . 0.557 HD12 HG12 ' J' ' 2' ' ' VAL . 2.6 mp 75.73 135.72 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 C-N-CA 123.591 0.756 . . . . 0.0 110.525 -178.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 11' ' ' CYS . . . . . . . . . . . . . 50.5 m -90.1 172.77 8.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.963 0.411 . . . . 0.0 111.081 179.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 12' ' ' SER . . . . . 0.585 ' HB3' ' HG3' ' E' ' 15' ' ' GLN . 47.1 t -86.54 152.27 22.77 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 177.504 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 9.3 tt -59.49 -34.15 72.23 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.091 0.472 . . . . 0.0 110.123 -179.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -71.86 -31.59 66.62 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.04 179.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . 0.585 ' HG3' ' HB3' ' E' ' 12' ' ' SER . 86.0 mt-30 -69.86 -33.14 71.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.129 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 16' ' ' LEU . . . . . . . . . . . . . 75.6 mt -67.08 -29.16 68.85 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.849 0.357 . . . . 0.0 110.452 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 17' ' ' GLU . . . . . 0.679 ' HA ' ' SG ' ' E' ' 20' ' ' CYS . 65.9 tt0 -71.81 -12.68 61.41 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.17 0.509 . . . . 0.0 110.721 179.57 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 18' ' ' ASN . . . . . 0.488 ' HB2' ' O ' ' E' ' 15' ' ' GLN . 3.8 m120 -70.52 -16.82 62.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.209 178.614 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 19' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -106.75 7.15 30.23 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.268 -179.054 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 20' ' ' CYS . . . . . 0.679 ' SG ' ' HA ' ' E' ' 17' ' ' GLU . 84.6 m -75.98 83.02 2.86 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.686 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 21' ' ' ASN . . . . . 0.423 HD22 ' HA ' ' E' ' 21' ' ' ASN . 0.4 OUTLIER . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.316 -0.849 . . . . 0.0 111.124 178.616 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' F' F ' 1' ' ' PHE . . . . . . . . . . . . . 18.1 t80 . . . . . 0 N--CA 1.479 1.013 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' F' F ' 2' ' ' VAL . . . . . 0.639 ' HB ' ' CD1' ' F' ' 6' ' ' LEU . 13.2 m -65.34 102.62 0.42 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-O 121.392 0.615 . . . . 0.0 110.853 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' F' F ' 3' ' ' ASN . . . . . 0.54 ' O ' ' HB3' ' F' ' 7' ' ' CYS . 46.7 t30 -164.94 -68.88 0.04 OUTLIER 'General case' 0 C--O 1.212 -0.869 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.312 -179.299 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' F' F ' 4' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -53.66 -46.8 70.7 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.867 0.365 . . . . 0.0 111.754 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 5' ' ' HIS . . . . . . . . . . . . . 52.6 t60 -80.55 -3.15 49.13 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.5 0.556 . . . . 0.0 112.5 -178.234 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 6' ' ' LEU . . . . . 0.639 ' CD1' ' HB ' ' F' ' 2' ' ' VAL . 23.5 mt -115.17 -27.68 7.21 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.314 0.578 . . . . 0.0 110.726 179.598 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' F' F ' 7' ' ' CYS . . . . . 0.54 ' HB3' ' O ' ' F' ' 3' ' ' ASN . 0.0 OUTLIER -92.1 -36.68 13.2 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.12 -178.297 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' F' F ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.86 -33.48 60.17 Favored Glycine 0 C--N 1.334 0.46 0 C-N-CA 121.264 -0.494 . . . . 0.0 113.07 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 9' ' ' SER . . . . . 0.826 ' HB2' ' HG2' ' H' ' 13' ' ' GLU . 86.2 p -67.39 -12.65 60.76 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.951 0.405 . . . . 0.0 111.788 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' F' F ' 10' ' ' HIS . . . . . 0.705 ' HA ' ' HG3' ' F' ' 13' ' ' GLU . 99.0 m-70 -110.33 -16.05 13.81 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.886 -179.572 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' F' F ' 11' ' ' LEU . . . . . 0.487 HD11 ' HB2' ' E' ' 7' ' ' CYS . 19.8 mt -71.71 -31.76 67.07 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 177.699 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' F' F ' 12' ' ' VAL . . . . . 0.608 ' HA ' ' HB2' ' F' ' 15' ' ' LEU . 1.4 m -68.52 -28.01 38.64 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-N 114.927 -1.033 . . . . 0.0 111.071 179.003 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' F' F ' 13' ' ' GLU . . . . . 0.837 ' HG2' ' HB2' ' H' ' 9' ' ' SER . 18.8 mt-10 -61.53 -38.47 87.53 Favored 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 178.783 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' F' F ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.98 -30.14 39.65 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 114.955 -1.02 . . . . 0.0 110.392 178.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 15' ' ' LEU . . . . . 0.608 ' HB2' ' HA ' ' F' ' 12' ' ' VAL . 11.2 mt -59.79 -61.64 2.46 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.011 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' F' F ' 16' ' ' TYR . . . . . 1.001 ' HB3' ' HE2' ' F' ' 24' ' ' PHE . 2.4 p90 -73.51 -4.51 34.29 Favored 'General case' 0 C--N 1.333 -0.131 0 C-N-CA 119.877 -0.729 . . . . 0.0 110.819 -179.298 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' F' F ' 17' ' ' LEU . . . . . 0.47 ' HB2' ' O ' ' F' ' 13' ' ' GLU . 8.9 tt -77.98 -45.75 22.98 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 177.451 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 85.4 t -73.5 -44.9 53.14 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.749 178.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 19' ' ' CYS . . . . . . . . . . . . . 77.6 m -66.5 -27.32 67.68 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.724 179.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.14 -102.58 0.8 Allowed Glycine 0 C--N 1.331 0.29 0 CA-C-N 115.985 -0.552 . . . . 0.0 112.706 179.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 21' ' ' GLU . . . . . 0.69 ' HB2' ' HD2' ' H' ' 29' ' ' LYS . 16.9 pt-20 -90.5 -13.29 34.99 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.095 0.474 . . . . 0.0 110.706 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' F' F ' 22' ' ' ARG . . . . . . . . . . . . . 85.6 mtm180 -78.55 140.21 38.55 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.245 179.202 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 23' ' ' GLY . . . . . 0.59 ' HA2' ' HD3' ' H' ' 28' ' ' PRO . . . -84.87 -177.89 51.06 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.472 -0.87 . . . . 0.0 111.696 179.577 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' F' F ' 24' ' ' PHE . . . . . 1.001 ' HE2' ' HB3' ' F' ' 16' ' ' TYR . 13.8 p90 -154.98 167.39 30.5 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.17 0.51 . . . . 0.0 111.052 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' F' F ' 25' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -114.96 119.44 36.53 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 179.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 26' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -119.01 121.04 39.0 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.203 0.525 . . . . 0.0 111.592 -178.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 27' ' ' THR . . . . . 0.447 ' HA ' ' HD3' ' F' ' 28' ' ' PRO . 1.2 p -116.33 111.38 42.23 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 115.177 -0.92 . . . . 0.0 109.258 178.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' F' F ' 28' ' ' PRO . . . . . 0.624 ' HD3' ' HA2' ' H' ' 23' ' ' GLY . 16.4 Cg_exo -69.34 -11.2 30.84 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 123.341 2.694 . . . . 0.0 113.907 -177.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' F' F ' 29' ' ' LYS . . . . . 0.768 ' HD2' ' HB2' ' H' ' 21' ' ' GLU . 77.8 tttt -102.44 -12.56 17.76 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.821 -0.351 . . . . 0.0 110.737 -179.239 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' F' F ' 30' ' ' THR . . . . . 0.522 ' O ' HG22 ' E' ' 3' ' ' VAL . 26.5 m . . . . . 0 C--O 1.248 0.981 0 CA-C-O 118.68 -0.676 . . . . 0.0 110.088 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.438 0 N-CA-C 111.729 -0.548 . . . . 0.0 111.729 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' G' G ' 2' ' ' ILE . . . . . 0.552 HD11 HD11 ' H' ' 15' ' ' LEU . 13.4 tt -138.74 -38.91 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.87 0.335 . . . . 0.0 111.543 -179.553 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' G' G ' 3' ' ' VAL . . . . . 0.569 HG22 ' O ' ' H' ' 30' ' ' THR . 15.3 m -67.34 -49.51 71.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 C-N-CA 120.309 -0.557 . . . . 0.0 112.269 -179.206 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' G' G ' 4' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -77.05 -8.93 58.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 122.109 -0.369 . . . . 0.0 111.51 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 5' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -91.59 -36.81 13.46 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 120.966 0.412 . . . . 0.0 110.706 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 6' ' ' CYS . . . . . . . . . . . . . 84.0 m -103.69 -35.07 8.38 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 113.232 0.827 . . . . 0.0 113.232 -178.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 7' ' ' CYS . . . . . 0.482 ' HB2' HD11 ' H' ' 11' ' ' LEU . 8.0 t -85.68 36.26 0.65 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.385 0.612 . . . . 0.0 110.877 -179.749 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' G' G ' 8' ' ' THR . . . . . 0.544 HG23 ' H ' ' G' ' 9' ' ' SER . 5.8 t -119.37 -63.87 1.34 Allowed 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 178.458 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' G' G ' 9' ' ' SER . . . . . 0.544 ' H ' HG23 ' G' ' 8' ' ' THR . 54.9 m -136.48 24.17 3.18 Favored 'General case' 0 C--N 1.322 -0.595 0 O-C-N 121.684 -0.635 . . . . 0.0 110.46 177.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' G' G ' 10' ' ' ILE . . . . . 0.541 HD12 HG12 ' D' ' 2' ' ' VAL . 2.8 mp 74.11 137.32 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.682 -179.164 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' G' G ' 11' ' ' CYS . . . . . . . . . . . . . 47.3 m -91.82 173.65 7.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.249 0.547 . . . . 0.0 111.167 179.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 12' ' ' SER . . . . . 0.609 ' HB3' ' HG3' ' G' ' 15' ' ' GLN . 38.1 t -87.06 150.51 23.97 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 177.649 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' G' G ' 13' ' ' LEU . . . . . . . . . . . . . 9.1 tt -58.3 -33.98 70.05 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.053 0.454 . . . . 0.0 110.127 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -72.65 -30.0 63.93 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.248 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 15' ' ' GLN . . . . . 0.609 ' HG3' ' HB3' ' G' ' 12' ' ' SER . 86.9 mt-30 -71.54 -32.53 68.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.985 179.805 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' G' G ' 16' ' ' LEU . . . . . . . . . . . . . 77.6 mt -67.47 -28.92 68.27 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.379 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 17' ' ' GLU . . . . . 0.671 ' HA ' ' SG ' ' G' ' 20' ' ' CYS . 63.3 tt0 -71.83 -14.04 61.86 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-O 121.086 0.47 . . . . 0.0 110.599 179.551 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' G' G ' 18' ' ' ASN . . . . . 0.491 ' HB2' ' O ' ' G' ' 15' ' ' GLN . 3.7 m120 -68.46 -18.58 64.44 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.173 178.531 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' G' G ' 19' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -105.13 6.41 33.13 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.327 -178.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 20' ' ' CYS . . . . . 0.671 ' SG ' ' HA ' ' G' ' 17' ' ' GLU . 88.1 m -74.59 82.76 2.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.837 0.351 . . . . 0.0 111.932 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' G' G ' 21' ' ' ASN . . . . . 0.437 HD22 ' HA ' ' G' ' 21' ' ' ASN . 0.4 OUTLIER . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.073 -0.965 . . . . 0.0 110.839 178.628 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' H' H ' 1' ' ' PHE . . . . . . . . . . . . . 18.3 t80 . . . . . 0 N--CA 1.482 1.126 0 N-CA-C 110.013 -0.365 . . . . 0.0 110.013 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' H' H ' 2' ' ' VAL . . . . . 0.633 ' HB ' ' CD1' ' H' ' 6' ' ' LEU . 13.7 m -64.39 102.22 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.13 0 CA-C-O 121.315 0.579 . . . . 0.0 110.847 179.58 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' H' H ' 3' ' ' ASN . . . . . 0.549 ' O ' ' HB3' ' H' ' 7' ' ' CYS . 45.6 t30 -165.14 -68.23 0.03 OUTLIER 'General case' 0 C--O 1.212 -0.875 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.265 -179.277 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' H' H ' 4' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -54.3 -46.1 72.69 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.856 0.36 . . . . 0.0 111.75 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' H' H ' 5' ' ' HIS . . . . . . . . . . . . . 51.1 t60 -81.7 -2.41 50.39 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -178.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' H' H ' 6' ' ' LEU . . . . . 0.633 ' CD1' ' HB ' ' H' ' 2' ' ' VAL . 24.6 mt -115.61 -27.35 7.14 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.186 0.517 . . . . 0.0 110.649 179.539 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' H' H ' 7' ' ' CYS . . . . . 0.549 ' HB3' ' O ' ' H' ' 3' ' ' ASN . 0.0 OUTLIER -92.5 -36.6 12.98 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.993 -178.408 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' H' H ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.53 -33.97 59.59 Favored Glycine 0 C--N 1.333 0.409 0 C-N-CA 121.234 -0.507 . . . . 0.0 113.061 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' H' H ' 9' ' ' SER . . . . . 0.837 ' HB2' ' HG2' ' F' ' 13' ' ' GLU . 88.6 p -67.32 -12.21 59.58 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.898 0.38 . . . . 0.0 111.899 -179.777 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' H' H ' 10' ' ' HIS . . . . . 0.707 ' HA ' ' HG3' ' H' ' 13' ' ' GLU . 98.9 m-70 -110.76 -15.66 13.77 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.777 -179.529 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' H' H ' 11' ' ' LEU . . . . . 0.482 HD11 ' HB2' ' G' ' 7' ' ' CYS . 20.3 mt -72.23 -31.6 65.98 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 177.661 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' H' H ' 12' ' ' VAL . . . . . 0.632 ' HA ' ' HB2' ' H' ' 15' ' ' LEU . 1.4 m -68.97 -27.74 36.73 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.19 178.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' H' H ' 13' ' ' GLU . . . . . 0.826 ' HG2' ' HB2' ' F' ' 9' ' ' SER . 17.9 mt-10 -61.53 -38.84 88.88 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 178.562 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' H' H ' 14' ' ' ALA . . . . . . . . . . . . . . . -79.58 -30.76 41.69 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 114.885 -1.052 . . . . 0.0 110.463 178.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' H' H ' 15' ' ' LEU . . . . . 0.632 ' HB2' ' HA ' ' H' ' 12' ' ' VAL . 11.0 mt -59.44 -61.76 2.39 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.899 -0.591 . . . . 0.0 112.052 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' H' H ' 16' ' ' TYR . . . . . 0.964 ' HB3' ' HE2' ' H' ' 24' ' ' PHE . 2.3 p90 -73.23 -4.97 36.34 Favored 'General case' 0 C--O 1.227 -0.117 0 C-N-CA 119.817 -0.753 . . . . 0.0 110.886 -179.293 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' H' H ' 17' ' ' LEU . . . . . 0.477 ' HB2' ' O ' ' H' ' 13' ' ' GLU . 9.1 tt -77.48 -46.29 22.95 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 177.584 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 86.7 t -73.31 -42.67 57.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.961 178.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' H' H ' 19' ' ' CYS . . . . . . . . . . . . . 76.0 m -69.32 -26.39 64.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.481 179.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' H' H ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.38 -102.4 0.73 Allowed Glycine 0 C--N 1.33 0.214 0 CA-C-N 116.067 -0.515 . . . . 0.0 112.825 179.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' H' H ' 21' ' ' GLU . . . . . 0.768 ' HB2' ' HD2' ' F' ' 29' ' ' LYS . 14.9 pt-20 -90.71 -13.59 33.82 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.035 0.445 . . . . 0.0 110.341 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' H' H ' 22' ' ' ARG . . . . . . . . . . . . . 85.2 mtm180 -78.12 138.98 39.01 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.285 179.152 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' H' H ' 23' ' ' GLY . . . . . 0.624 ' HA2' ' HD3' ' F' ' 28' ' ' PRO . . . -83.6 -178.42 51.95 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.726 -0.75 . . . . 0.0 111.623 179.57 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' H' H ' 24' ' ' PHE . . . . . 0.964 ' HE2' ' HB3' ' H' ' 16' ' ' TYR . 15.7 p90 -154.76 167.65 29.51 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.982 0.42 . . . . 0.0 111.135 179.537 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' H' H ' 25' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -114.81 119.77 37.75 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 179.386 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' H' H ' 26' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -119.33 120.86 38.17 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.117 0.484 . . . . 0.0 111.812 -178.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' H' H ' 27' ' ' THR . . . . . 0.403 ' HA ' ' HD3' ' H' ' 28' ' ' PRO . 1.2 p -116.13 110.6 43.35 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.368 179.184 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' H' H ' 28' ' ' PRO . . . . . 0.59 ' HD3' ' HA2' ' F' ' 23' ' ' GLY . 16.1 Cg_exo -68.56 -11.38 31.77 Favored 'Trans proline' 0 CA--C 1.528 0.211 0 C-N-CA 123.295 2.663 . . . . 0.0 113.836 -178.173 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' H' H ' 29' ' ' LYS . . . . . 0.69 ' HD2' ' HB2' ' F' ' 21' ' ' GLU . 77.5 tttt -102.02 -11.96 18.52 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.89 0.376 . . . . 0.0 110.937 -179.306 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' H' H ' 30' ' ' THR . . . . . 0.569 ' O ' HG22 ' G' ' 3' ' ' VAL . 50.6 m . . . . . 0 C--O 1.251 1.17 0 CA-C-O 118.438 -0.791 . . . . 0.0 110.526 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.795 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' I' I ' 2' ' ' ILE . . . . . 0.533 HD11 HD11 ' J' ' 15' ' ' LEU . 13.3 tt -138.87 -38.27 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 O-C-N 122.66 -0.318 . . . . 0.0 111.728 -179.637 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' I' I ' 3' ' ' VAL . . . . . 0.565 HG22 ' O ' ' J' ' 30' ' ' THR . 15.5 m -67.89 -49.77 65.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 120.407 -0.517 . . . . 0.0 112.064 -179.106 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' I' I ' 4' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -76.68 -8.74 57.85 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.483 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 5' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -91.72 -37.47 12.99 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.757 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 6' ' ' CYS . . . . . . . . . . . . . 87.6 m -103.19 -34.87 8.67 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 -178.039 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 7' ' ' CYS . . . . . 0.485 ' HB2' HD11 ' J' ' 11' ' ' LEU . 7.9 t -85.73 35.58 0.63 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.231 0.539 . . . . 0.0 110.78 -179.568 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' I' I ' 8' ' ' THR . . . . . 0.514 ' C ' HG13 ' B' ' 2' ' ' VAL . 5.0 t -118.72 -63.8 1.36 Allowed 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 178.34 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' I' I ' 9' ' ' SER . . . . . 0.514 ' H ' HG23 ' I' ' 8' ' ' THR . 40.5 m -134.81 20.08 3.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 121.662 -0.649 . . . . 0.0 110.586 178.279 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' I' I ' 10' ' ' ILE . . . . . 0.555 HD12 HG12 ' B' ' 2' ' ' VAL . 2.6 mp 77.42 137.5 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 123.532 0.733 . . . . 0.0 110.2 -178.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' I' I ' 11' ' ' CYS . . . . . . . . . . . . . 55.0 m -92.47 172.17 8.56 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.322 0.582 . . . . 0.0 111.128 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 12' ' ' SER . . . . . 0.534 ' HB3' ' HG3' ' I' ' 15' ' ' GLN . 41.1 t -85.58 151.37 23.96 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 177.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' I' I ' 13' ' ' LEU . . . . . . . . . . . . . 9.2 tt -58.85 -33.31 70.29 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.139 0.495 . . . . 0.0 110.361 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -72.96 -31.61 64.67 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.002 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 15' ' ' GLN . . . . . 0.534 ' HG3' ' HB3' ' I' ' 12' ' ' SER . 88.3 mt-30 -69.73 -33.33 72.32 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.197 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' I' I ' 16' ' ' LEU . . . . . . . . . . . . . 77.7 mt -66.48 -29.43 69.54 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.863 0.363 . . . . 0.0 110.58 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 17' ' ' GLU . . . . . 0.69 ' HA ' ' SG ' ' I' ' 20' ' ' CYS . 62.9 tt0 -71.59 -14.08 61.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.623 179.594 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' I' I ' 18' ' ' ASN . . . . . 0.491 ' HB2' ' O ' ' I' ' 15' ' ' GLN . 3.6 m120 -69.29 -16.03 63.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.135 0.493 . . . . 0.0 110.276 178.555 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' I' I ' 19' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -107.92 7.81 28.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.069 -179.11 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 20' ' ' CYS . . . . . 0.69 ' SG ' ' HA ' ' I' ' 17' ' ' GLU . 85.9 m -76.38 82.36 3.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.115 0.483 . . . . 0.0 111.687 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' I' I ' 21' ' ' ASN . . . . . 0.441 ' HA ' HD22 ' I' ' 21' ' ' ASN . 0.4 OUTLIER . . . . . 0 C--O 1.25 1.124 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.606 178.462 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' J' J ' 1' ' ' PHE . . . . . . . . . . . . . 21.6 t80 . . . . . 0 N--CA 1.48 1.068 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' J' J ' 2' ' ' VAL . . . . . 0.637 ' HB ' ' CD1' ' J' ' 6' ' ' LEU . 13.0 m -66.75 102.61 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 CA-C-O 121.435 0.636 . . . . 0.0 110.328 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' J' J ' 3' ' ' ASN . . . . . 0.522 ' O ' ' HB3' ' J' ' 7' ' ' CYS . 46.0 t30 -165.28 -69.39 0.03 OUTLIER 'General case' 0 C--O 1.214 -0.798 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.019 -179.047 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' J' J ' 4' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -53.33 -46.19 69.36 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.945 0.403 . . . . 0.0 111.906 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' J' J ' 5' ' ' HIS . . . . . . . . . . . . . 51.6 t60 -81.17 -3.31 51.77 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -178.228 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' J' J ' 6' ' ' LEU . . . . . 0.637 ' CD1' ' HB ' ' J' ' 2' ' ' VAL . 23.6 mt -115.11 -27.37 7.34 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.218 0.532 . . . . 0.0 110.839 179.736 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' J' J ' 7' ' ' CYS . . . . . 0.522 ' HB3' ' O ' ' J' ' 3' ' ' ASN . 0.0 OUTLIER -92.35 -36.6 13.08 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.075 -178.492 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' J' J ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.36 -34.31 59.3 Favored Glycine 0 C--N 1.334 0.443 0 C-N-CA 121.296 -0.478 . . . . 0.0 113.138 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' J' J ' 9' ' ' SER . . . . . 0.86 ' HB2' ' HG2' ' L' ' 13' ' ' GLU . 86.7 p -67.21 -12.32 59.76 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.955 0.407 . . . . 0.0 111.98 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' J' J ' 10' ' ' HIS . . . . . 0.699 ' HA ' ' HG3' ' J' ' 13' ' ' GLU . 99.0 m-70 -110.36 -15.94 13.83 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.816 0.341 . . . . 0.0 110.853 -179.59 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' J' J ' 11' ' ' LEU . . . . . 0.485 HD11 ' HB2' ' I' ' 7' ' ' CYS . 20.0 mt -72.12 -31.99 66.55 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 107.934 -1.135 . . . . 0.0 107.934 177.525 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' J' J ' 12' ' ' VAL . . . . . 0.632 ' HA ' ' HB2' ' J' ' 15' ' ' LEU . 1.4 m -68.15 -28.14 39.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 114.889 -1.05 . . . . 0.0 111.136 178.775 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' J' J ' 13' ' ' GLU . . . . . 0.857 ' HG2' ' HB2' ' L' ' 9' ' ' SER . 18.2 mt-10 -61.58 -38.15 86.51 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 178.666 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' J' J ' 14' ' ' ALA . . . . . . . . . . . . . . . -80.18 -30.97 38.86 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.333 178.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' J' J ' 15' ' ' LEU . . . . . 0.632 ' HB2' ' HA ' ' J' ' 12' ' ' VAL . 11.0 mt -59.21 -61.69 2.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.824 -0.625 . . . . 0.0 112.06 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' J' J ' 16' ' ' TYR . . . . . 0.997 ' HB3' ' HE2' ' J' ' 24' ' ' PHE . 2.3 p90 -73.7 -4.07 32.19 Favored 'General case' 0 C--O 1.227 -0.111 0 C-N-CA 119.803 -0.759 . . . . 0.0 110.804 -179.196 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' J' J ' 17' ' ' LEU . . . . . 0.485 ' HB2' ' O ' ' J' ' 13' ' ' GLU . 8.9 tt -78.31 -45.97 21.32 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 177.538 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 87.5 t -73.06 -44.03 57.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.285 -0.871 . . . . 0.0 109.889 178.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' J' J ' 19' ' ' CYS . . . . . . . . . . . . . 77.9 m -67.63 -27.3 66.76 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.6 179.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' J' J ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.11 -101.99 0.73 Allowed Glycine 0 C--N 1.33 0.218 0 CA-C-N 116.078 -0.51 . . . . 0.0 112.991 179.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' J' J ' 21' ' ' GLU . . . . . 0.712 ' HB2' ' HD2' ' L' ' 29' ' ' LYS . 17.6 pt-20 -91.14 -13.66 32.58 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.863 0.364 . . . . 0.0 110.306 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' J' J ' 22' ' ' ARG . . . . . . . . . . . . . 86.7 mtm180 -78.59 140.03 38.52 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.188 179.363 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' J' J ' 23' ' ' GLY . . . . . 0.613 ' HA2' ' HD3' ' L' ' 28' ' ' PRO . . . -84.23 -177.53 51.37 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.571 -0.823 . . . . 0.0 111.75 179.563 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' J' J ' 24' ' ' PHE . . . . . 0.997 ' HE2' ' HB3' ' J' ' 16' ' ' TYR . 15.3 p90 -155.23 167.77 29.25 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.045 0.45 . . . . 0.0 110.926 179.554 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' J' J ' 25' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -114.86 121.05 42.04 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 179.266 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' J' J ' 26' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -120.68 120.36 35.47 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.085 0.469 . . . . 0.0 111.591 -178.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' J' J ' 27' ' ' THR . . . . . . . . . . . . . 1.2 p -115.68 110.68 44.26 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.432 179.01 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' J' J ' 28' ' ' PRO . . . . . 0.593 ' HD3' ' HA2' ' L' ' 23' ' ' GLY . 16.5 Cg_exo -68.4 -11.35 31.7 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 123.205 2.604 . . . . 0.0 113.869 -178.07 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' J' J ' 29' ' ' LYS . . . . . 0.693 ' HD2' ' HB2' ' L' ' 21' ' ' GLU . 78.0 tttt -101.9 -13.12 17.77 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.777 0.322 . . . . 0.0 110.844 -179.181 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' J' J ' 30' ' ' THR . . . . . 0.565 ' O ' HG22 ' I' ' 3' ' ' VAL . 28.0 m . . . . . 0 C--O 1.25 1.12 0 CA-C-O 118.529 -0.748 . . . . 0.0 110.386 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.647 0 N-CA-C 112.088 -0.405 . . . . 0.0 112.088 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' K' K ' 2' ' ' ILE . . . . . 0.52 HD11 HD11 ' L' ' 15' ' ' LEU . 13.7 tt -140.92 -37.69 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' K' K ' 3' ' ' VAL . . . . . 0.574 HG11 ' HA ' ' L' ' 28' ' ' PRO . 15.1 m -68.35 -49.0 70.46 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -179.168 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' K' K ' 4' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -77.44 -9.77 59.07 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.867 -0.333 . . . . 0.0 111.446 179.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' K' K ' 5' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -90.79 -36.61 14.15 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.789 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' K' K ' 6' ' ' CYS . . . . . . . . . . . . . 90.3 m -104.41 -33.95 8.43 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 113.256 0.835 . . . . 0.0 113.256 -177.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' K' K ' 7' ' ' CYS . . . . . 0.499 ' HB2' HD11 ' L' ' 11' ' ' LEU . 8.5 t -86.57 35.91 0.68 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.184 0.516 . . . . 0.0 110.719 -179.668 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' K' K ' 8' ' ' THR . . . . . 0.497 ' C ' HG13 ' H' ' 2' ' ' VAL . 5.6 t -119.54 -61.52 1.61 Allowed 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 178.505 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' K' K ' 9' ' ' SER . . . . . 0.476 ' O ' ' HB ' ' K' ' 10' ' ' ILE . 49.9 m -137.47 22.06 2.94 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 121.766 -0.584 . . . . 0.0 110.611 178.142 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' K' K ' 10' ' ' ILE . . . . . 0.547 HD12 HG12 ' H' ' 2' ' ' VAL . 2.7 mp 75.72 137.46 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 C-N-CA 123.611 0.764 . . . . 0.0 110.309 -178.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' K' K ' 11' ' ' CYS . . . . . . . . . . . . . 51.4 m -92.68 172.73 8.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.312 0.577 . . . . 0.0 111.124 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' K' K ' 12' ' ' SER . . . . . 0.592 ' HB3' ' HG3' ' K' ' 15' ' ' GLN . 40.4 t -85.82 150.44 24.55 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 177.632 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' K' K ' 13' ' ' LEU . . . . . . . . . . . . . 9.3 tt -58.59 -33.09 69.59 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.102 0.477 . . . . 0.0 110.259 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -73.14 -31.07 64.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.944 179.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' K' K ' 15' ' ' GLN . . . . . 0.592 ' HG3' ' HB3' ' K' ' 12' ' ' SER . 87.9 mt-30 -70.1 -33.82 72.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.875 0.369 . . . . 0.0 111.054 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' K' K ' 16' ' ' LEU . . . . . . . . . . . . . 77.8 mt -66.32 -29.15 69.29 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.886 0.374 . . . . 0.0 110.624 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' K' K ' 17' ' ' GLU . . . . . 0.69 ' HA ' ' SG ' ' K' ' 20' ' ' CYS . 64.5 tt0 -71.67 -13.47 61.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.547 179.555 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' K' K ' 18' ' ' ASN . . . . . 0.49 ' HB2' ' O ' ' K' ' 15' ' ' GLN . 3.6 m120 -69.73 -16.58 63.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.327 178.698 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' K' K ' 19' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -106.75 5.39 28.63 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.226 -178.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' K' K ' 20' ' ' CYS . . . . . 0.69 ' SG ' ' HA ' ' K' ' 17' ' ' GLU . 84.9 m -74.08 84.22 1.8 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.795 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' K' K ' 21' ' ' ASN . . . . . 0.424 HD22 ' HA ' ' K' ' 21' ' ' ASN . 0.4 OUTLIER . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.195 -0.907 . . . . 0.0 111.458 178.621 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' L' L ' 1' ' ' PHE . . . . . . . . . . . . . 19.3 t80 . . . . . 0 N--CA 1.48 1.073 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' L' L ' 2' ' ' VAL . . . . . 0.641 ' HB ' ' CD1' ' L' ' 6' ' ' LEU . 13.3 m -65.56 102.27 0.42 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 CA-C-O 121.334 0.588 . . . . 0.0 110.724 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' L' L ' 3' ' ' ASN . . . . . 0.536 ' O ' ' HB3' ' L' ' 7' ' ' CYS . 45.3 t30 -165.34 -69.01 0.03 OUTLIER 'General case' 0 C--O 1.215 -0.745 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.025 -179.289 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' L' L ' 4' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -53.21 -46.16 68.94 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.879 0.371 . . . . 0.0 111.935 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' L' L ' 5' ' ' HIS . . . . . . . . . . . . . 54.0 t60 -81.79 -2.99 52.78 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -178.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' L' L ' 6' ' ' LEU . . . . . 0.641 ' CD1' ' HB ' ' L' ' 2' ' ' VAL . 23.3 mt -115.25 -27.29 7.31 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.199 0.523 . . . . 0.0 110.751 179.641 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' L' L ' 7' ' ' CYS . . . . . 0.536 ' HB3' ' O ' ' L' ' 3' ' ' ASN . 0.0 OUTLIER -92.42 -36.39 13.15 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.136 -178.417 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' L' L ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.34 -34.4 59.33 Favored Glycine 0 C--N 1.336 0.544 0 CA-C-N 116.231 -0.44 . . . . 0.0 113.195 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' L' L ' 9' ' ' SER . . . . . 0.857 ' HB2' ' HG2' ' J' ' 13' ' ' GLU . 85.3 p -67.32 -12.35 59.93 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.861 0.363 . . . . 0.0 111.803 -179.693 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' L' L ' 10' ' ' HIS . . . . . 0.707 ' HA ' ' HG3' ' L' ' 13' ' ' GLU . 99.0 m-70 -110.39 -15.89 13.83 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.709 0.29 . . . . 0.0 110.902 -179.524 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' L' L ' 11' ' ' LEU . . . . . 0.499 HD11 ' HB2' ' K' ' 7' ' ' CYS . 20.0 mt -71.98 -32.21 67.02 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 107.818 -1.178 . . . . 0.0 107.818 177.687 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' L' L ' 12' ' ' VAL . . . . . 0.616 ' HA ' ' HB2' ' L' ' 15' ' ' LEU . 1.6 m -68.21 -28.25 40.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 CA-C-N 114.962 -1.017 . . . . 0.0 111.176 178.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' L' L ' 13' ' ' GLU . . . . . 0.86 ' HG2' ' HB2' ' J' ' 9' ' ' SER . 18.1 mt-10 -61.31 -38.38 86.64 Favored 'General case' 0 CA--C 1.52 -0.181 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 178.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' L' L ' 14' ' ' ALA . . . . . . . . . . . . . . . -80.19 -30.47 38.73 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 114.92 -1.037 . . . . 0.0 110.417 178.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' L' L ' 15' ' ' LEU . . . . . 0.616 ' HB2' ' HA ' ' L' ' 12' ' ' VAL . 10.8 mt -59.61 -61.79 2.36 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.887 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' L' L ' 16' ' ' TYR . . . . . 0.967 ' HB3' ' HE2' ' L' ' 24' ' ' PHE . 2.3 p90 -73.39 -4.52 33.98 Favored 'General case' 0 C--N 1.334 -0.084 0 C-N-CA 119.892 -0.723 . . . . 0.0 110.921 -179.371 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' L' L ' 17' ' ' LEU . . . . . 0.492 ' HB2' ' O ' ' L' ' 13' ' ' GLU . 9.1 tt -78.02 -45.9 22.43 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 177.585 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 88.4 t -73.43 -44.38 54.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.155 -0.93 . . . . 0.0 109.838 178.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' L' L ' 19' ' ' CYS . . . . . . . . . . . . . 74.8 m -66.68 -28.05 68.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.694 179.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' L' L ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.87 -101.95 0.78 Allowed Glycine 0 N--CA 1.452 -0.299 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.776 179.231 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' L' L ' 21' ' ' GLU . . . . . 0.693 ' HB2' ' HD2' ' J' ' 29' ' ' LYS . 17.4 pt-20 -91.34 -13.43 32.55 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.003 0.43 . . . . 0.0 110.482 179.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' L' L ' 22' ' ' ARG . . . . . . . . . . . . . 85.8 mtm180 -78.67 139.5 38.5 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.161 179.053 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' L' L ' 23' ' ' GLY . . . . . 0.593 ' HA2' ' HD3' ' J' ' 28' ' ' PRO . . . -83.78 -178.18 51.77 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.844 -0.693 . . . . 0.0 111.735 179.573 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' L' L ' 24' ' ' PHE . . . . . 0.967 ' HE2' ' HB3' ' L' ' 16' ' ' TYR . 15.4 p90 -154.91 167.45 30.27 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.073 0.463 . . . . 0.0 110.828 179.501 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' L' L ' 25' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -114.25 121.2 42.98 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 179.296 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' L' L ' 26' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -120.87 120.12 34.61 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.169 0.509 . . . . 0.0 111.64 -178.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' L' L ' 27' ' ' THR . . . . . 0.432 ' HA ' ' HD3' ' L' ' 28' ' ' PRO . 1.3 p -115.32 111.49 44.4 Favored Pre-proline 0 C--N 1.321 -0.668 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.342 179.027 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' L' L ' 28' ' ' PRO . . . . . 0.613 ' HD3' ' HA2' ' J' ' 23' ' ' GLY . 15.6 Cg_exo -69.62 -10.68 29.29 Favored 'Trans proline' 0 N--CA 1.473 0.265 0 C-N-CA 123.182 2.588 . . . . 0.0 113.797 -178.096 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' L' L ' 29' ' ' LYS . . . . . 0.712 ' HD2' ' HB2' ' J' ' 21' ' ' GLU . 78.8 tttt -102.9 -10.51 18.98 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.852 0.358 . . . . 0.0 110.985 -179.367 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' L' L ' 30' ' ' THR . . . . . 0.552 ' O ' HG22 ' K' ' 3' ' ' VAL . 36.1 m . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.481 -0.771 . . . . 0.0 110.246 179.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' IPH . . . . . 0.46 ' H5 ' HD11 ' H' ' 17' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 22' ' ' IPH . . . . . 0.458 ' H5 ' HD11 ' J' ' 17' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 22' ' ' IPH . . . . . 0.467 ' H5 ' HD11 ' L' ' 17' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 22' ' ' IPH . . . . . 0.46 ' H5 ' HD11 ' B' ' 17' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 22' ' ' IPH . . . . . 0.467 ' H5 ' HD11 ' D' ' 17' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' K' K ' 22' ' ' IPH . . . . . 0.448 ' H5 ' HD11 ' F' ' 17' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.823 0 N-CA-C 112.026 -0.43 . . . . 0.0 112.026 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.762 HD13 ' HE1' ' B' ' 26' ' ' TYR . 10.7 tt -167.63 -25.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 120.836 0.35 . . . . 0.0 110.668 179.509 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.405 ' CG2' ' HB2' ' B' ' 28' ' ' PRO . 40.0 t -59.59 -75.07 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.518 -0.252 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.139 -179.664 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -59.2 -32.94 70.39 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.3 0.571 . . . . 0.0 110.974 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.429 ' HG2' ' SG ' ' A' ' 11' ' ' CYS . 33.3 tt0 -62.79 -47.75 82.11 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.195 -0.911 . . . . 0.0 112.775 -179.159 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 80.6 m -101.04 -27.31 13.34 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 -177.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 11.9 t -77.95 -2.2 35.73 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 122.093 -0.38 . . . . 0.0 111.121 -178.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.3 t -82.76 -44.52 15.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.023 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.414 ' HA ' ' O ' ' F' ' 2' ' ' VAL . 11.5 p -163.95 27.31 0.08 Allowed 'General case' 0 C--O 1.234 0.282 0 N-CA-C 111.585 0.217 . . . . 0.0 111.585 -179.646 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.861 HD13 ' HB3' ' F' ' 3' ' ' ASN . 1.7 mp 69.71 135.34 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 179.229 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.553 ' HB3' ' HG2' ' A' ' 15' ' ' GLN . 98.3 m -93.46 157.47 16.2 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.883 -1.053 . . . . 0.0 109.572 178.391 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.9 m -72.64 167.92 19.76 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.731 0.301 . . . . 0.0 111.026 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.8 tt -56.31 -52.93 62.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 112.014 -178.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -64.05 -25.4 68.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.766 0.317 . . . . 0.0 111.452 -179.245 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.553 ' HG2' ' HB3' ' A' ' 11' ' ' CYS . 4.5 tp-100 -65.99 -37.82 86.93 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.209 0.528 . . . . 0.0 110.016 179.118 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.638 ' HB3' HD23 ' B' ' 15' ' ' LEU . 70.7 mt -72.92 -29.81 63.41 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.428 -0.806 . . . . 0.0 111.519 -179.483 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.41 ' O ' ' HB2' ' A' ' 20' ' ' CYS . 76.7 tt0 -60.46 -23.65 64.62 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-O 120.967 0.413 . . . . 0.0 111.265 -179.557 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 74.4 m-80 -64.71 -16.38 62.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.333 179.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -106.57 13.45 28.27 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.055 0.455 . . . . 0.0 111.171 -178.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 17' ' ' GLU . 1.1 m -85.12 160.53 19.93 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.392 179.689 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.246 0.872 0 CA-C-O 118.321 -0.847 . . . . 0.0 109.476 179.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 56.7 t80 . . . . . 0 N--CA 1.481 1.093 0 CA-C-O 120.559 0.219 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.415 ' O ' ' HA ' ' I' ' 9' ' ' SER . 33.5 m 46.0 -139.73 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 C-N-CA 123.949 0.9 . . . . 0.0 112.365 -179.132 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . 0.801 ' HB3' HD13 ' I' ' 10' ' ' ILE . 14.8 t-20 -160.22 169.47 23.17 Favored 'General case' 0 C--O 1.237 0.437 0 O-C-N 122.234 -0.291 . . . . 0.0 111.018 -177.547 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -46.26 -36.74 6.45 Favored 'General case' 0 N--CA 1.463 0.198 0 C-N-CA 124.374 1.07 . . . . 0.0 110.827 177.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . 0.567 ' CE1' ' HA ' ' D' ' 17' ' ' LEU . 80.6 t60 -57.79 -17.54 16.47 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 114.754 -1.112 . . . . 0.0 112.914 -179.42 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.693 HD21 ' H4 ' ' I' ' 22' ' ' IPH . 12.9 mt -117.38 -47.92 2.63 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . 0.411 ' O ' ' HG ' ' B' ' 11' ' ' LEU . 47.5 t -62.04 -43.38 98.97 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.785 0.326 . . . . 0.0 110.846 -179.013 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.64 -29.67 74.42 Favored Glycine 0 C--N 1.332 0.329 0 C-N-CA 121.018 -0.611 . . . . 0.0 112.544 179.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . 0.468 ' HB3' ' HG2' ' D' ' 13' ' ' GLU . 5.1 m -66.65 -4.22 8.28 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 122.519 0.328 . . . . 0.0 111.705 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -123.03 -14.68 7.53 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.94 -0.304 . . . . 0.0 111.567 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.494 ' CD2' ' H3 ' ' A' ' 22' ' ' IPH . 30.7 mt -72.97 -17.9 61.42 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 177.756 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.988 HG21 HG21 ' D' ' 12' ' ' VAL . 6.3 m -66.46 -39.03 83.01 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 CA-C-N 114.537 -1.211 . . . . 0.0 110.232 178.127 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.489 ' HG2' ' HB3' ' D' ' 9' ' ' SER . 25.8 mt-10 -61.0 -34.69 75.2 Favored 'General case' 0 CA--C 1.52 -0.209 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 179.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.37 -50.28 68.32 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.206 -0.907 . . . . 0.0 109.957 178.425 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.638 HD23 ' HB3' ' A' ' 16' ' ' LEU . 42.8 mt -61.65 -43.55 98.65 Favored 'General case' 0 C--O 1.226 -0.183 0 CA-C-O 121.521 0.676 . . . . 0.0 109.54 178.635 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . 0.559 ' CD2' ' HE2' ' B' ' 24' ' ' PHE . 0.6 OUTLIER -57.15 -48.02 79.74 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.499 -1.228 . . . . 0.0 111.667 -179.125 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.569 ' HA ' ' CE1' ' D' ' 5' ' ' HIS . 1.9 mm? -59.23 -42.6 91.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.944 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 46.9 t -75.61 -32.3 24.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.703 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . 0.436 ' HB2' ' O ' ' B' ' 15' ' ' LEU . 0.1 OUTLIER -85.5 4.2 36.86 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -178.642 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.96 -114.34 6.27 Favored Glycine 0 CA--C 1.517 0.191 0 C-N-CA 121.115 -0.564 . . . . 0.0 112.754 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -124.81 22.31 8.16 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.981 0.42 . . . . 0.0 110.506 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 36.8 ttm105 -80.22 -43.37 21.57 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.187 0.518 . . . . 0.0 110.691 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 110.27 170.32 19.8 Favored Glycine 0 N--CA 1.446 -0.676 0 N-CA-C 110.59 -1.004 . . . . 0.0 110.59 -178.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . 0.636 ' HZ ' ' HB ' ' B' ' 12' ' ' VAL . 51.0 p90 -153.46 -177.38 6.31 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.294 0.568 . . . . 0.0 110.866 -179.491 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 7.2 p90 -124.2 139.44 53.92 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 178.382 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.762 ' HE1' HD13 ' A' ' 2' ' ' ILE . 16.7 t80 -132.5 87.55 2.43 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 119.632 -0.827 . . . . 0.0 111.818 -178.608 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 9.5 m -116.66 83.67 14.23 Favored Pre-proline 0 C--N 1.315 -0.909 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 177.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . 0.405 ' HB2' ' CG2' ' A' ' 3' ' ' VAL . 72.3 Cg_endo -78.76 -4.31 13.94 Favored 'Trans proline' 0 N--CA 1.459 -0.54 0 C-N-CA 122.89 2.393 . . . . 0.0 112.946 -177.761 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 55.5 tttm -61.7 105.32 0.53 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.038 179.27 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 10.7 m . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.837 -0.601 . . . . 0.0 109.809 -179.287 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.734 0 N-CA-C 111.609 -0.596 . . . . 0.0 111.609 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 2' ' ' ILE . . . . . 0.761 HD13 ' HE1' ' D' ' 26' ' ' TYR . 10.8 tt -169.95 -26.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 120.715 0.293 . . . . 0.0 110.609 179.764 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 3' ' ' VAL . . . . . 0.414 ' CG2' ' HB2' ' D' ' 28' ' ' PRO . 41.5 t -59.74 -75.31 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.226 -0.171 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.135 -179.593 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -59.39 -33.01 70.69 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.2 0.524 . . . . 0.0 110.799 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 5' ' ' GLN . . . . . 0.427 ' HG2' ' SG ' ' C' ' 11' ' ' CYS . 33.9 tt0 -62.15 -47.58 83.88 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.511 -0.768 . . . . 0.0 112.921 -179.288 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 6' ' ' CYS . . . . . 0.403 ' HB3' ' H2 ' ' C' ' 22' ' ' IPH . 85.9 m -101.36 -27.51 13.12 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 113.665 0.987 . . . . 0.0 113.665 -177.195 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 7' ' ' CYS . . . . . . . . . . . . . 11.1 t -77.58 -1.39 30.51 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.866 -0.334 . . . . 0.0 111.209 -179.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 13.7 t -84.03 -42.77 15.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.796 -0.184 . . . . 0.0 111.319 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 9' ' ' SER . . . . . 0.415 ' HA ' ' O ' ' L' ' 2' ' ' VAL . 13.1 p -165.01 26.95 0.06 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.629 0.252 . . . . 0.0 111.677 -179.754 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . 0.803 HD13 ' HB3' ' L' ' 3' ' ' ASN . 1.7 mp 69.28 134.4 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 178.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 11' ' ' CYS . . . . . 0.552 ' HB3' ' HG2' ' C' ' 15' ' ' GLN . 97.4 m -92.05 159.0 15.92 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.831 -1.077 . . . . 0.0 109.74 178.427 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 49.3 m -74.28 167.49 21.52 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.654 0.264 . . . . 0.0 111.04 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 8.7 tt -55.98 -51.95 65.89 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.213 -0.449 . . . . 0.0 112.069 -178.478 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -65.2 -24.36 67.34 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.793 0.294 . . . . 0.0 111.793 -179.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . 0.552 ' HG2' ' HB3' ' C' ' 11' ' ' CYS . 4.4 tp-100 -67.16 -38.55 85.65 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.17 0.509 . . . . 0.0 109.806 179.167 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 16' ' ' LEU . . . . . 0.641 ' HB3' HD23 ' D' ' 15' ' ' LEU . 69.2 mt -71.99 -29.71 64.51 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.545 -179.677 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -61.13 -21.62 63.91 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.433 -179.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 75.0 m-80 -68.01 -12.72 61.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.85 0.357 . . . . 0.0 111.301 179.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 19' ' ' TYR . . . . . 0.42 ' HB2' HD22 ' D' ' 15' ' ' LEU . 51.6 m-85 -109.24 13.26 24.44 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.166 0.508 . . . . 0.0 110.868 -179.197 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 1.1 m -85.67 159.11 19.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.198 179.547 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.268 -0.873 . . . . 0.0 109.328 179.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 57.4 t80 . . . . . 0 N--CA 1.482 1.132 0 CA-C-O 120.508 0.194 . . . . 0.0 110.568 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 2' ' ' VAL . . . . . 0.438 ' O ' ' HA ' ' G' ' 9' ' ' SER . 34.0 m 46.67 -139.4 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 C-N-CA 124.051 0.94 . . . . 0.0 112.623 -179.11 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 3' ' ' ASN . . . . . 0.815 ' HB3' HD13 ' G' ' 10' ' ' ILE . 14.8 t-20 -160.95 168.94 23.59 Favored 'General case' 0 C--N 1.328 -0.356 0 O-C-N 122.232 -0.293 . . . . 0.0 110.881 -177.364 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -45.71 -37.2 5.59 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 124.243 1.017 . . . . 0.0 110.968 178.031 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 5' ' ' HIS . . . . . 0.569 ' CE1' ' HA ' ' B' ' 17' ' ' LEU . 79.4 t60 -57.21 -18.47 16.01 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 114.791 -1.095 . . . . 0.0 112.905 -179.358 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 6' ' ' LEU . . . . . 0.7 HD21 ' H4 ' ' G' ' 22' ' ' IPH . 13.0 mt -116.32 -47.92 2.73 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 7' ' ' CYS . . . . . . . . . . . . . 49.6 t -62.1 -43.58 98.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.0 -179.05 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.49 -29.54 73.76 Favored Glycine 0 C--N 1.331 0.261 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.537 179.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 9' ' ' SER . . . . . 0.489 ' HB3' ' HG2' ' B' ' 13' ' ' GLU . 4.9 m -66.54 -4.21 8.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.769 0.319 . . . . 0.0 111.639 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 10' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -122.93 -15.11 7.47 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 11' ' ' LEU . . . . . 0.491 ' CD2' ' H3 ' ' C' ' 22' ' ' IPH . 27.9 mt -72.92 -17.98 61.44 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 107.813 -1.18 . . . . 0.0 107.813 177.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . 0.988 HG21 HG21 ' B' ' 12' ' ' VAL . 6.3 m -66.45 -38.77 82.45 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 CA-C-N 114.468 -1.242 . . . . 0.0 110.383 178.285 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 13' ' ' GLU . . . . . 0.468 ' HG2' ' HB3' ' B' ' 9' ' ' SER . 25.5 mt-10 -61.22 -34.61 75.39 Favored 'General case' 0 CA--C 1.519 -0.221 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 179.58 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.04 -50.45 68.39 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.996 178.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 15' ' ' LEU . . . . . 0.641 HD23 ' HB3' ' C' ' 16' ' ' LEU . 47.7 mt -61.37 -43.71 98.4 Favored 'General case' 0 C--O 1.226 -0.18 0 CA-C-O 121.68 0.752 . . . . 0.0 109.537 178.592 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 16' ' ' TYR . . . . . 0.553 ' CD2' ' HE2' ' D' ' 24' ' ' PHE . 0.6 OUTLIER -57.22 -47.62 80.84 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 114.273 -1.331 . . . . 0.0 111.723 -179.162 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . 0.567 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 1.9 mm? -59.77 -42.2 92.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.049 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 47.1 t -75.71 -33.44 26.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.51 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 19' ' ' CYS . . . . . 0.424 ' HB2' ' O ' ' D' ' 15' ' ' LEU . 0.1 OUTLIER -83.95 2.63 37.83 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -178.518 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.66 -113.41 5.69 Favored Glycine 0 CA--C 1.519 0.282 0 C-N-CA 120.864 -0.684 . . . . 0.0 113.021 179.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 -126.17 21.6 7.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.191 0.52 . . . . 0.0 110.445 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 22' ' ' ARG . . . . . . . . . . . . . 35.2 ttm105 -79.51 -42.81 24.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.403 0.62 . . . . 0.0 110.783 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 23' ' ' GLY . . . . . . . . . . . . . . . 109.57 170.86 20.4 Favored Glycine 0 N--CA 1.445 -0.766 0 N-CA-C 110.726 -0.949 . . . . 0.0 110.726 -178.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 24' ' ' PHE . . . . . 0.634 ' HZ ' ' HB ' ' D' ' 12' ' ' VAL . 51.2 p90 -154.44 -178.24 7.01 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.348 0.594 . . . . 0.0 111.126 -179.684 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 25' ' ' PHE . . . . . . . . . . . . . 7.6 p90 -122.99 140.62 52.84 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 178.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 26' ' ' TYR . . . . . 0.761 ' HE1' HD13 ' C' ' 2' ' ' ILE . 16.4 t80 -133.62 86.61 2.3 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 119.753 -0.779 . . . . 0.0 112.0 -178.663 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 27' ' ' THR . . . . . . . . . . . . . 8.8 m -115.53 83.9 11.54 Favored Pre-proline 0 C--N 1.316 -0.88 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 177.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 28' ' ' PRO . . . . . 0.414 ' HB2' ' CG2' ' C' ' 3' ' ' VAL . 90.1 Cg_endo -79.65 -2.28 12.09 Favored 'Trans proline' 0 N--CA 1.46 -0.494 0 C-N-CA 122.888 2.392 . . . . 0.0 112.65 -177.726 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 57.0 tttm -64.06 103.12 0.56 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.147 179.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 6.3 m . . . . . 0 C--O 1.246 0.913 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.431 -179.667 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.571 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' E' E ' 2' ' ' ILE . . . . . 0.753 HD13 ' HE1' ' F' ' 26' ' ' TYR . 11.4 tt -168.88 -26.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 120.835 0.35 . . . . 0.0 110.676 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 3' ' ' VAL . . . . . 0.425 ' CG2' ' HB2' ' F' ' 28' ' ' PRO . 40.2 t -59.25 -76.66 0.03 OUTLIER 'Isoleucine or valine' 0 C--O 1.225 -0.218 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.135 -179.711 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 4' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -57.54 -35.25 70.06 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.23 0.538 . . . . 0.0 110.633 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 5' ' ' GLN . . . . . 0.448 ' HG2' ' SG ' ' E' ' 11' ' ' CYS . 33.4 tt0 -60.08 -47.72 84.71 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 113.337 0.865 . . . . 0.0 113.337 -179.518 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 6' ' ' CYS . . . . . . . . . . . . . 81.3 m -101.54 -27.07 13.31 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 -177.166 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 7' ' ' CYS . . . . . . . . . . . . . 12.1 t -78.26 -1.75 34.52 Favored 'General case' 0 C--N 1.322 -0.623 0 O-C-N 122.101 -0.375 . . . . 0.0 111.261 -178.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 15.1 t -83.72 -43.29 15.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.074 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 9' ' ' SER . . . . . 0.425 ' HA ' ' O ' ' J' ' 2' ' ' VAL . 7.6 p -164.19 26.28 0.07 Allowed 'General case' 0 C--O 1.233 0.197 0 CA-C-O 120.682 0.277 . . . . 0.0 111.523 -179.605 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 10' ' ' ILE . . . . . 0.833 HD13 ' HB3' ' J' ' 3' ' ' ASN . 1.7 mp 70.17 136.7 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 CA-C-O 121.737 0.78 . . . . 0.0 112.736 179.27 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 11' ' ' CYS . . . . . 0.573 ' HB3' ' HG2' ' E' ' 15' ' ' GLN . 96.6 m -95.01 157.47 15.88 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.044 -0.98 . . . . 0.0 109.525 178.451 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 12' ' ' SER . . . . . . . . . . . . . 32.7 m -72.28 168.27 18.67 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.629 0.252 . . . . 0.0 111.067 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 8.7 tt -56.74 -52.8 63.57 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -178.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -64.02 -25.7 68.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.676 0.274 . . . . 0.0 111.365 -179.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . 0.573 ' HG2' ' HB3' ' E' ' 11' ' ' CYS . 4.8 tp-100 -65.25 -38.75 91.32 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.153 0.501 . . . . 0.0 109.903 179.076 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 16' ' ' LEU . . . . . 0.626 ' HB3' HD23 ' F' ' 15' ' ' LEU . 71.8 mt -72.17 -29.72 64.28 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.576 -179.647 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 17' ' ' GLU . . . . . . . . . . . . . 76.9 tt0 -60.77 -23.53 65.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.967 0.413 . . . . 0.0 111.35 -179.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 18' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -65.93 -13.23 59.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.426 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 19' ' ' TYR . . . . . 0.407 ' HB2' HD22 ' F' ' 15' ' ' LEU . 50.6 m-85 -109.2 13.91 24.14 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.131 0.491 . . . . 0.0 110.851 -179.167 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 20' ' ' CYS . . . . . . . . . . . . . 1.1 m -86.02 159.95 19.45 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.45 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.246 0.891 0 CA-C-O 118.169 -0.92 . . . . 0.0 109.616 179.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 1' ' ' PHE . . . . . . . . . . . . . 56.9 t80 . . . . . 0 N--CA 1.483 1.176 0 CA-C-O 120.196 0.046 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' F' F ' 2' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 9' ' ' SER . 34.6 m 47.09 -139.02 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 C-N-CA 124.072 0.949 . . . . 0.0 112.4 -178.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' F' F ' 3' ' ' ASN . . . . . 0.861 ' HB3' HD13 ' A' ' 10' ' ' ILE . 13.8 t-20 -161.13 169.23 22.77 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 122.228 -0.295 . . . . 0.0 110.848 -177.412 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' F' F ' 4' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -46.43 -36.39 6.5 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 124.103 0.961 . . . . 0.0 111.139 177.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 5' ' ' HIS . . . . . 0.554 ' CE1' ' HA ' ' H' ' 17' ' ' LEU . 80.9 t60 -58.29 -16.92 16.11 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 115.01 -0.995 . . . . 0.0 112.902 -179.416 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' F' F ' 6' ' ' LEU . . . . . 0.682 HD21 ' H4 ' ' A' ' 22' ' ' IPH . 12.7 mt -117.65 -48.0 2.6 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 122.217 -0.302 . . . . 0.0 111.793 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' F' F ' 7' ' ' CYS . . . . . 0.403 ' O ' ' HG ' ' F' ' 11' ' ' LEU . 47.1 t -61.74 -44.14 97.49 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.729 0.299 . . . . 0.0 110.905 -179.251 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' F' F ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.08 -30.0 74.36 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.973 -0.632 . . . . 0.0 112.489 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 9' ' ' SER . . . . . 0.5 ' HB3' ' HG2' ' H' ' 13' ' ' GLU . 5.1 m -66.29 -4.64 8.28 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 122.481 0.313 . . . . 0.0 111.704 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' F' F ' 10' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -122.52 -15.22 7.62 Favored 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 111.644 0.239 . . . . 0.0 111.644 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 11' ' ' LEU . . . . . 0.484 ' CD2' ' H3 ' ' E' ' 22' ' ' IPH . 25.8 mt -72.66 -18.15 61.59 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 177.693 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' F' F ' 12' ' ' VAL . . . . . 1.014 HG21 HG21 ' H' ' 12' ' ' VAL . 6.8 m -66.1 -38.73 82.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 CA-C-N 114.735 -1.12 . . . . 0.0 110.566 178.169 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' F' F ' 13' ' ' GLU . . . . . 0.478 ' HG2' ' HB3' ' H' ' 9' ' ' SER . 25.8 mt-10 -61.23 -34.99 76.02 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 179.633 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' F' F ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.7 -51.02 66.89 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.071 178.239 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 15' ' ' LEU . . . . . 0.626 HD23 ' HB3' ' E' ' 16' ' ' LEU . 44.2 mt -60.74 -43.6 97.72 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 121.799 0.809 . . . . 0.0 109.751 178.487 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' F' F ' 16' ' ' TYR . . . . . 0.563 ' CD2' ' HE2' ' F' ' 24' ' ' PHE . 0.6 OUTLIER -57.36 -48.28 79.44 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.178 -1.373 . . . . 0.0 111.71 -179.143 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' F' F ' 17' ' ' LEU . . . . . 0.542 ' HA ' ' CE1' ' H' ' 5' ' ' HIS . 1.9 mm? -58.73 -42.92 89.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.987 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 47.4 t -74.89 -34.85 34.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.612 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 19' ' ' CYS . . . . . 0.426 ' HB2' ' O ' ' F' ' 15' ' ' LEU . 0.1 OUTLIER -83.31 4.29 27.82 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -178.561 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' F' F ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.99 -114.76 6.7 Favored Glycine 0 CA--C 1.519 0.297 0 C-N-CA 120.915 -0.66 . . . . 0.0 112.729 179.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 21' ' ' GLU . . . . . . . . . . . . . 79.9 mt-10 -124.8 22.85 8.08 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.117 0.484 . . . . 0.0 110.745 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 22' ' ' ARG . . . . . . . . . . . . . 35.6 ttm105 -80.96 -41.66 22.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.263 0.554 . . . . 0.0 110.719 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 23' ' ' GLY . . . . . . . . . . . . . . . 108.75 170.8 21.01 Favored Glycine 0 N--CA 1.444 -0.819 0 N-CA-C 110.741 -0.944 . . . . 0.0 110.741 -178.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 24' ' ' PHE . . . . . 0.65 ' HZ ' ' HB ' ' F' ' 12' ' ' VAL . 51.1 p90 -154.13 -177.79 6.67 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.226 0.536 . . . . 0.0 110.974 -179.525 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' F' F ' 25' ' ' PHE . . . . . . . . . . . . . 7.7 p90 -123.33 140.79 52.65 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 178.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 26' ' ' TYR . . . . . 0.753 ' HE1' HD13 ' E' ' 2' ' ' ILE . 17.2 t80 -133.96 85.8 2.23 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 119.519 -0.873 . . . . 0.0 111.977 -178.703 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' F' F ' 27' ' ' THR . . . . . . . . . . . . . 9.8 m -114.62 84.15 9.7 Favored Pre-proline 0 C--N 1.316 -0.85 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 177.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 28' ' ' PRO . . . . . 0.425 ' HB2' ' CG2' ' E' ' 3' ' ' VAL . 97.8 Cg_endo -79.94 -1.71 11.61 Favored 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 122.782 2.322 . . . . 0.0 112.823 -177.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' F' F ' 29' ' ' LYS . . . . . . . . . . . . . 55.6 tttm -63.96 106.49 1.04 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.831 179.23 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 30' ' ' THR . . . . . . . . . . . . . 13.2 m . . . . . 0 C--O 1.248 0.98 0 CA-C-O 118.341 -0.838 . . . . 0.0 109.857 -179.313 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' G' G ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.894 0 N-CA-C 111.93 -0.468 . . . . 0.0 111.93 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' G' G ' 2' ' ' ILE . . . . . 0.758 HD13 ' HE1' ' H' ' 26' ' ' TYR . 11.5 tt -168.64 -27.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 120.743 0.306 . . . . 0.0 110.765 179.498 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' G' G ' 3' ' ' VAL . . . . . 0.424 ' CG2' ' HG3' ' H' ' 4' ' ' GLN . 40.8 t -59.2 -75.87 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.519 -0.213 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.081 -179.521 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' G' G ' 4' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -58.22 -34.47 70.45 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.295 0.569 . . . . 0.0 110.93 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 5' ' ' GLN . . . . . 0.432 ' HG2' ' SG ' ' G' ' 11' ' ' CYS . 32.9 tt0 -60.99 -48.35 82.25 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.467 -0.788 . . . . 0.0 112.912 -179.436 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' G' G ' 6' ' ' CYS . . . . . . . . . . . . . 83.0 m -100.43 -26.97 13.68 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 -177.222 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 7' ' ' CYS . . . . . . . . . . . . . 11.0 t -78.37 -2.32 37.68 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.18 -179.062 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 8' ' ' THR . . . . . . . . . . . . . 11.5 t -82.39 -43.73 16.99 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 121.208 -0.197 . . . . 0.0 111.153 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 9' ' ' SER . . . . . 0.438 ' HA ' ' O ' ' D' ' 2' ' ' VAL . 13.4 p -164.11 26.09 0.07 Allowed 'General case' 0 CA--C 1.53 0.206 0 CA-C-O 120.684 0.278 . . . . 0.0 111.733 -179.41 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' G' G ' 10' ' ' ILE . . . . . 0.815 HD13 ' HB3' ' D' ' 3' ' ' ASN . 1.7 mp 70.28 134.95 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 CA-C-O 121.785 0.802 . . . . 0.0 113.102 179.145 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' G' G ' 11' ' ' CYS . . . . . 0.605 ' HB3' ' HG2' ' G' ' 15' ' ' GLN . 99.8 m -92.75 159.55 15.36 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.698 178.535 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' G' G ' 12' ' ' SER . . . . . . . . . . . . . 50.5 m -74.67 168.7 19.3 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.715 0.293 . . . . 0.0 111.017 179.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 13' ' ' LEU . . . . . . . . . . . . . 8.6 tt -56.2 -54.09 49.37 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.78 -178.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -62.48 -26.02 68.31 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -179.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 15' ' ' GLN . . . . . 0.605 ' HG2' ' HB3' ' G' ' 11' ' ' CYS . 3.4 tp-100 -65.83 -38.56 89.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.3 0.571 . . . . 0.0 109.85 179.523 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' G' G ' 16' ' ' LEU . . . . . 0.648 ' HB3' HD23 ' H' ' 15' ' ' LEU . 68.5 mt -72.4 -29.89 64.15 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.241 -0.891 . . . . 0.0 111.425 -179.515 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' G' G ' 17' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -60.7 -22.55 64.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.951 0.405 . . . . 0.0 111.3 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 18' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -67.05 -13.21 61.7 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.494 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 19' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 -109.13 13.25 24.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.155 0.502 . . . . 0.0 110.605 -179.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 20' ' ' CYS . . . . . . . . . . . . . 1.1 m -85.78 157.82 20.15 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.26 179.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 21' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.252 -0.88 . . . . 0.0 109.436 179.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' H' H ' 1' ' ' PHE . . . . . . . . . . . . . 56.5 t80 . . . . . 0 N--CA 1.479 1.016 0 CA-C-O 120.383 0.135 . . . . 0.0 110.79 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' H' H ' 2' ' ' VAL . . . . . . . . . . . . . 33.5 m 46.37 -140.69 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 C-N-CA 124.13 0.972 . . . . 0.0 112.494 -178.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' H' H ' 3' ' ' ASN . . . . . 0.827 ' HB3' HD13 ' K' ' 10' ' ' ILE . 14.5 t-20 -159.68 169.36 23.88 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 122.207 -0.308 . . . . 0.0 110.942 -177.335 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' H' H ' 4' ' ' GLN . . . . . 0.424 ' HG3' ' CG2' ' G' ' 3' ' ' VAL . 4.3 tt0 -46.23 -36.64 6.3 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 124.192 0.997 . . . . 0.0 110.961 178.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' H' H ' 5' ' ' HIS . . . . . 0.542 ' CE1' ' HA ' ' F' ' 17' ' ' LEU . 79.5 t60 -57.76 -17.86 18.11 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 114.781 -1.1 . . . . 0.0 112.926 -179.509 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' H' H ' 6' ' ' LEU . . . . . 0.684 HD21 ' H4 ' ' K' ' 22' ' ' IPH . 12.6 mt -116.81 -47.46 2.7 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 179.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' H' H ' 7' ' ' CYS . . . . . . . . . . . . . 49.5 t -62.47 -43.58 98.47 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.687 0.28 . . . . 0.0 110.932 -179.04 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' H' H ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.57 -29.28 73.12 Favored Glycine 0 C--N 1.332 0.333 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.527 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' H' H ' 9' ' ' SER . . . . . 0.478 ' HB3' ' HG2' ' F' ' 13' ' ' GLU . 4.4 m -66.65 -4.57 9.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.738 0.304 . . . . 0.0 111.725 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' H' H ' 10' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -122.45 -15.0 7.71 Favored 'General case' 0 CA--C 1.514 -0.412 0 C-N-CA 120.98 -0.288 . . . . 0.0 111.683 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' H' H ' 11' ' ' LEU . . . . . 0.491 ' CD2' ' H3 ' ' G' ' 22' ' ' IPH . 28.4 mt -72.78 -17.99 61.53 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 177.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' H' H ' 12' ' ' VAL . . . . . 1.014 HG21 HG21 ' F' ' 12' ' ' VAL . 6.6 m -66.32 -39.37 84.02 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.403 0 CA-C-N 114.612 -1.177 . . . . 0.0 110.337 178.193 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' H' H ' 13' ' ' GLU . . . . . 0.5 ' HG2' ' HB3' ' F' ' 9' ' ' SER . 25.8 mt-10 -60.56 -35.07 75.15 Favored 'General case' 0 CA--C 1.519 -0.215 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 179.694 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' H' H ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.71 -51.09 66.56 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.274 -0.875 . . . . 0.0 110.042 178.299 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' H' H ' 15' ' ' LEU . . . . . 0.648 HD23 ' HB3' ' G' ' 16' ' ' LEU . 45.0 mt -60.87 -43.55 98.24 Favored 'General case' 0 C--O 1.226 -0.156 0 CA-C-O 121.708 0.766 . . . . 0.0 109.63 178.581 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' H' H ' 16' ' ' TYR . . . . . 0.562 ' CD2' ' HE2' ' H' ' 24' ' ' PHE . 0.6 OUTLIER -57.67 -47.62 81.78 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.386 -1.279 . . . . 0.0 111.702 -179.174 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' H' H ' 17' ' ' LEU . . . . . 0.554 ' HA ' ' CE1' ' F' ' 5' ' ' HIS . 1.9 mm? -59.43 -42.27 91.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.017 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 44.0 t -75.52 -33.67 27.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.394 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' H' H ' 19' ' ' CYS . . . . . 0.442 ' HB2' ' O ' ' H' ' 15' ' ' LEU . 0.1 OUTLIER -84.49 4.24 32.71 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 112.597 0.591 . . . . 0.0 112.597 -178.469 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' H' H ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.72 -115.05 6.95 Favored Glycine 0 CA--C 1.52 0.377 0 C-N-CA 120.978 -0.63 . . . . 0.0 112.874 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' H' H ' 21' ' ' GLU . . . . . . . . . . . . . 83.4 mt-10 -124.67 23.42 8.04 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.04 0.448 . . . . 0.0 110.443 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' H' H ' 22' ' ' ARG . . . . . . . . . . . . . 36.1 ttm105 -81.31 -43.16 19.52 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.238 0.542 . . . . 0.0 110.69 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' H' H ' 23' ' ' GLY . . . . . . . . . . . . . . . 109.91 171.0 20.15 Favored Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -178.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' H' H ' 24' ' ' PHE . . . . . 0.621 ' HZ ' ' HB ' ' H' ' 12' ' ' VAL . 51.1 p90 -154.35 -177.76 6.67 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.284 0.564 . . . . 0.0 110.922 -179.419 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' H' H ' 25' ' ' PHE . . . . . . . . . . . . . 7.3 p90 -123.6 140.23 53.21 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 178.259 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' H' H ' 26' ' ' TYR . . . . . 0.758 ' HE1' HD13 ' G' ' 2' ' ' ILE . 17.8 t80 -133.43 85.96 2.25 Favored 'General case' 0 N--CA 1.446 -0.639 0 C-N-CA 119.711 -0.796 . . . . 0.0 112.031 -178.706 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' H' H ' 27' ' ' THR . . . . . . . . . . . . . 11.4 m -114.67 84.58 10.27 Favored Pre-proline 0 C--N 1.318 -0.788 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 177.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' H' H ' 28' ' ' PRO . . . . . 0.413 ' HB2' ' CG2' ' G' ' 3' ' ' VAL . 85.7 Cg_endo -79.81 -3.28 12.72 Favored 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 122.659 2.24 . . . . 0.0 112.953 -177.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' H' H ' 29' ' ' LYS . . . . . . . . . . . . . 55.6 tttm -62.23 105.19 0.57 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.257 179.392 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' H' H ' 30' ' ' THR . . . . . . . . . . . . . 8.8 m . . . . . 0 C--O 1.256 1.413 0 CA-C-O 118.632 -0.699 . . . . 0.0 109.682 -179.553 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' I' I ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.745 0 N-CA-C 112.177 -0.369 . . . . 0.0 112.177 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' I' I ' 2' ' ' ILE . . . . . 0.772 HD13 ' HE1' ' J' ' 26' ' ' TYR . 11.6 tt -166.58 -26.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-O 120.88 0.371 . . . . 0.0 111.115 179.52 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' I' I ' 3' ' ' VAL . . . . . 0.402 ' CG2' ' HB2' ' J' ' 28' ' ' PRO . 38.3 t -59.01 -76.27 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.224 -0.26 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.214 -179.6 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' I' I ' 4' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -57.77 -33.96 69.08 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.372 0.606 . . . . 0.0 111.201 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' I' I ' 5' ' ' GLN . . . . . 0.431 ' HG2' ' SG ' ' I' ' 11' ' ' CYS . 33.0 tt0 -62.18 -47.15 85.75 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.414 -0.812 . . . . 0.0 113.01 -179.55 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' I' I ' 6' ' ' CYS . . . . . 0.401 ' HB3' ' H2 ' ' I' ' 22' ' ' IPH . 81.5 m -101.55 -26.73 13.44 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 113.603 0.964 . . . . 0.0 113.603 -177.33 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' I' I ' 7' ' ' CYS . . . . . . . . . . . . . 11.4 t -78.47 -2.26 37.66 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 122.085 -0.385 . . . . 0.0 111.154 -179.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' I' I ' 8' ' ' THR . . . . . . . . . . . . . 13.3 t -82.95 -43.53 16.35 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 122.382 -0.199 . . . . 0.0 111.081 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' I' I ' 9' ' ' SER . . . . . 0.415 ' HA ' ' O ' ' B' ' 2' ' ' VAL . 23.1 p -164.01 26.14 0.07 Allowed 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 111.608 0.225 . . . . 0.0 111.608 -179.723 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' I' I ' 10' ' ' ILE . . . . . 0.801 HD13 ' HB3' ' B' ' 3' ' ' ASN . 1.7 mp 70.63 136.24 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.574 0 CA-C-O 121.987 0.898 . . . . 0.0 112.869 179.007 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' I' I ' 11' ' ' CYS . . . . . 0.582 ' HB3' ' HG2' ' I' ' 15' ' ' GLN . 97.1 m -95.06 157.5 15.87 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.026 -0.988 . . . . 0.0 109.51 178.649 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' I' I ' 12' ' ' SER . . . . . . . . . . . . . 50.7 m -72.55 166.82 21.93 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.882 0.372 . . . . 0.0 111.027 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' I' I ' 13' ' ' LEU . . . . . . . . . . . . . 8.5 tt -55.16 -53.05 60.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.92 -178.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -63.97 -24.59 67.78 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.642 0.238 . . . . 0.0 111.642 -179.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' I' I ' 15' ' ' GLN . . . . . 0.582 ' HG2' ' HB3' ' I' ' 11' ' ' CYS . 3.8 tp-100 -67.12 -38.05 84.94 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.17 0.509 . . . . 0.0 109.941 179.208 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' I' I ' 16' ' ' LEU . . . . . 0.666 ' HB3' HD23 ' J' ' 15' ' ' LEU . 65.7 mt -72.7 -29.57 63.5 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.432 -179.679 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' I' I ' 17' ' ' GLU . . . . . . . . . . . . . 77.4 tt0 -61.05 -21.84 64.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.779 0.323 . . . . 0.0 111.322 -179.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' I' I ' 18' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -67.36 -13.58 62.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.749 0.309 . . . . 0.0 111.279 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' I' I ' 19' ' ' TYR . . . . . 0.43 ' HB2' HD22 ' J' ' 15' ' ' LEU . 52.1 m-85 -108.72 13.98 24.7 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.119 0.485 . . . . 0.0 110.745 -179.084 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' I' I ' 20' ' ' CYS . . . . . . . . . . . . . 1.1 m -86.89 157.43 19.53 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.306 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' I' I ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.247 0.925 0 CA-C-O 118.379 -0.82 . . . . 0.0 109.465 179.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' J' J ' 1' ' ' PHE . . . . . . . . . . . . . 55.7 t80 . . . . . 0 N--CA 1.482 1.146 0 CA-C-O 120.378 0.132 . . . . 0.0 110.665 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' J' J ' 2' ' ' VAL . . . . . 0.425 ' O ' ' HA ' ' E' ' 9' ' ' SER . 33.9 m 47.08 -139.33 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 C-N-CA 124.12 0.968 . . . . 0.0 112.484 -178.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' J' J ' 3' ' ' ASN . . . . . 0.833 ' HB3' HD13 ' E' ' 10' ' ' ILE . 14.0 t-20 -161.71 168.67 22.87 Favored 'General case' 0 C--O 1.237 0.419 0 O-C-N 122.236 -0.29 . . . . 0.0 110.734 -177.373 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' J' J ' 4' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -45.59 -36.54 4.78 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 124.604 1.161 . . . . 0.0 111.092 177.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' J' J ' 5' ' ' HIS . . . . . 0.595 ' CE1' ' HA ' ' L' ' 17' ' ' LEU . 80.7 t60 -58.5 -17.5 21.74 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 114.796 -1.093 . . . . 0.0 112.861 -179.224 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' J' J ' 6' ' ' LEU . . . . . 0.682 HD21 ' H4 ' ' E' ' 22' ' ' IPH . 12.9 mt -116.92 -47.69 2.68 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' J' J ' 7' ' ' CYS . . . . . . . . . . . . . 47.9 t -62.41 -43.73 98.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.581 0.229 . . . . 0.0 110.872 -178.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' J' J ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.58 -29.48 73.74 Favored Glycine 0 C--N 1.33 0.234 0 C-N-CA 120.993 -0.623 . . . . 0.0 112.512 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' J' J ' 9' ' ' SER . . . . . 0.482 ' HB3' ' HG2' ' L' ' 13' ' ' GLU . 4.7 m -66.55 -4.39 8.42 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 122.362 0.265 . . . . 0.0 111.679 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' J' J ' 10' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -122.72 -15.0 7.6 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 121.036 -0.266 . . . . 0.0 111.662 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' J' J ' 11' ' ' LEU . . . . . 0.48 ' CD2' ' H3 ' ' I' ' 22' ' ' IPH . 27.4 mt -72.8 -17.74 61.54 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 177.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' J' J ' 12' ' ' VAL . . . . . 0.976 HG21 HG21 ' L' ' 12' ' ' VAL . 6.4 m -66.71 -38.78 82.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 CA-C-N 114.481 -1.236 . . . . 0.0 110.372 178.262 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' J' J ' 13' ' ' GLU . . . . . 0.486 ' HG2' ' HB3' ' L' ' 9' ' ' SER . 25.7 mt-10 -61.45 -34.42 75.39 Favored 'General case' 0 CA--C 1.52 -0.21 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 179.732 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' J' J ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.42 -50.47 67.43 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.984 178.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' J' J ' 15' ' ' LEU . . . . . 0.666 HD23 ' HB3' ' I' ' 16' ' ' LEU . 47.1 mt -61.2 -43.74 98.4 Favored 'General case' 0 C--O 1.225 -0.23 0 CA-C-O 121.817 0.818 . . . . 0.0 109.651 178.473 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' J' J ' 16' ' ' TYR . . . . . 0.557 ' CD2' ' HE2' ' J' ' 24' ' ' PHE . 0.7 OUTLIER -56.91 -48.19 78.82 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.209 -1.36 . . . . 0.0 111.811 -179.264 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' J' J ' 17' ' ' LEU . . . . . 0.569 ' HA ' ' CE1' ' L' ' 5' ' ' HIS . 1.9 mm? -59.69 -41.29 90.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.932 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 48.0 t -76.41 -33.61 23.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.344 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' J' J ' 19' ' ' CYS . . . . . 0.428 ' HB2' ' O ' ' J' ' 15' ' ' LEU . 0.1 OUTLIER -84.22 4.22 31.76 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 -178.649 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' J' J ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.84 -114.19 6.08 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.949 -0.644 . . . . 0.0 112.862 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' J' J ' 21' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -126.27 25.39 6.64 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.203 0.525 . . . . 0.0 110.358 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' J' J ' 22' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' J' ' 22' ' ' ARG . 34.4 ttm105 -83.36 -41.68 17.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.475 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' J' J ' 23' ' ' GLY . . . . . . . . . . . . . . . 108.94 171.04 20.88 Favored Glycine 0 N--CA 1.447 -0.602 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 -178.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' J' J ' 24' ' ' PHE . . . . . 0.642 ' HZ ' ' HB ' ' J' ' 12' ' ' VAL . 51.2 p90 -154.24 -177.6 6.55 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.203 0.525 . . . . 0.0 110.897 -179.6 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' J' J ' 25' ' ' PHE . . . . . . . . . . . . . 7.5 p90 -123.88 139.9 53.51 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 178.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' J' J ' 26' ' ' TYR . . . . . 0.772 ' HE1' HD13 ' I' ' 2' ' ' ILE . 17.1 t80 -133.12 86.47 2.31 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 119.683 -0.807 . . . . 0.0 112.084 -178.719 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' J' J ' 27' ' ' THR . . . . . . . . . . . . . 11.3 m -115.62 84.19 12.15 Favored Pre-proline 0 C--N 1.317 -0.846 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 177.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' J' J ' 28' ' ' PRO . . . . . 0.402 ' HB2' ' CG2' ' I' ' 3' ' ' VAL . 77.2 Cg_endo -79.43 -3.28 12.89 Favored 'Trans proline' 0 C--O 1.236 0.376 0 C-N-CA 122.902 2.402 . . . . 0.0 112.884 -177.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' J' J ' 29' ' ' LYS . . . . . . . . . . . . . 53.9 tttm -62.65 102.65 0.35 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.265 0.555 . . . . 0.0 110.168 179.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' J' J ' 30' ' ' THR . . . . . . . . . . . . . 7.6 m . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.481 -0.771 . . . . 0.0 109.705 -179.718 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.474 0 N-CA-C 111.78 -0.528 . . . . 0.0 111.78 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' K' K ' 2' ' ' ILE . . . . . 0.774 HD13 ' HE1' ' L' ' 26' ' ' TYR . 11.6 tt -167.18 -26.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 O-C-N 122.495 -0.415 . . . . 0.0 110.938 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' K' K ' 3' ' ' VAL . . . . . 0.409 ' CG2' ' HB2' ' L' ' 28' ' ' PRO . 40.8 t -59.0 -76.59 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.032 -179.677 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' K' K ' 4' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -57.76 -34.37 69.48 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.032 0.444 . . . . 0.0 110.849 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' K' K ' 5' ' ' GLN . . . . . 0.425 ' HG2' ' SG ' ' K' ' 11' ' ' CYS . 32.4 tt0 -61.67 -47.54 84.89 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 -179.374 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' K' K ' 6' ' ' CYS . . . . . . . . . . . . . 82.1 m -101.32 -26.98 13.43 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 113.548 0.944 . . . . 0.0 113.548 -177.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' K' K ' 7' ' ' CYS . . . . . . . . . . . . . 11.7 t -78.39 -1.73 34.88 Favored 'General case' 0 C--N 1.321 -0.664 0 O-C-N 121.879 -0.513 . . . . 0.0 111.274 -178.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' K' K ' 8' ' ' THR . . . . . . . . . . . . . 13.5 t -83.0 -44.44 15.24 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.631 -0.259 . . . . 0.0 110.979 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' K' K ' 9' ' ' SER . . . . . . . . . . . . . 11.9 p -163.3 26.18 0.09 Allowed 'General case' 0 C--O 1.232 0.173 0 CA-C-O 120.555 0.217 . . . . 0.0 111.509 -179.575 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' K' K ' 10' ' ' ILE . . . . . 0.827 HD13 ' HB3' ' H' ' 3' ' ' ASN . 1.7 mp 70.56 136.24 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 CA-C-O 121.86 0.838 . . . . 0.0 112.871 179.132 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' K' K ' 11' ' ' CYS . . . . . 0.588 ' HB3' ' HG2' ' K' ' 15' ' ' GLN . 98.4 m -94.69 157.58 15.89 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.087 -0.961 . . . . 0.0 109.592 178.452 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' K' K ' 12' ' ' SER . . . . . . . . . . . . . 46.9 m -71.89 168.01 18.83 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.72 0.295 . . . . 0.0 111.236 179.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' K' K ' 13' ' ' LEU . . . . . . . . . . . . . 8.5 tt -56.61 -52.92 63.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.851 -178.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -63.95 -25.08 67.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.647 0.26 . . . . 0.0 111.686 -179.279 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' K' K ' 15' ' ' GLN . . . . . 0.588 ' HG2' ' HB3' ' K' ' 11' ' ' CYS . 3.7 tp-100 -66.83 -38.13 85.84 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.217 0.532 . . . . 0.0 109.819 179.584 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' K' K ' 16' ' ' LEU . . . . . 0.673 ' HB3' HD23 ' L' ' 15' ' ' LEU . 67.5 mt -72.57 -29.55 63.63 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.363 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' K' K ' 17' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -61.21 -21.52 63.91 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 121.014 0.435 . . . . 0.0 111.542 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' K' K ' 18' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -67.47 -14.65 63.12 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.939 0.4 . . . . 0.0 111.207 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' K' K ' 19' ' ' TYR . . . . . 0.435 ' HB2' HD22 ' L' ' 15' ' ' LEU . 50.4 m-85 -107.42 13.42 26.97 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.025 0.44 . . . . 0.0 110.984 -179.099 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' K' K ' 20' ' ' CYS . . . . . . . . . . . . . 1.1 m -85.6 158.71 20.04 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.323 179.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' K' K ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.247 0.958 0 CA-C-O 118.224 -0.893 . . . . 0.0 109.345 179.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' L' L ' 1' ' ' PHE . . . . . . . . . . . . . 57.2 t80 . . . . . 0 N--CA 1.483 1.191 0 CA-C-O 120.301 0.096 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' L' L ' 2' ' ' VAL . . . . . 0.415 ' O ' ' HA ' ' C' ' 9' ' ' SER . 33.6 m 46.51 -139.6 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 C-N-CA 123.92 0.888 . . . . 0.0 112.536 -179.027 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' L' L ' 3' ' ' ASN . . . . . 0.803 ' HB3' HD13 ' C' ' 10' ' ' ILE . 16.2 t-20 -161.3 168.53 23.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 122.259 -0.275 . . . . 0.0 110.942 -177.388 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' L' L ' 4' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -45.26 -36.49 4.01 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 124.407 1.083 . . . . 0.0 111.082 178.02 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' L' L ' 5' ' ' HIS . . . . . 0.569 ' CE1' ' HA ' ' J' ' 17' ' ' LEU . 80.6 t60 -58.08 -17.92 21.3 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 114.817 -1.083 . . . . 0.0 112.991 -179.507 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' L' L ' 6' ' ' LEU . . . . . 0.696 HD21 ' H4 ' ' C' ' 22' ' ' IPH . 13.0 mt -116.74 -48.12 2.68 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.038 0.384 . . . . 0.0 112.038 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' L' L ' 7' ' ' CYS . . . . . 0.402 ' O ' ' HG ' ' L' ' 11' ' ' LEU . 46.8 t -61.81 -44.17 97.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.643 0.258 . . . . 0.0 110.876 -179.071 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' L' L ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.0 -29.2 71.94 Favored Glycine 0 C--N 1.332 0.317 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.617 179.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' L' L ' 9' ' ' SER . . . . . 0.486 ' HB3' ' HG2' ' J' ' 13' ' ' GLU . 5.3 m -66.77 -4.57 9.41 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 122.392 0.277 . . . . 0.0 111.656 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' L' L ' 10' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -122.75 -14.54 7.68 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.651 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' L' L ' 11' ' ' LEU . . . . . 0.482 ' CD2' ' H3 ' ' K' ' 22' ' ' IPH . 26.5 mt -73.51 -17.49 61.21 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 177.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' L' L ' 12' ' ' VAL . . . . . 0.976 HG21 HG21 ' J' ' 12' ' ' VAL . 6.2 m -66.77 -38.9 82.45 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 CA-C-N 114.682 -1.145 . . . . 0.0 110.342 178.313 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' L' L ' 13' ' ' GLU . . . . . 0.482 ' HG2' ' HB3' ' J' ' 9' ' ' SER . 25.7 mt-10 -61.01 -34.74 75.29 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 179.698 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' L' L ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.27 -50.55 67.49 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.058 178.412 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' L' L ' 15' ' ' LEU . . . . . 0.673 HD23 ' HB3' ' K' ' 16' ' ' LEU . 44.7 mt -61.28 -43.73 98.4 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-O 121.776 0.798 . . . . 0.0 109.555 178.493 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' L' L ' 16' ' ' TYR . . . . . 0.566 ' CD2' ' HE2' ' L' ' 24' ' ' PHE . 0.6 OUTLIER -57.02 -47.86 79.87 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.418 -1.264 . . . . 0.0 111.841 -179.265 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' L' L ' 17' ' ' LEU . . . . . 0.595 ' HA ' ' CE1' ' J' ' 5' ' ' HIS . 1.9 mm? -59.54 -41.93 91.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.933 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 45.7 t -76.24 -32.71 22.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.467 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' L' L ' 19' ' ' CYS . . . . . 0.443 ' HB2' ' O ' ' L' ' 15' ' ' LEU . 0.1 OUTLIER -85.33 4.39 35.37 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -178.64 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' L' L ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.57 -114.76 6.59 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.971 -0.633 . . . . 0.0 112.776 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' L' L ' 21' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -125.18 24.54 7.42 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.023 0.44 . . . . 0.0 110.407 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' L' L ' 22' ' ' ARG . . . . . . . . . . . . . 34.4 ttm105 -82.0 -42.33 19.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.343 0.592 . . . . 0.0 110.453 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' L' L ' 23' ' ' GLY . . . . . . . . . . . . . . . 109.22 170.83 20.65 Favored Glycine 0 N--CA 1.443 -0.841 0 N-CA-C 110.596 -1.001 . . . . 0.0 110.596 -178.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' L' L ' 24' ' ' PHE . . . . . 0.642 ' HZ ' ' HB ' ' L' ' 12' ' ' VAL . 51.2 p90 -153.96 -177.38 6.36 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.325 0.583 . . . . 0.0 110.997 -179.628 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' L' L ' 25' ' ' PHE . . . . . . . . . . . . . 7.4 p90 -123.93 140.08 53.33 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 178.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' L' L ' 26' ' ' TYR . . . . . 0.774 ' HE1' HD13 ' K' ' 2' ' ' ILE . 17.6 t80 -133.38 85.94 2.25 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 119.674 -0.81 . . . . 0.0 112.066 -178.537 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' L' L ' 27' ' ' THR . . . . . . . . . . . . . 10.0 m -114.81 84.81 10.81 Favored Pre-proline 0 C--N 1.316 -0.857 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 177.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' L' L ' 28' ' ' PRO . . . . . 0.409 ' HB2' ' CG2' ' K' ' 3' ' ' VAL . 71.6 Cg_endo -80.34 -2.15 11.8 Favored 'Trans proline' 0 N--CA 1.461 -0.426 0 C-N-CA 122.872 2.382 . . . . 0.0 112.803 -177.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' L' L ' 29' ' ' LYS . . . . . . . . . . . . . 55.1 tttm -64.0 103.19 0.56 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.399 0.619 . . . . 0.0 110.335 179.412 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' L' L ' 30' ' ' THR . . . . . . . . . . . . . 7.0 m . . . . . 0 C--O 1.249 1.051 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.477 -179.742 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' IPH . . . . . 0.682 ' H4 ' HD21 ' F' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 22' ' ' IPH . . . . . 0.696 ' H4 ' HD21 ' L' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 22' ' ' IPH . . . . . 0.682 ' H4 ' HD21 ' J' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 22' ' ' IPH . . . . . 0.7 ' H4 ' HD21 ' D' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' I' I ' 22' ' ' IPH . . . . . 0.693 ' H4 ' HD21 ' B' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' K' K ' 22' ' ' IPH . . . . . 0.684 ' H4 ' HD21 ' H' ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.96 0 N-CA-C 111.631 -0.588 . . . . 0.0 111.631 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.6 tt -67.72 -37.57 78.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.649 0.261 . . . . 0.0 110.732 -179.299 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.584 ' O ' ' HB3' ' A' ' 7' ' ' CYS . 87.5 t -73.06 -45.09 55.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.928 0.87 . . . . 0.0 109.24 178.55 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -59.67 -29.49 68.11 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 114.57 -1.195 . . . . 0.0 111.544 179.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -101.35 -46.86 4.88 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 -177.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.492 ' HB3' ' HB2' ' A' ' 11' ' ' CYS . 39.6 m -108.05 8.41 28.22 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 -175.604 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.761 ' HB2' HD11 ' B' ' 11' ' ' LEU . 8.6 t -111.22 -13.56 13.97 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 121.514 0.673 . . . . 0.0 110.042 178.496 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.1 t -75.05 -14.99 60.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.317 0.58 . . . . 0.0 109.673 178.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.0 t 179.57 169.8 1.09 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 107.068 -1.456 . . . . 0.0 107.068 179.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.482 HG12 ' HB3' ' F' ' 5' ' ' HIS . 1.6 mp -62.66 120.36 8.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.861 0.838 . . . . 0.0 110.866 -179.29 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.492 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 2.8 t -80.59 160.77 25.02 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.257 -1.338 . . . . 0.0 110.596 -178.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.556 ' HB2' ' HB2' ' A' ' 15' ' ' GLN . 7.3 m -72.49 141.27 48.56 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.112 179.523 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.3 tt -58.21 -47.55 83.13 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 123.419 0.449 . . . . 0.0 110.99 -179.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -69.12 -25.18 64.27 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.435 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.556 ' HB2' ' HB2' ' A' ' 12' ' ' SER . 5.4 tt0 -72.61 -37.34 68.11 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.162 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.511 HD13 ' HB1' ' B' ' 14' ' ' ALA . 75.6 mt -73.63 -25.35 60.26 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.087 178.742 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -65.96 -25.04 66.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.632 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -78.11 -4.07 45.55 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.888 179.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 8.5 m-30 -89.59 -97.17 0.1 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.437 179.563 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.47 ' HB3' ' H ' ' A' ' 21' ' ' ASN . 52.3 m 55.44 -138.06 1.09 Allowed 'General case' 0 C--O 1.233 0.205 0 O-C-N 123.241 0.338 . . . . 0.0 110.879 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.731 ' HB2' ' HA ' ' B' ' 24' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--O 1.248 1.003 0 CA-C-O 117.921 -1.038 . . . . 0.0 109.268 179.411 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 5.6 p90 . . . . . 0 N--CA 1.481 1.117 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.482 HG11 HD12 ' B' ' 6' ' ' LEU . 33.1 m -118.59 -156.2 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.8 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 28.1 t30 -143.74 -177.27 5.33 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.998 0.428 . . . . 0.0 111.137 -178.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -43.13 -39.9 3.01 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 114.562 -1.199 . . . . 0.0 112.61 179.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . 0.479 ' HB3' HG12 ' I' ' 10' ' ' ILE . 10.6 t60 -49.69 -47.26 50.41 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -179.509 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.482 HD12 HG11 ' B' ' 2' ' ' VAL . 43.2 mt -86.6 -24.68 25.29 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.412 -178.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 43.7 t -68.26 -46.34 70.69 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 177.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . 0.478 ' HA2' ' HG ' ' B' ' 11' ' ' LEU . . . -67.62 -20.33 71.89 Favored Glycine 0 N--CA 1.449 -0.462 0 CA-C-N 115.42 -0.809 . . . . 0.0 112.728 179.253 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . 0.459 ' HB3' ' O ' ' B' ' 6' ' ' LEU . 2.0 t -60.98 -19.11 60.74 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.466 0.651 . . . . 0.0 109.729 178.463 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -109.99 -20.69 12.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.851 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.997 ' HA ' ' H3 ' ' A' ' 22' ' ' IPH . 73.4 mt -66.35 -30.86 71.34 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 178.708 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.484 ' O ' ' HB2' ' B' ' 16' ' ' TYR . 20.4 m -67.35 -33.27 61.53 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.121 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.334 178.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 74.4 mt-10 -57.3 -53.94 52.41 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-O 121.408 0.623 . . . . 0.0 110.167 179.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.511 ' HB1' HD13 ' A' ' 16' ' ' LEU . . . -56.05 -56.12 24.68 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.879 -1.055 . . . . 0.0 111.878 -179.51 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 89.7 mt -55.17 -46.33 75.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.158 0.504 . . . . 0.0 111.637 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . 0.566 ' HE2' ' HE2' ' D' ' 26' ' ' TYR . 0.2 OUTLIER -62.15 -54.19 44.65 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.995 -178.745 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.422 HD13 ' NE2' ' D' ' 5' ' ' HIS . 4.3 mm? -60.97 -46.12 92.02 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 -178.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 99.1 t -66.12 -40.23 86.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 -179.238 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -76.29 -23.57 54.38 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.759 -179.182 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.11 -132.49 11.12 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.425 179.424 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.503 ' OE2' ' HB2' ' D' ' 5' ' ' HIS . 26.9 mm-40 -88.34 49.55 1.81 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.441 0.639 . . . . 0.0 109.702 179.331 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -125.3 -177.2 3.8 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.457 179.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . 0.809 ' HA2' ' HD2' ' D' ' 28' ' ' PRO . . . -113.27 175.69 16.77 Favored Glycine 0 N--CA 1.44 -1.045 0 C-N-CA 120.324 -0.941 . . . . 0.0 112.52 179.622 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . 0.731 ' HA ' ' HB2' ' A' ' 21' ' ' ASN . 5.7 p90 -151.34 141.54 22.28 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-O 121.488 0.661 . . . . 0.0 111.017 179.22 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . 0.487 ' HA ' ' HA ' ' D' ' 25' ' ' PHE . 11.0 p90 -99.12 101.32 12.63 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 106.926 -1.509 . . . . 0.0 106.926 177.432 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.573 ' HE2' ' HE2' ' D' ' 16' ' ' TYR . 12.0 t80 -107.14 102.96 12.25 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.45 -177.406 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . 0.696 ' HA ' ' HA3' ' D' ' 23' ' ' GLY . 0.5 OUTLIER -114.34 82.29 7.35 Favored Pre-proline 0 C--N 1.321 -0.662 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.441 -179.029 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . 0.808 ' HD2' ' HA2' ' D' ' 23' ' ' GLY . 48.9 Cg_endo -70.48 82.3 0.91 Allowed 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.522 2.148 . . . . 0.0 110.452 178.638 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -134.05 149.21 51.15 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.597 -178.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 22.5 m . . . . . 0 C--O 1.254 1.29 0 CA-C-O 118.22 -0.895 . . . . 0.0 108.974 178.856 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.736 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 14.5 tt -63.89 -39.96 87.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.838 0.319 . . . . 0.0 111.09 -179.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 3' ' ' VAL . . . . . 0.589 ' O ' ' HB3' ' C' ' 7' ' ' CYS . 94.2 t -71.16 -44.63 73.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.722 0.772 . . . . 0.0 109.436 178.602 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -59.72 -30.19 68.64 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 114.644 -1.162 . . . . 0.0 111.688 179.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -100.82 -46.86 5.0 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 -177.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 6' ' ' CYS . . . . . 0.492 ' HB3' ' HB2' ' C' ' 11' ' ' CYS . 40.5 m -107.65 8.6 29.16 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 115.017 1.488 . . . . 0.0 115.017 -175.63 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 7' ' ' CYS . . . . . 0.761 ' HB2' HD11 ' D' ' 11' ' ' LEU . 8.6 t -111.28 -13.91 13.88 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 118.737 0.699 . . . . 0.0 110.139 178.693 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 10.3 t -75.4 -13.43 60.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.308 0.575 . . . . 0.0 109.78 178.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 25.9 t 178.29 169.28 0.79 Allowed 'General case' 0 CA--C 1.513 -0.47 0 N-CA-C 107.165 -1.42 . . . . 0.0 107.165 179.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . 0.478 HG12 ' HB3' ' L' ' 5' ' ' HIS . 1.6 mp -62.25 121.5 10.92 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.715 0 CA-C-O 121.965 0.888 . . . . 0.0 110.644 -179.399 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 11' ' ' CYS . . . . . 0.492 ' HB2' ' HB3' ' C' ' 6' ' ' CYS . 2.7 t -82.12 159.99 23.23 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 114.349 -1.296 . . . . 0.0 110.535 -178.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . 0.576 ' HB2' ' HB2' ' C' ' 15' ' ' GLN . 6.8 m -71.37 140.9 50.34 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.304 179.595 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 10.3 tt -57.78 -47.37 82.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.991 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -68.68 -26.12 65.14 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.481 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . 0.576 ' HB2' ' HB2' ' C' ' 12' ' ' SER . 5.5 tt0 -71.14 -39.5 71.93 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 179.048 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 16' ' ' LEU . . . . . 0.519 HD13 ' HB1' ' D' ' 14' ' ' ALA . 73.8 mt -71.61 -25.66 62.26 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.092 178.625 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -66.44 -22.81 66.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.588 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -81.31 -0.65 41.92 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.786 179.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -92.85 -96.68 0.14 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.286 179.382 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 20' ' ' CYS . . . . . 0.46 ' HB3' ' H ' ' C' ' 21' ' ' ASN . 53.1 m 55.08 -138.42 1.08 Allowed 'General case' 0 N--CA 1.465 0.308 0 O-C-N 123.18 0.3 . . . . 0.0 111.127 179.765 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 21' ' ' ASN . . . . . 0.714 ' HB2' ' HA ' ' D' ' 24' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--O 1.251 1.134 0 CA-C-O 118.48 -0.771 . . . . 0.0 109.14 179.327 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 5.7 p90 . . . . . 0 N--CA 1.48 1.072 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 2' ' ' VAL . . . . . 0.469 HG11 HD12 ' D' ' 6' ' ' LEU . 32.7 m -119.28 -156.94 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.835 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 3' ' ' ASN . . . . . . . . . . . . . 25.7 t30 -142.53 -177.14 5.14 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.842 0.353 . . . . 0.0 111.228 -178.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 4' ' ' GLN . . . . . 0.409 ' CD ' ' HB2' ' D' ' 28' ' ' PRO . 24.3 tt0 -43.17 -40.25 3.23 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 124.552 1.141 . . . . 0.0 112.301 179.34 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 5' ' ' HIS . . . . . 0.503 ' HB2' ' OE2' ' B' ' 21' ' ' GLU . 10.5 t60 -49.05 -47.68 44.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 112.028 -179.394 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 6' ' ' LEU . . . . . 0.47 ' O ' ' HB3' ' D' ' 9' ' ' SER . 47.3 mt -86.53 -24.62 25.44 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.504 -178.761 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 7' ' ' CYS . . . . . . . . . . . . . 41.6 t -68.32 -45.94 71.56 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 177.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 8' ' ' GLY . . . . . 0.49 ' HA2' ' HG ' ' D' ' 11' ' ' LEU . . . -67.86 -20.72 72.73 Favored Glycine 0 N--CA 1.448 -0.523 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.65 179.237 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 9' ' ' SER . . . . . 0.47 ' HB3' ' O ' ' D' ' 6' ' ' LEU . 2.1 t -60.5 -19.23 56.26 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.368 0.604 . . . . 0.0 109.82 178.351 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 10' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -110.0 -20.52 12.7 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.831 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 11' ' ' LEU . . . . . 1.06 ' HA ' ' H3 ' ' C' ' 22' ' ' IPH . 71.7 mt -66.54 -30.63 70.99 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 178.638 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . 0.47 ' O ' ' HB2' ' D' ' 16' ' ' TYR . 20.8 m -67.48 -33.11 60.28 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.104 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.223 178.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -57.54 -54.21 49.4 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-O 121.36 0.6 . . . . 0.0 110.079 179.536 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 14' ' ' ALA . . . . . 0.519 ' HB1' HD13 ' C' ' 16' ' ' LEU . . . -55.46 -56.94 14.38 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.998 -1.001 . . . . 0.0 111.752 -179.644 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 89.7 mt -54.79 -46.62 74.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.722 -179.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 16' ' ' TYR . . . . . 0.573 ' HE2' ' HE2' ' B' ' 26' ' ' TYR . 0.2 OUTLIER -61.69 -53.53 54.83 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.9 -178.833 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . 0.425 HD13 ' NE2' ' B' ' 5' ' ' HIS . 4.3 mm? -61.46 -46.9 88.08 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -178.732 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 97.0 t -65.67 -38.82 83.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -179.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -77.33 -24.75 50.74 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 122.146 -0.346 . . . . 0.0 111.565 -179.177 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.08 -132.33 11.01 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.223 179.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 21' ' ' GLU . . . . . 0.462 ' OE2' ' HB2' ' B' ' 5' ' ' HIS . 28.0 mm-40 -88.3 50.16 1.92 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.601 0.715 . . . . 0.0 109.75 179.33 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 22' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -125.21 -176.0 3.46 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.278 -0.874 . . . . 0.0 109.44 179.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 23' ' ' GLY . . . . . 0.808 ' HA2' ' HD2' ' B' ' 28' ' ' PRO . . . -113.9 176.11 16.88 Favored Glycine 0 N--CA 1.443 -0.891 0 C-N-CA 120.383 -0.913 . . . . 0.0 112.609 179.637 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 24' ' ' PHE . . . . . 0.714 ' HA ' ' HB2' ' C' ' 21' ' ' ASN . 5.6 p90 -152.22 140.95 20.92 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-O 121.361 0.601 . . . . 0.0 111.077 179.187 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 25' ' ' PHE . . . . . 0.487 ' HA ' ' HA ' ' B' ' 25' ' ' PHE . 11.9 p90 -98.92 100.52 11.71 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 106.927 -1.509 . . . . 0.0 106.927 177.635 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 26' ' ' TYR . . . . . 0.566 ' HE2' ' HE2' ' B' ' 16' ' ' TYR . 11.8 t80 -106.41 103.43 12.89 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.528 -177.402 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 27' ' ' THR . . . . . 0.703 ' HA ' ' HA3' ' B' ' 23' ' ' GLY . 0.4 OUTLIER -114.73 81.88 7.62 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.65 -178.727 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D ' 28' ' ' PRO . . . . . 0.809 ' HD2' ' HA2' ' B' ' 23' ' ' GLY . 55.5 Cg_endo -70.58 82.92 0.88 Allowed 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 122.332 2.021 . . . . 0.0 110.592 178.663 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 56.9 tttp -134.47 149.29 50.71 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.519 -178.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 21.2 m . . . . . 0 C--O 1.252 1.221 0 CA-C-O 117.891 -1.052 . . . . 0.0 108.734 178.829 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.852 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' E' E ' 2' ' ' ILE . . . . . . . . . . . . . 13.8 tt -64.45 -37.79 80.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.81 0.305 . . . . 0.0 111.281 -179.053 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 3' ' ' VAL . . . . . 0.587 ' O ' ' HB3' ' E' ' 7' ' ' CYS . 90.1 t -73.31 -44.26 55.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.674 0.75 . . . . 0.0 109.21 178.407 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 4' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -59.86 -29.66 68.45 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 114.806 -1.088 . . . . 0.0 111.635 179.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -101.72 -46.74 4.84 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 114.011 1.115 . . . . 0.0 114.011 -177.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 6' ' ' CYS . . . . . 0.444 ' HB3' ' HB2' ' E' ' 11' ' ' CYS . 45.5 m -107.96 8.92 28.67 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 115.065 1.505 . . . . 0.0 115.065 -175.561 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 7' ' ' CYS . . . . . 0.754 ' HB2' HD11 ' F' ' 11' ' ' LEU . 8.6 t -111.59 -13.21 13.83 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 121.638 -0.664 . . . . 0.0 110.199 178.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 9.2 t -76.22 -12.73 60.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.697 178.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 9' ' ' SER . . . . . . . . . . . . . 19.4 t 177.0 168.15 0.54 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.158 -1.423 . . . . 0.0 107.158 179.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 10' ' ' ILE . . . . . 0.465 HG12 ' HB3' ' J' ' 5' ' ' HIS . 1.6 mp -61.43 121.78 10.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 121.649 0.738 . . . . 0.0 110.548 -179.293 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 11' ' ' CYS . . . . . 0.444 ' HB2' ' HB3' ' E' ' 6' ' ' CYS . 2.9 t -83.13 159.65 22.03 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 114.152 -1.385 . . . . 0.0 110.63 -178.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 12' ' ' SER . . . . . 0.596 ' HB2' ' HB2' ' E' ' 15' ' ' GLN . 6.0 m -70.1 142.27 52.64 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.458 179.601 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 10.3 tt -59.93 -46.39 89.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.954 0.407 . . . . 0.0 110.779 -179.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -69.94 -25.4 63.64 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.526 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . 0.596 ' HB2' ' HB2' ' E' ' 12' ' ' SER . 5.5 tt0 -72.2 -38.32 69.05 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 178.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 16' ' ' LEU . . . . . 0.528 HD13 ' HB1' ' F' ' 14' ' ' ALA . 77.1 mt -72.84 -25.04 60.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.092 178.693 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 17' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -66.77 -23.86 66.13 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.72 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 18' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -78.83 -4.34 49.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.955 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 19' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -89.49 -97.87 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.443 179.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 20' ' ' CYS . . . . . 0.486 ' HB3' ' H ' ' E' ' 21' ' ' ASN . 44.5 m 56.1 -138.23 1.03 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.048 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 21' ' ' ASN . . . . . 0.748 ' HB2' ' HA ' ' F' ' 24' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.163 -0.922 . . . . 0.0 109.238 179.664 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' F' F ' 1' ' ' PHE . . . . . . . . . . . . . 5.4 p90 . . . . . 0 N--CA 1.481 1.11 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' F' F ' 2' ' ' VAL . . . . . 0.502 HG11 HD12 ' F' ' 6' ' ' LEU . 32.8 m -118.53 -156.47 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.709 179.642 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' F' F ' 3' ' ' ASN . . . . . . . . . . . . . 28.9 t30 -143.52 -177.48 5.41 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 120.821 0.343 . . . . 0.0 111.256 -178.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 4' ' ' GLN . . . . . 0.439 ' CD ' ' HB2' ' F' ' 28' ' ' PRO . 23.8 tt0 -42.74 -40.71 2.91 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 124.488 1.115 . . . . 0.0 112.423 179.296 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' F' F ' 5' ' ' HIS . . . . . 0.482 ' HB3' HG12 ' A' ' 10' ' ' ILE . 11.1 t60 -48.89 -47.62 43.01 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -179.414 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' F' F ' 6' ' ' LEU . . . . . 0.502 HD12 HG11 ' F' ' 2' ' ' VAL . 42.9 mt -86.28 -24.69 25.86 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.484 -178.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' F' F ' 7' ' ' CYS . . . . . . . . . . . . . 42.2 t -68.32 -46.01 71.38 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 177.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 8' ' ' GLY . . . . . 0.506 ' HA2' ' HG ' ' F' ' 11' ' ' LEU . . . -67.98 -20.42 72.69 Favored Glycine 0 N--CA 1.447 -0.571 0 CA-C-N 115.361 -0.836 . . . . 0.0 112.619 179.394 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' F' F ' 9' ' ' SER . . . . . 0.469 ' HB3' ' O ' ' F' ' 6' ' ' LEU . 2.0 t -60.88 -19.0 59.48 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.405 0.621 . . . . 0.0 109.684 178.509 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' F' F ' 10' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -110.09 -20.83 12.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.819 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 11' ' ' LEU . . . . . 0.976 ' HA ' ' H3 ' ' E' ' 22' ' ' IPH . 69.8 mt -66.32 -30.88 71.38 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 178.621 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' F' F ' 12' ' ' VAL . . . . . 0.484 ' O ' ' HB2' ' F' ' 16' ' ' TYR . 21.0 m -67.14 -33.27 62.03 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.081 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.486 178.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' F' F ' 13' ' ' GLU . . . . . . . . . . . . . 74.5 mt-10 -57.47 -54.36 47.72 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 121.305 0.574 . . . . 0.0 110.032 179.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 14' ' ' ALA . . . . . 0.528 ' HB1' HD13 ' E' ' 16' ' ' LEU . . . -55.59 -56.51 19.43 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.892 -1.049 . . . . 0.0 111.678 -179.672 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' F' F ' 15' ' ' LEU . . . . . . . . . . . . . 92.8 mt -54.89 -46.26 74.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.731 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 16' ' ' TYR . . . . . 0.551 ' HE2' ' HE2' ' H' ' 26' ' ' TYR . 0.2 OUTLIER -62.58 -53.78 49.57 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.976 -178.604 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' F' F ' 17' ' ' LEU . . . . . 0.405 HD13 ' NE2' ' H' ' 5' ' ' HIS . 4.3 mm? -61.09 -46.2 91.62 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -178.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 96.4 t -66.24 -40.35 86.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -179.111 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -75.01 -26.98 59.93 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.673 -179.189 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' F' F ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.32 -131.6 10.62 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.234 179.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 21' ' ' GLU . . . . . 0.45 ' OE2' ' HB2' ' H' ' 5' ' ' HIS . 33.3 mm-40 -88.9 48.19 1.6 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.563 0.697 . . . . 0.0 109.748 179.351 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' F' F ' 22' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -123.71 -177.26 3.68 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.606 179.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 23' ' ' GLY . . . . . 0.794 ' HA2' ' HD2' ' H' ' 28' ' ' PRO . . . -113.64 175.17 16.22 Favored Glycine 0 N--CA 1.442 -0.965 0 C-N-CA 120.367 -0.921 . . . . 0.0 112.54 179.74 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' F' F ' 24' ' ' PHE . . . . . 0.748 ' HA ' ' HB2' ' E' ' 21' ' ' ASN . 5.7 p90 -150.9 141.6 22.72 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.478 0.656 . . . . 0.0 111.116 179.491 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' F' F ' 25' ' ' PHE . . . . . 0.503 ' HA ' ' HA ' ' H' ' 25' ' ' PHE . 11.2 p90 -99.05 100.57 11.74 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 106.839 -1.541 . . . . 0.0 106.839 177.7 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' F' F ' 26' ' ' TYR . . . . . 0.566 ' HE2' ' HE2' ' H' ' 16' ' ' TYR . 12.1 t80 -106.77 103.01 12.35 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.649 -177.256 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' F' F ' 27' ' ' THR . . . . . 0.691 ' HA ' ' HA3' ' H' ' 23' ' ' GLY . 0.3 OUTLIER -114.26 82.05 7.02 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.816 -178.92 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' F' F ' 28' ' ' PRO . . . . . 0.807 ' HD2' ' HA2' ' H' ' 23' ' ' GLY . 55.5 Cg_endo -70.24 82.43 0.85 Allowed 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.268 1.979 . . . . 0.0 110.555 178.536 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' F' F ' 29' ' ' LYS . . . . . . . . . . . . . 56.3 tttp -134.48 147.85 50.45 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.564 -178.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 30' ' ' THR . . . . . . . . . . . . . 18.9 m . . . . . 0 C--O 1.252 1.184 0 CA-C-O 117.64 -1.172 . . . . 0.0 108.5 178.622 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' G' G ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.411 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' G' G ' 2' ' ' ILE . . . . . . . . . . . . . 14.2 tt -64.65 -38.8 83.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.881 0.341 . . . . 0.0 110.958 -179.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 3' ' ' VAL . . . . . 0.572 ' O ' ' HB3' ' G' ' 7' ' ' CYS . 90.5 t -72.32 -43.87 64.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.923 0.868 . . . . 0.0 109.523 178.737 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' G' G ' 4' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -60.02 -32.29 70.74 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 114.998 -1.001 . . . . 0.0 111.54 179.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 5' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -98.5 -46.54 5.71 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 -177.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 6' ' ' CYS . . . . . 0.456 ' HB3' ' HB2' ' G' ' 11' ' ' CYS . 44.4 m -108.03 8.16 28.15 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 115.129 1.529 . . . . 0.0 115.129 -175.65 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' G' G ' 7' ' ' CYS . . . . . 0.762 ' HB2' HD11 ' H' ' 11' ' ' LEU . 7.6 t -111.1 -12.74 14.13 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 118.67 0.668 . . . . 0.0 110.184 178.694 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' G' G ' 8' ' ' THR . . . . . . . . . . . . . 9.7 t -75.9 -13.83 60.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.352 0.596 . . . . 0.0 109.607 178.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 9' ' ' SER . . . . . . . . . . . . . 14.3 t 178.01 168.77 0.74 Allowed 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 106.977 -1.49 . . . . 0.0 106.977 179.367 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 10' ' ' ILE . . . . . 0.453 HG12 ' HB3' ' D' ' 5' ' ' HIS . 1.6 mp -61.46 122.77 12.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-O 121.736 0.779 . . . . 0.0 110.5 -179.449 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' G' G ' 11' ' ' CYS . . . . . 0.456 ' HB2' ' HB3' ' G' ' 6' ' ' CYS . 2.5 t -83.75 160.97 21.15 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 114.142 -1.39 . . . . 0.0 110.41 -178.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' G' G ' 12' ' ' SER . . . . . 0.59 ' HB2' ' HB2' ' G' ' 15' ' ' GLN . 6.6 m -72.06 140.65 49.08 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.494 179.691 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' G' G ' 13' ' ' LEU . . . . . . . . . . . . . 10.2 tt -57.75 -47.53 82.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.854 -179.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -69.86 -23.99 63.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.524 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 15' ' ' GLN . . . . . 0.59 ' HB2' ' HB2' ' G' ' 12' ' ' SER . 5.4 tt0 -73.45 -37.69 65.73 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.995 -0.742 . . . . 0.0 108.995 179.004 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' G' G ' 16' ' ' LEU . . . . . 0.488 HD13 ' HB1' ' H' ' 14' ' ' ALA . 71.2 mt -73.37 -24.65 60.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.012 178.533 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' G' G ' 17' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -67.08 -22.91 65.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.573 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 18' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -81.03 -1.12 42.72 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 121.082 0.468 . . . . 0.0 110.825 179.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 19' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -92.17 -97.77 0.13 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.122 179.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 20' ' ' CYS . . . . . 0.453 ' HB3' ' H ' ' G' ' 21' ' ' ASN . 51.7 m 55.81 -138.49 1.03 Allowed 'General case' 0 C--O 1.233 0.188 0 O-C-N 123.203 0.315 . . . . 0.0 111.074 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' G' G ' 21' ' ' ASN . . . . . 0.737 ' HB2' ' HA ' ' H' ' 24' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--O 1.247 0.951 0 CA-C-O 117.964 -1.017 . . . . 0.0 109.012 179.449 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' H' H ' 1' ' ' PHE . . . . . . . . . . . . . 5.3 p90 . . . . . 0 N--CA 1.483 1.212 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' H' H ' 2' ' ' VAL . . . . . 0.496 HG11 HD12 ' H' ' 6' ' ' LEU . 32.7 m -118.5 -157.69 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 C-N-CA 121.257 -0.177 . . . . 0.0 110.604 179.62 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' H' H ' 3' ' ' ASN . . . . . . . . . . . . . 32.7 t30 -142.67 -176.75 4.99 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 120.843 0.354 . . . . 0.0 111.323 -178.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' H' H ' 4' ' ' GLN . . . . . 0.423 ' CD ' ' HB2' ' H' ' 28' ' ' PRO . 24.2 tt0 -42.34 -41.1 2.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 114.632 -1.167 . . . . 0.0 112.53 179.366 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' H' H ' 5' ' ' HIS . . . . . 0.49 ' HB3' HG12 ' K' ' 10' ' ' ILE . 10.1 t60 -48.72 -47.94 40.83 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 112.019 0.377 . . . . 0.0 112.019 -179.395 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' H' H ' 6' ' ' LEU . . . . . 0.496 HD12 HG11 ' H' ' 2' ' ' VAL . 39.2 mt -85.86 -24.72 26.58 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.596 -178.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' H' H ' 7' ' ' CYS . . . . . . . . . . . . . 43.0 t -68.54 -45.87 71.04 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 177.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' H' H ' 8' ' ' GLY . . . . . 0.511 ' HA2' ' HG ' ' H' ' 11' ' ' LEU . . . -67.77 -21.22 72.94 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.443 -0.799 . . . . 0.0 112.626 179.423 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' H' H ' 9' ' ' SER . . . . . 0.457 ' HB3' ' O ' ' H' ' 6' ' ' LEU . 2.1 t -60.18 -19.43 54.0 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.401 0.62 . . . . 0.0 109.829 178.47 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' H' H ' 10' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -109.73 -20.81 12.68 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.843 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' H' H ' 11' ' ' LEU . . . . . 1.014 ' HA ' ' H3 ' ' G' ' 22' ' ' IPH . 69.3 mt -66.47 -30.75 71.16 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 178.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' H' H ' 12' ' ' VAL . . . . . 0.491 ' O ' ' HB2' ' H' ' 16' ' ' TYR . 20.8 m -67.24 -33.53 63.43 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.114 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.261 178.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' H' H ' 13' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -57.18 -54.73 43.52 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-O 121.358 0.599 . . . . 0.0 109.93 179.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' H' H ' 14' ' ' ALA . . . . . 0.488 ' HB1' HD13 ' G' ' 16' ' ' LEU . . . -55.3 -56.8 15.88 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.831 -1.077 . . . . 0.0 111.811 -179.66 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' H' H ' 15' ' ' LEU . . . . . . . . . . . . . 95.6 mt -54.35 -47.24 72.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.066 0.46 . . . . 0.0 111.737 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' H' H ' 16' ' ' TYR . . . . . 0.566 ' HE2' ' HE2' ' F' ' 26' ' ' TYR . 0.2 OUTLIER -61.39 -53.81 51.81 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.038 -178.816 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' H' H ' 17' ' ' LEU . . . . . 0.443 HD13 ' NE2' ' F' ' 5' ' ' HIS . 4.3 mm? -61.25 -45.91 92.57 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -178.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 95.0 t -66.78 -38.31 81.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 112.257 0.465 . . . . 0.0 112.257 -179.135 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' H' H ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -77.6 -25.79 50.17 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.93 -0.308 . . . . 0.0 111.453 -178.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' H' H ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.33 -132.69 11.26 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.285 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' H' H ' 21' ' ' GLU . . . . . 0.466 ' OE2' ' HB2' ' F' ' 5' ' ' HIS . 30.1 mm-40 -87.54 46.41 1.38 Allowed 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.546 0.689 . . . . 0.0 110.148 179.543 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' H' H ' 22' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -121.63 -175.93 3.2 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.916 179.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' H' H ' 23' ' ' GLY . . . . . 0.807 ' HA2' ' HD2' ' F' ' 28' ' ' PRO . . . -114.31 175.79 16.49 Favored Glycine 0 N--CA 1.443 -0.835 0 C-N-CA 120.436 -0.888 . . . . 0.0 112.633 179.67 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' H' H ' 24' ' ' PHE . . . . . 0.737 ' HA ' ' HB2' ' G' ' 21' ' ' ASN . 5.6 p90 -151.87 140.77 21.04 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-O 121.255 0.55 . . . . 0.0 111.246 179.304 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' H' H ' 25' ' ' PHE . . . . . 0.503 ' HA ' ' HA ' ' F' ' 25' ' ' PHE . 11.2 p90 -98.42 101.03 12.36 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 106.891 -1.522 . . . . 0.0 106.891 177.542 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' H' H ' 26' ' ' TYR . . . . . 0.551 ' HE2' ' HE2' ' F' ' 16' ' ' TYR . 11.7 t80 -106.84 103.29 12.69 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.446 -177.292 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' H' H ' 27' ' ' THR . . . . . 0.71 ' HA ' ' HA3' ' F' ' 23' ' ' GLY . 0.6 OUTLIER -114.72 82.47 8.13 Favored Pre-proline 0 C--N 1.319 -0.718 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.569 -178.851 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' H' H ' 28' ' ' PRO . . . . . 0.794 ' HD2' ' HA2' ' F' ' 23' ' ' GLY . 51.2 Cg_endo -70.41 83.07 0.83 Allowed 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.314 2.009 . . . . 0.0 110.502 178.527 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' H' H ' 29' ' ' LYS . . . . . . . . . . . . . 56.7 tttp -134.98 148.28 49.95 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.738 -178.31 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' H' H ' 30' ' ' THR . . . . . . . . . . . . . 20.0 m . . . . . 0 C--O 1.253 1.284 0 CA-C-O 117.935 -1.031 . . . . 0.0 108.839 178.96 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' I' I ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.684 0 N-CA-C 111.577 -0.609 . . . . 0.0 111.577 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' I' I ' 2' ' ' ILE . . . . . . . . . . . . . 14.1 tt -64.77 -37.52 80.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.61 0.243 . . . . 0.0 111.329 -178.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' I' I ' 3' ' ' VAL . . . . . 0.575 ' O ' ' HB3' ' I' ' 7' ' ' CYS . 93.4 t -74.14 -42.81 51.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.931 0.872 . . . . 0.0 109.192 178.792 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' I' I ' 4' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -61.21 -30.59 70.52 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 114.632 -1.167 . . . . 0.0 111.43 179.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' I' I ' 5' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -100.23 -46.42 5.29 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 114.404 1.261 . . . . 0.0 114.404 -177.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' I' I ' 6' ' ' CYS . . . . . 0.503 ' HB3' ' HB2' ' I' ' 11' ' ' CYS . 48.8 m -108.11 7.71 27.76 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 114.87 1.433 . . . . 0.0 114.87 -175.568 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' I' I ' 7' ' ' CYS . . . . . 0.759 ' HB2' HD11 ' J' ' 11' ' ' LEU . 8.5 t -110.61 -13.1 14.27 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 118.695 0.679 . . . . 0.0 110.151 178.609 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' I' I ' 8' ' ' THR . . . . . . . . . . . . . 10.0 t -75.59 -13.59 60.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.32 0.581 . . . . 0.0 109.792 178.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' I' I ' 9' ' ' SER . . . . . . . . . . . . . 22.8 t 178.21 168.96 0.78 Allowed 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 106.953 -1.499 . . . . 0.0 106.953 179.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' I' I ' 10' ' ' ILE . . . . . 0.479 HG12 ' HB3' ' B' ' 5' ' ' HIS . 1.6 mp -61.96 122.94 13.77 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.715 0 CA-C-O 121.664 0.745 . . . . 0.0 110.451 -179.453 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' I' I ' 11' ' ' CYS . . . . . 0.503 ' HB2' ' HB3' ' I' ' 6' ' ' CYS . 2.9 t -84.08 159.97 21.03 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 114.269 -1.332 . . . . 0.0 110.576 -178.588 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' I' I ' 12' ' ' SER . . . . . 0.594 ' HB2' ' HB2' ' I' ' 15' ' ' GLN . 3.6 m -69.6 142.32 53.55 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.228 179.517 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' I' I ' 13' ' ' LEU . . . . . . . . . . . . . 10.3 tt -59.77 -47.54 85.27 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.87 0.367 . . . . 0.0 110.537 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -68.93 -25.78 64.74 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.558 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' I' I ' 15' ' ' GLN . . . . . 0.594 ' HB2' ' HB2' ' I' ' 12' ' ' SER . 5.6 tt0 -72.48 -37.41 68.46 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 179.105 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' I' I ' 16' ' ' LEU . . . . . 0.501 HD13 ' HB1' ' J' ' 14' ' ' ALA . 65.5 mt -73.48 -24.51 60.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.06 178.558 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' I' I ' 17' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -67.58 -22.55 65.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.545 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' I' I ' 18' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -81.44 -0.43 41.56 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 121.072 0.463 . . . . 0.0 110.667 179.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' I' I ' 19' ' ' TYR . . . . . . . . . . . . . 8.8 m-30 -93.0 -96.95 0.14 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.188 179.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' I' I ' 20' ' ' CYS . . . . . 0.468 ' HB3' ' H ' ' I' ' 21' ' ' ASN . 51.0 m 55.09 -137.89 1.13 Allowed 'General case' 0 N--CA 1.466 0.355 0 O-C-N 123.236 0.335 . . . . 0.0 111.087 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' I' I ' 21' ' ' ASN . . . . . 0.738 ' HB2' ' HA ' ' J' ' 24' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.044 0 CA-C-O 117.987 -1.006 . . . . 0.0 108.962 179.473 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' J' J ' 1' ' ' PHE . . . . . . . . . . . . . 5.7 p90 . . . . . 0 N--CA 1.48 1.036 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' J' J ' 2' ' ' VAL . . . . . 0.478 HG11 HD12 ' J' ' 6' ' ' LEU . 31.7 m -117.38 -155.23 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.059 179.755 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' J' J ' 3' ' ' ASN . . . . . . . . . . . . . 24.4 t30 -144.34 -177.5 5.5 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.854 0.359 . . . . 0.0 111.069 -178.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' J' J ' 4' ' ' GLN . . . . . 0.404 ' CD ' ' HB2' ' J' ' 28' ' ' PRO . 24.2 tt0 -43.04 -40.99 3.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 114.809 -1.087 . . . . 0.0 112.354 179.293 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' J' J ' 5' ' ' HIS . . . . . 0.465 ' HB3' HG12 ' E' ' 10' ' ' ILE . 10.1 t60 -48.32 -48.18 36.32 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -179.476 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' J' J ' 6' ' ' LEU . . . . . 0.478 HD12 HG11 ' J' ' 2' ' ' VAL . 46.6 mt -85.94 -24.28 26.61 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.653 -178.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' J' J ' 7' ' ' CYS . . . . . . . . . . . . . 41.5 t -68.77 -46.06 69.74 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 177.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' J' J ' 8' ' ' GLY . . . . . 0.486 ' HA2' ' HG ' ' J' ' 11' ' ' LEU . . . -67.46 -20.79 72.0 Favored Glycine 0 N--CA 1.449 -0.441 0 CA-C-N 115.332 -0.849 . . . . 0.0 112.593 179.235 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' J' J ' 9' ' ' SER . . . . . 0.469 ' HB3' ' O ' ' J' ' 6' ' ' LEU . 2.0 t -60.51 -19.76 57.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.468 0.652 . . . . 0.0 109.878 178.581 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' J' J ' 10' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -109.52 -20.61 12.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.814 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' J' J ' 11' ' ' LEU . . . . . 1.077 ' HA ' ' H3 ' ' I' ' 22' ' ' IPH . 72.3 mt -66.65 -30.6 70.9 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 178.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' J' J ' 12' ' ' VAL . . . . . 0.472 ' O ' ' HB2' ' J' ' 16' ' ' TYR . 22.0 m -67.23 -33.37 62.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.475 178.729 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' J' J ' 13' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -57.35 -54.28 48.64 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.401 0.619 . . . . 0.0 110.092 179.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' J' J ' 14' ' ' ALA . . . . . 0.501 ' HB1' HD13 ' I' ' 16' ' ' LEU . . . -55.77 -56.64 18.06 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.994 -1.003 . . . . 0.0 111.762 -179.615 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' J' J ' 15' ' ' LEU . . . . . . . . . . . . . 93.2 mt -54.64 -46.37 73.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.683 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' J' J ' 16' ' ' TYR . . . . . 0.568 ' HE2' ' HE2' ' L' ' 26' ' ' TYR . 0.2 OUTLIER -62.2 -53.96 47.8 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.003 -178.754 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' J' J ' 17' ' ' LEU . . . . . 0.423 HD13 ' NE2' ' L' ' 5' ' ' HIS . 4.4 mm? -61.26 -45.7 93.42 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -178.764 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 99.1 t -66.85 -38.79 82.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 -179.239 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' J' J ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -77.12 -26.3 53.07 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.434 -178.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' J' J ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.83 -132.4 11.09 Favored Glycine 0 C--N 1.329 0.147 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.267 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' J' J ' 21' ' ' GLU . . . . . 0.474 ' OE2' ' HB2' ' L' ' 5' ' ' HIS . 27.1 mm-40 -87.82 46.84 1.42 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.415 0.626 . . . . 0.0 109.92 179.517 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' J' J ' 22' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -122.23 -176.17 3.29 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.93 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' J' J ' 23' ' ' GLY . . . . . 0.828 ' HA2' ' HD2' ' L' ' 28' ' ' PRO . . . -114.27 175.1 15.97 Favored Glycine 0 N--CA 1.443 -0.878 0 C-N-CA 120.363 -0.922 . . . . 0.0 112.445 179.727 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' J' J ' 24' ' ' PHE . . . . . 0.738 ' HA ' ' HB2' ' I' ' 21' ' ' ASN . 5.7 p90 -151.2 141.39 22.25 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.488 0.661 . . . . 0.0 111.207 179.328 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' J' J ' 25' ' ' PHE . . . . . 0.48 ' HA ' ' HA ' ' L' ' 25' ' ' PHE . 12.2 p90 -99.25 100.63 11.75 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 106.839 -1.541 . . . . 0.0 106.839 177.665 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' J' J ' 26' ' ' TYR . . . . . 0.559 ' HE2' ' HE2' ' L' ' 16' ' ' TYR . 11.8 t80 -106.55 102.73 12.09 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.57 -177.341 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' J' J ' 27' ' ' THR . . . . . 0.699 ' HA ' ' HA3' ' L' ' 23' ' ' GLY . 0.4 OUTLIER -113.98 82.1 6.62 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.775 -179.17 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' J' J ' 28' ' ' PRO . . . . . 0.822 ' HD2' ' HA2' ' L' ' 23' ' ' GLY . 54.7 Cg_endo -70.41 81.82 0.94 Allowed 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.433 2.089 . . . . 0.0 110.651 178.69 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' J' J ' 29' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -133.66 148.98 51.55 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.546 -178.371 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' J' J ' 30' ' ' THR . . . . . . . . . . . . . 14.8 m . . . . . 0 C--O 1.25 1.116 0 CA-C-O 117.969 -1.015 . . . . 0.0 109.46 179.182 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.821 0 N-CA-C 111.638 -0.585 . . . . 0.0 111.638 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' K' K ' 2' ' ' ILE . . . . . . . . . . . . . 13.1 tt -67.18 -37.55 79.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 120.633 0.254 . . . . 0.0 110.816 -179.087 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' K' K ' 3' ' ' VAL . . . . . 0.595 ' O ' ' HB3' ' K' ' 7' ' ' CYS . 86.4 t -73.21 -43.88 56.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.897 0.856 . . . . 0.0 109.229 178.682 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' K' K ' 4' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -59.78 -31.3 69.55 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 114.663 -1.153 . . . . 0.0 111.552 179.348 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' K' K ' 5' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -100.09 -46.07 5.44 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 114.444 1.275 . . . . 0.0 114.444 -177.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' K' K ' 6' ' ' CYS . . . . . 0.524 ' HB3' ' HB2' ' K' ' 11' ' ' CYS . 45.0 m -108.52 8.03 27.07 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 115.02 1.489 . . . . 0.0 115.02 -175.651 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' K' K ' 7' ' ' CYS . . . . . 0.766 ' HB2' HD11 ' L' ' 11' ' ' LEU . 8.2 t -111.0 -12.96 14.17 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 118.643 0.656 . . . . 0.0 110.216 178.592 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' K' K ' 8' ' ' THR . . . . . . . . . . . . . 10.3 t -75.85 -13.61 60.28 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.386 0.613 . . . . 0.0 109.618 178.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' K' K ' 9' ' ' SER . . . . . . . . . . . . . 20.8 t 178.77 169.9 0.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.062 -1.458 . . . . 0.0 107.062 179.176 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' K' K ' 10' ' ' ILE . . . . . 0.49 HG12 ' HB3' ' H' ' 5' ' ' HIS . 1.6 mp -63.05 121.47 12.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 121.856 0.836 . . . . 0.0 110.532 -179.34 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' K' K ' 11' ' ' CYS . . . . . 0.524 ' HB2' ' HB3' ' K' ' 6' ' ' CYS . 2.9 t -82.1 160.31 23.19 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.488 -1.233 . . . . 0.0 110.654 -178.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' K' K ' 12' ' ' SER . . . . . 0.578 ' HB2' ' HB2' ' K' ' 15' ' ' GLN . 6.1 m -71.29 141.37 50.52 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.27 179.653 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' K' K ' 13' ' ' LEU . . . . . . . . . . . . . 10.3 tt -58.71 -47.03 85.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.766 -179.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -69.59 -24.42 63.68 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.584 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' K' K ' 15' ' ' GLN . . . . . 0.578 ' HB2' ' HB2' ' K' ' 12' ' ' SER . 5.5 tt0 -73.53 -37.32 65.65 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 179.1 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' K' K ' 16' ' ' LEU . . . . . 0.503 HD13 ' HB1' ' L' ' 14' ' ' ALA . 71.4 mt -73.44 -25.41 60.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.071 178.669 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' K' K ' 17' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -67.11 -22.51 65.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.632 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' K' K ' 18' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -80.26 -3.53 49.6 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.727 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' K' K ' 19' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -90.2 -96.81 0.11 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.472 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' K' K ' 20' ' ' CYS . . . . . 0.504 ' HB3' ' H ' ' K' ' 21' ' ' ASN . 53.4 m 54.84 -137.87 1.14 Allowed 'General case' 0 N--CA 1.463 0.215 0 O-C-N 123.207 0.317 . . . . 0.0 110.853 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' K' K ' 21' ' ' ASN . . . . . 0.722 ' HB2' ' HA ' ' L' ' 24' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--O 1.247 0.93 0 CA-C-O 118.511 -0.757 . . . . 0.0 109.335 179.323 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' L' L ' 1' ' ' PHE . . . . . . . . . . . . . 5.9 p90 . . . . . 0 N--CA 1.48 1.041 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' L' L ' 2' ' ' VAL . . . . . 0.508 HG11 HD12 ' L' ' 6' ' ' LEU . 32.9 m -117.25 -153.84 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.97 -179.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' L' L ' 3' ' ' ASN . . . . . . . . . . . . . 29.6 t30 -145.64 -177.49 5.6 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.872 0.368 . . . . 0.0 111.068 -179.092 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' L' L ' 4' ' ' GLN . . . . . 0.418 ' CD ' ' HB2' ' L' ' 28' ' ' PRO . 22.1 tt0 -42.99 -40.6 3.07 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 114.661 -1.154 . . . . 0.0 112.318 179.304 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' L' L ' 5' ' ' HIS . . . . . 0.478 ' HB3' HG12 ' C' ' 10' ' ' ILE . 10.3 t60 -48.8 -47.87 41.85 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.041 0.386 . . . . 0.0 112.041 -179.497 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' L' L ' 6' ' ' LEU . . . . . 0.508 HD12 HG11 ' L' ' 2' ' ' VAL . 43.8 mt -86.19 -24.31 26.17 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.562 -178.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' L' L ' 7' ' ' CYS . . . . . . . . . . . . . 41.9 t -68.64 -46.21 69.8 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 177.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' L' L ' 8' ' ' GLY . . . . . 0.501 ' HA2' ' HG ' ' L' ' 11' ' ' LEU . . . -67.51 -20.81 72.12 Favored Glycine 0 N--CA 1.448 -0.536 0 CA-C-N 115.379 -0.828 . . . . 0.0 112.596 179.268 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' L' L ' 9' ' ' SER . . . . . 0.454 ' HB3' ' O ' ' L' ' 6' ' ' LEU . 2.1 t -60.59 -19.27 57.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.326 0.584 . . . . 0.0 109.782 178.487 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' L' L ' 10' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -110.04 -20.42 12.72 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.76 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' L' L ' 11' ' ' LEU . . . . . 1.035 ' HA ' ' H3 ' ' K' ' 22' ' ' IPH . 73.1 mt -66.29 -30.93 71.45 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 178.657 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' L' L ' 12' ' ' VAL . . . . . 0.473 ' O ' ' HB2' ' L' ' 16' ' ' TYR . 21.9 m -67.22 -33.37 62.47 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.143 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.324 178.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' L' L ' 13' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -57.37 -54.41 47.12 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-O 121.346 0.594 . . . . 0.0 109.957 179.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' L' L ' 14' ' ' ALA . . . . . 0.503 ' HB1' HD13 ' K' ' 16' ' ' LEU . . . -55.7 -56.04 25.12 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.861 -179.549 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' L' L ' 15' ' ' LEU . . . . . . . . . . . . . 94.0 mt -55.21 -46.34 75.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.701 -179.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' L' L ' 16' ' ' TYR . . . . . 0.559 ' HE2' ' HE2' ' J' ' 26' ' ' TYR . 0.2 OUTLIER -62.23 -53.5 54.34 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.627 -0.715 . . . . 0.0 112.034 -178.791 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.65 -45.79 92.52 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -178.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 90.4 t -66.6 -38.34 81.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 -179.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' L' L ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -78.17 -24.18 47.33 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.787 -0.365 . . . . 0.0 111.465 -178.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' L' L ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.5 -132.66 11.25 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.327 179.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' L' L ' 21' ' ' GLU . . . . . 0.46 ' OE2' ' HB2' ' J' ' 5' ' ' HIS . 27.8 mm-40 -87.72 48.67 1.68 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.489 0.662 . . . . 0.0 109.864 179.594 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' L' L ' 22' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -124.6 -178.18 4.05 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.593 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' L' L ' 23' ' ' GLY . . . . . 0.822 ' HA2' ' HD2' ' J' ' 28' ' ' PRO . . . -112.11 175.11 16.9 Favored Glycine 0 N--CA 1.441 -0.994 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.853 179.591 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' L' L ' 24' ' ' PHE . . . . . 0.722 ' HA ' ' HB2' ' K' ' 21' ' ' ASN . 5.7 p90 -151.34 141.52 22.26 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 121.406 0.622 . . . . 0.0 111.025 179.409 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' L' L ' 25' ' ' PHE . . . . . 0.48 ' HA ' ' HA ' ' J' ' 25' ' ' PHE . 10.7 p90 -99.33 100.75 11.86 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 106.891 -1.522 . . . . 0.0 106.891 177.637 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' L' L ' 26' ' ' TYR . . . . . 0.568 ' HE2' ' HE2' ' J' ' 16' ' ' TYR . 12.1 t80 -106.56 103.04 12.4 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.833 -177.324 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' L' L ' 27' ' ' THR . . . . . 0.668 ' HA ' ' HA3' ' J' ' 23' ' ' GLY . 0.2 OUTLIER -114.2 82.12 6.98 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.632 -178.662 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' L' L ' 28' ' ' PRO . . . . . 0.828 ' HD2' ' HA2' ' J' ' 23' ' ' GLY . 51.7 Cg_endo -70.57 80.62 1.09 Allowed 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.366 2.044 . . . . 0.0 110.773 178.678 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' L' L ' 29' ' ' LYS . . . . . . . . . . . . . 58.6 tttp -131.84 149.91 52.31 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.84 -178.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' L' L ' 30' ' ' THR . . . . . . . . . . . . . 19.9 m . . . . . 0 C--O 1.253 1.269 0 CA-C-O 117.832 -1.08 . . . . 0.0 108.716 178.957 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' IPH . . . . . 0.997 ' H3 ' ' HA ' ' B' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 22' ' ' IPH . . . . . 1.06 ' H3 ' ' HA ' ' D' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 22' ' ' IPH . . . . . 0.976 ' H3 ' ' HA ' ' F' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 22' ' ' IPH . . . . . 1.014 ' H3 ' ' HA ' ' H' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' I' I ' 22' ' ' IPH . . . . . 1.077 ' H3 ' ' HA ' ' J' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' K' K ' 22' ' ' IPH . . . . . 1.035 ' H3 ' ' HA ' ' L' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.599 0 N-CA-C 111.781 -0.528 . . . . 0.0 111.781 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.0 tt -65.15 -33.04 60.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 111.788 0.292 . . . . 0.0 111.788 -178.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.724 HG11 ' HG3' ' B' ' 4' ' ' GLN . 53.8 t -68.05 -56.68 11.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.619 -179.749 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -67.65 -15.82 63.84 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -179.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -88.05 -35.37 17.57 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.592 -0.443 . . . . 0.0 111.41 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 70.9 m -103.14 -26.85 12.86 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 -178.029 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.421 ' O ' HG11 ' F' ' 2' ' ' VAL . 8.9 t -97.45 40.9 1.14 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.287 0.565 . . . . 0.0 111.337 -179.377 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.09 -48.44 2.11 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 178.251 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.9 m -149.14 17.71 0.96 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.769 178.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.415 HG23 ' C1 ' ' A' ' 22' ' ' IPH . 2.1 mp 70.39 132.87 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.979 179.759 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 44.7 m -82.02 153.84 25.97 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.206 -0.907 . . . . 0.0 111.542 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.9 t -78.68 162.47 26.18 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.643 178.446 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 39.4 tp -54.82 -40.38 69.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.088 0.471 . . . . 0.0 110.895 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 59.6 m-85 -74.46 -15.67 60.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.838 -0.619 . . . . 0.0 112.412 -179.087 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.449 ' HA ' ' ND2' ' A' ' 18' ' ' ASN . 82.1 mt-30 -85.61 -40.64 16.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.856 0.36 . . . . 0.0 110.755 179.21 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 60.2 mt -67.05 -33.6 75.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.447 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 61.0 tt0 -67.14 -15.18 63.56 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.222 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.449 ' ND2' ' HA ' ' A' ' 15' ' ' GLN . 83.8 m-20 -70.76 -19.26 62.74 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.018 0.437 . . . . 0.0 110.641 179.2 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -101.5 -1.18 33.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.129 0.49 . . . . 0.0 110.308 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 11.1 t -83.6 156.75 22.57 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.805 -179.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.2 m120 . . . . . 0 C--O 1.246 0.906 0 CA-C-O 118.689 -0.672 . . . . 0.0 110.135 179.735 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 3.3 p90 . . . . . 0 N--CA 1.481 1.102 0 CA-C-O 121.742 0.782 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.443 HG11 ' O ' ' I' ' 7' ' ' CYS . 6.0 p -123.0 90.87 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-O 121.928 0.87 . . . . 0.0 110.687 -179.571 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -169.43 -57.74 0.02 OUTLIER 'General case' 0 C--O 1.216 -0.666 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.282 -179.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . 0.724 ' HG3' HG11 ' A' ' 3' ' ' VAL . 42.8 tt0 -51.64 -37.97 52.65 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.993 0.425 . . . . 0.0 111.921 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . 0.587 ' CE1' ' HA ' ' D' ' 17' ' ' LEU . 27.2 t60 -83.03 -5.96 59.3 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 -177.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 13.7 mt -118.52 -40.46 2.91 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.572 0.701 . . . . 0.0 110.382 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . 0.508 ' SG ' HD21 ' B' ' 11' ' ' LEU . 18.3 t -69.22 -40.29 78.06 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.888 -1.051 . . . . 0.0 110.63 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . 0.534 ' O ' HG22 ' B' ' 12' ' ' VAL . . . -52.36 -34.76 41.99 Favored Glycine 0 C--N 1.338 0.641 0 CA-C-N 116.032 -0.531 . . . . 0.0 112.997 179.655 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . 0.686 ' HB2' ' HG3' ' D' ' 13' ' ' GLU . 0.0 OUTLIER -58.29 -29.27 65.72 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 122.978 0.511 . . . . 0.0 111.894 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -94.57 -21.88 18.56 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 120.951 -0.3 . . . . 0.0 111.004 -179.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.811 HD23 ' H3 ' ' A' ' 22' ' ' IPH . 9.0 mt -70.75 -38.83 73.53 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 177.503 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.534 HG22 ' O ' ' B' ' 8' ' ' GLY . 14.1 m -73.83 -34.43 40.19 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.788 179.356 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.679 ' HG3' ' HB2' ' D' ' 9' ' ' SER . 32.6 tt0 -61.44 -36.78 81.34 Favored 'General case' 0 C--N 1.34 0.166 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 179.187 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.484 ' O ' HG23 ' B' ' 18' ' ' VAL . . . -76.81 -32.86 57.9 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.703 178.194 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.518 HD12 ' HA ' ' B' ' 12' ' ' VAL . 26.9 mt -58.05 -60.8 3.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 112.224 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . 0.922 ' HB3' ' HE2' ' B' ' 24' ' ' PHE . 7.9 p90 -72.26 -9.54 58.61 Favored 'General case' 0 C--N 1.333 -0.121 0 C-N-CA 120.006 -0.678 . . . . 0.0 110.484 -179.473 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.577 ' HA ' ' CE1' ' D' ' 5' ' ' HIS . 9.9 tt -73.51 -39.48 64.78 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.234 -1.025 . . . . 0.0 108.234 178.025 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.484 HG23 ' O ' ' B' ' 14' ' ' ALA . 70.9 t -76.16 -42.97 37.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.699 178.543 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . 0.703 ' HB3' ' HB2' ' B' ' 22' ' ' ARG . 71.1 m -67.06 -41.13 86.97 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.722 -179.514 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.57 -95.28 0.61 Allowed Glycine 0 CA--C 1.507 -0.413 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.071 -179.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -92.0 -10.76 38.09 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.474 0.654 . . . . 0.0 109.491 179.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . 0.703 ' HB2' ' HB3' ' B' ' 19' ' ' CYS . 71.8 mtp180 -85.26 160.01 19.95 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.697 179.197 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . 0.69 ' HA2' ' HD2' ' D' ' 28' ' ' PRO . . . -108.1 -169.99 21.47 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.677 -0.773 . . . . 0.0 111.32 178.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . 0.922 ' HE2' ' HB3' ' B' ' 16' ' ' TYR . 29.1 p90 -161.36 159.5 28.44 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.169 0.509 . . . . 0.0 111.122 179.563 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 15.3 m-30 -104.06 110.6 22.83 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 178.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -110.18 99.74 8.75 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.243 0.544 . . . . 0.0 111.48 -178.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . 0.666 ' HA ' ' HA3' ' D' ' 23' ' ' GLY . 5.1 m -119.18 99.26 50.7 Favored Pre-proline 0 C--N 1.315 -0.912 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 177.777 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . 0.687 ' HD2' ' HA2' ' D' ' 23' ' ' GLY . 30.0 Cg_endo -64.55 -114.82 0.0 OUTLIER 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.899 2.399 . . . . 0.0 112.356 -178.158 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.42 ' H ' ' HB2' ' B' ' 28' ' ' PRO . 76.4 tttt 72.83 -39.68 0.45 Allowed 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 122.996 0.518 . . . . 0.0 110.947 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . 0.408 ' H ' ' C ' ' B' ' 28' ' ' PRO . 45.2 m . . . . . 0 C--O 1.251 1.136 0 CA-C-O 117.994 -1.003 . . . . 0.0 108.834 178.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.816 0 N-CA-C 111.444 -0.663 . . . . 0.0 111.444 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 13.4 tt -68.13 -32.41 55.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.817 0.341 . . . . 0.0 111.376 -179.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 3' ' ' VAL . . . . . 0.734 HG11 ' HG3' ' D' ' 4' ' ' GLN . 52.9 t -68.21 -57.14 10.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.586 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -68.51 -12.85 61.82 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -179.326 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -90.43 -37.25 14.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 122.048 -0.407 . . . . 0.0 111.07 179.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 70.7 m -100.72 -28.38 12.86 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 113.007 0.743 . . . . 0.0 113.007 -178.039 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 7' ' ' CYS . . . . . 0.426 ' O ' HG11 ' L' ' 2' ' ' VAL . 8.4 t -96.27 41.17 1.11 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.368 0.604 . . . . 0.0 111.44 -179.452 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -122.19 -49.84 2.04 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 177.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 73.1 m -147.98 17.97 1.11 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.642 178.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . 0.417 HG23 ' C1 ' ' C' ' 22' ' ' IPH . 2.1 mp 70.45 133.64 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 CA-C-N 115.175 -0.921 . . . . 0.0 111.818 179.613 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 46.4 m -82.87 153.76 24.96 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.45 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 33.1 t -78.36 163.0 26.05 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.507 178.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 39.6 tp -56.22 -38.01 70.46 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.174 0.511 . . . . 0.0 110.949 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -76.73 -14.93 59.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.028 -179.244 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . 0.416 ' HA ' ' ND2' ' C' ' 18' ' ' ASN . 83.2 mt-30 -86.3 -40.11 15.82 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.077 0.465 . . . . 0.0 110.487 179.334 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 59.5 mt -67.41 -33.92 76.17 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.535 -179.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 64.3 tt0 -67.44 -14.59 63.07 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.147 -179.514 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 18' ' ' ASN . . . . . 0.416 ' ND2' ' HA ' ' C' ' 15' ' ' GLN . 82.3 m-20 -71.5 -18.79 62.26 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.89 0.376 . . . . 0.0 110.473 179.317 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -101.29 -1.85 32.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.107 0.479 . . . . 0.0 110.351 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 10.7 t -82.58 158.5 23.05 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.147 -179.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 5.5 m120 . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.773 -0.632 . . . . 0.0 110.172 179.741 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 3.2 p90 . . . . . 0 N--CA 1.482 1.143 0 CA-C-O 121.767 0.794 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 2' ' ' VAL . . . . . 0.438 HG11 ' O ' ' G' ' 7' ' ' CYS . 5.9 p -122.68 89.98 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.853 0.835 . . . . 0.0 110.78 -179.404 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 3' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -168.38 -57.93 0.02 OUTLIER 'General case' 0 C--O 1.215 -0.715 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.348 -179.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 4' ' ' GLN . . . . . 0.734 ' HG3' HG11 ' C' ' 3' ' ' VAL . 46.4 tt0 -51.21 -38.89 54.95 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.919 0.39 . . . . 0.0 111.941 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 5' ' ' HIS . . . . . 0.577 ' CE1' ' HA ' ' B' ' 17' ' ' LEU . 26.7 t60 -81.9 -6.43 59.1 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 -177.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 13.2 mt -118.39 -40.59 2.91 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 121.671 0.748 . . . . 0.0 110.473 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 7' ' ' CYS . . . . . 0.531 ' SG ' HD21 ' D' ' 11' ' ' LEU . 16.2 t -69.18 -39.95 78.39 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 114.802 -1.09 . . . . 0.0 110.693 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 8' ' ' GLY . . . . . 0.504 ' O ' HG22 ' D' ' 12' ' ' VAL . . . -52.78 -34.44 44.6 Favored Glycine 0 C--N 1.334 0.446 0 CA-C-N 115.974 -0.557 . . . . 0.0 112.897 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 9' ' ' SER . . . . . 0.679 ' HB2' ' HG3' ' B' ' 13' ' ' GLU . 0.0 OUTLIER -58.61 -29.16 66.27 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 122.88 0.472 . . . . 0.0 111.887 -179.89 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' D' D ' 10' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -94.64 -21.81 18.56 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.836 -0.346 . . . . 0.0 111.114 -179.496 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 11' ' ' LEU . . . . . 0.814 HD23 ' H3 ' ' C' ' 22' ' ' IPH . 9.1 mt -70.71 -39.05 73.64 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 177.559 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . 0.522 ' HA ' HD12 ' D' ' 15' ' ' LEU . 15.2 m -73.72 -34.17 40.2 Favored 'Isoleucine or valine' 0 C--O 1.232 0.158 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.802 179.415 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 13' ' ' GLU . . . . . 0.686 ' HG3' ' HB2' ' B' ' 9' ' ' SER . 33.2 tt0 -61.69 -36.49 81.03 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 179.268 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 14' ' ' ALA . . . . . 0.459 ' O ' HG23 ' D' ' 18' ' ' VAL . . . -76.97 -33.18 57.66 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.582 178.219 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 15' ' ' LEU . . . . . 0.522 HD12 ' HA ' ' D' ' 12' ' ' VAL . 25.8 mt -57.75 -60.91 2.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.091 -179.658 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 16' ' ' TYR . . . . . 0.932 ' HB3' ' HE2' ' D' ' 24' ' ' PHE . 8.0 p90 -72.19 -9.55 58.59 Favored 'General case' 0 C--N 1.334 -0.108 0 C-N-CA 120.057 -0.657 . . . . 0.0 110.607 -179.51 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . 0.587 ' HA ' ' CE1' ' B' ' 5' ' ' HIS . 9.5 tt -73.36 -40.25 64.53 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.223 -1.028 . . . . 0.0 108.223 177.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . 0.459 HG23 ' O ' ' D' ' 14' ' ' ALA . 67.2 t -75.55 -42.67 42.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.899 178.592 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 19' ' ' CYS . . . . . 0.721 ' HB3' ' HB2' ' D' ' 22' ' ' ARG . 71.2 m -67.77 -40.3 84.02 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.293 -0.867 . . . . 0.0 111.679 -179.508 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.17 -96.27 0.61 Allowed Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.901 -0.666 . . . . 0.0 111.866 -179.463 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -89.44 -15.49 33.03 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.453 0.644 . . . . 0.0 109.589 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 22' ' ' ARG . . . . . 0.721 ' HB2' ' HB3' ' D' ' 19' ' ' CYS . 69.8 mtp180 -80.75 161.21 24.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.14 179.415 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 23' ' ' GLY . . . . . 0.687 ' HA2' ' HD2' ' B' ' 28' ' ' PRO . . . -109.65 -170.25 20.27 Favored Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 178.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 24' ' ' PHE . . . . . 0.932 ' HE2' ' HB3' ' D' ' 16' ' ' TYR . 29.8 p90 -160.91 159.26 29.45 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.208 0.527 . . . . 0.0 111.081 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 25' ' ' PHE . . . . . . . . . . . . . 15.5 m-30 -104.16 109.02 20.66 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.717 -0.845 . . . . 0.0 108.717 178.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 26' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -108.73 98.76 8.21 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.143 0.497 . . . . 0.0 111.872 -178.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 27' ' ' THR . . . . . 0.666 ' HA ' ' HA3' ' B' ' 23' ' ' GLY . 5.7 m -118.26 99.9 51.7 Favored Pre-proline 0 C--N 1.312 -1.05 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 177.678 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 28' ' ' PRO . . . . . 0.69 ' HD2' ' HA2' ' B' ' 23' ' ' GLY . 30.1 Cg_endo -65.21 -113.78 0.0 OUTLIER 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 123.003 2.468 . . . . 0.0 112.292 -178.028 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 29' ' ' LYS . . . . . 0.445 ' H ' ' HB2' ' D' ' 28' ' ' PRO . 77.9 tttt 72.17 -39.49 0.45 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.093 0.557 . . . . 0.0 110.911 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 30' ' ' THR . . . . . 0.426 ' H ' ' C ' ' D' ' 28' ' ' PRO . 60.0 m . . . . . 0 C--O 1.25 1.117 0 CA-C-O 117.921 -1.038 . . . . 0.0 108.82 178.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.198 0 N-CA-C 111.821 -0.511 . . . . 0.0 111.821 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' E' E ' 2' ' ' ILE . . . . . . . . . . . . . 13.9 tt -67.0 -32.57 58.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 -179.353 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 3' ' ' VAL . . . . . 0.748 HG11 ' HG3' ' F' ' 4' ' ' GLN . 55.5 t -68.0 -57.22 10.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.583 -179.655 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 4' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -68.59 -12.63 61.56 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -179.1 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -90.86 -37.18 13.75 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.843 0.354 . . . . 0.0 110.668 179.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 6' ' ' CYS . . . . . . . . . . . . . 71.3 m -101.35 -27.09 13.36 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 113.18 0.807 . . . . 0.0 113.18 -177.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 7' ' ' CYS . . . . . 0.451 ' O ' HG11 ' J' ' 2' ' ' VAL . 8.3 t -96.84 40.07 1.15 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.291 0.567 . . . . 0.0 111.214 -179.481 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.93 -50.14 2.18 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 178.012 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 9' ' ' SER . . . . . . . . . . . . . 73.7 m -147.68 18.75 1.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.639 178.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 10' ' ' ILE . . . . . 0.409 HG23 ' C1 ' ' E' ' 22' ' ' IPH . 2.1 mp 70.37 134.83 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 CA-C-N 115.223 -0.899 . . . . 0.0 111.792 179.788 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 11' ' ' CYS . . . . . . . . . . . . . 38.2 m -83.95 155.35 22.87 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.355 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 12' ' ' SER . . . . . . . . . . . . . 30.6 t -79.87 162.4 25.05 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.621 178.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 40.2 tp -55.91 -37.39 68.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.194 0.521 . . . . 0.0 111.042 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -77.92 -14.04 59.68 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.76 -0.655 . . . . 0.0 112.216 -179.142 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . 0.435 ' HA ' ' ND2' ' E' ' 18' ' ' ASN . 83.3 mt-30 -87.01 -40.65 14.54 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.075 0.464 . . . . 0.0 110.224 179.337 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 16' ' ' LEU . . . . . . . . . . . . . 59.8 mt -66.38 -33.83 76.59 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.625 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 17' ' ' GLU . . . . . . . . . . . . . 62.1 tt0 -67.05 -16.41 64.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.82 0.343 . . . . 0.0 111.09 -179.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 18' ' ' ASN . . . . . 0.435 ' ND2' ' HA ' ' E' ' 15' ' ' GLN . 83.0 m-20 -68.94 -20.83 64.22 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.789 0.328 . . . . 0.0 110.491 179.02 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 19' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -99.93 -1.43 37.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.073 0.463 . . . . 0.0 110.739 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 20' ' ' CYS . . . . . . . . . . . . . 11.2 t -83.82 157.19 22.13 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.062 -179.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 21' ' ' ASN . . . . . . . . . . . . . 5.3 m120 . . . . . 0 C--O 1.246 0.87 0 CA-C-O 118.8 -0.619 . . . . 0.0 109.932 179.627 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' F' F ' 1' ' ' PHE . . . . . . . . . . . . . 3.9 p90 . . . . . 0 N--CA 1.48 1.065 0 CA-C-O 121.751 0.786 . . . . 0.0 110.816 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' F' F ' 2' ' ' VAL . . . . . 0.421 HG11 ' O ' ' A' ' 7' ' ' CYS . 5.5 p -125.96 87.61 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 121.81 0.814 . . . . 0.0 110.744 -179.472 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' F' F ' 3' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -166.46 -57.39 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.203 -179.487 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 4' ' ' GLN . . . . . 0.748 ' HG3' HG11 ' E' ' 3' ' ' VAL . 43.8 tt0 -51.47 -37.67 50.07 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' F' F ' 5' ' ' HIS . . . . . 0.577 ' CE1' ' HA ' ' H' ' 17' ' ' LEU . 26.9 t60 -82.86 -6.67 59.55 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 113.239 0.829 . . . . 0.0 113.239 -177.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' F' F ' 6' ' ' LEU . . . . . . . . . . . . . 13.9 mt -117.97 -41.22 2.91 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 121.703 0.763 . . . . 0.0 110.426 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 7' ' ' CYS . . . . . 0.534 ' SG ' HD21 ' F' ' 11' ' ' LEU . 15.9 t -68.51 -40.6 80.78 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.773 -1.103 . . . . 0.0 110.508 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' F' F ' 8' ' ' GLY . . . . . 0.507 ' O ' HG22 ' F' ' 12' ' ' VAL . . . -52.13 -34.86 40.42 Favored Glycine 0 C--N 1.337 0.635 0 CA-C-N 116.023 -0.535 . . . . 0.0 113.099 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' F' F ' 9' ' ' SER . . . . . 0.671 ' HB2' ' HG3' ' H' ' 13' ' ' GLU . 0.0 OUTLIER -58.33 -28.93 65.53 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 122.838 0.455 . . . . 0.0 111.996 -179.755 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' F' F ' 10' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -94.74 -21.85 18.48 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.953 -179.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 11' ' ' LEU . . . . . 0.813 HD23 ' H3 ' ' E' ' 22' ' ' IPH . 9.0 mt -70.78 -39.13 73.35 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 177.534 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' F' F ' 12' ' ' VAL . . . . . 0.534 ' HA ' HD12 ' F' ' 15' ' ' LEU . 14.4 m -73.68 -34.34 40.98 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.786 179.388 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' F' F ' 13' ' ' GLU . . . . . 0.657 ' HG3' ' HB2' ' H' ' 9' ' ' SER . 32.6 tt0 -61.35 -36.88 81.42 Favored 'General case' 0 N--CA 1.462 0.159 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 179.252 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' F' F ' 14' ' ' ALA . . . . . 0.478 ' O ' HG23 ' F' ' 18' ' ' VAL . . . -76.92 -32.76 57.6 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.488 178.307 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' F' F ' 15' ' ' LEU . . . . . 0.534 HD12 ' HA ' ' F' ' 12' ' ' VAL . 26.3 mt -58.06 -60.7 3.33 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' F' F ' 16' ' ' TYR . . . . . 0.935 ' HB3' ' HE2' ' F' ' 24' ' ' PHE . 8.0 p90 -72.46 -9.34 58.41 Favored 'General case' 0 N--CA 1.463 0.198 0 C-N-CA 119.94 -0.704 . . . . 0.0 110.389 -179.48 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' F' F ' 17' ' ' LEU . . . . . 0.589 ' HA ' ' CE1' ' H' ' 5' ' ' HIS . 9.4 tt -73.58 -40.85 63.59 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 177.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . 0.478 HG23 ' O ' ' F' ' 14' ' ' ALA . 76.7 t -74.51 -42.94 49.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.869 178.575 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' F' F ' 19' ' ' CYS . . . . . 0.717 ' HB3' ' HB2' ' F' ' 22' ' ' ARG . 71.3 m -67.57 -41.55 83.98 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.199 -0.91 . . . . 0.0 111.71 -179.522 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' F' F ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.24 -97.18 0.75 Allowed Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.847 -0.692 . . . . 0.0 111.817 -179.286 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 21' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -89.04 -14.44 36.41 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.46 0.648 . . . . 0.0 109.56 179.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 22' ' ' ARG . . . . . 0.717 ' HB2' ' HB3' ' F' ' 19' ' ' CYS . 71.5 mtp180 -81.4 160.53 24.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.122 179.272 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' F' F ' 23' ' ' GLY . . . . . 0.706 ' HA2' ' HD2' ' H' ' 28' ' ' PRO . . . -109.23 -170.47 20.61 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.588 -0.815 . . . . 0.0 111.53 179.064 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' F' F ' 24' ' ' PHE . . . . . 0.935 ' HE2' ' HB3' ' F' ' 16' ' ' TYR . 29.7 p90 -160.87 159.41 29.74 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 117.307 0.554 . . . . 0.0 111.247 179.628 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' F' F ' 25' ' ' PHE . . . . . . . . . . . . . 15.5 m-30 -104.49 107.73 18.81 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 179.062 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 26' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -107.55 99.67 9.15 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.265 0.555 . . . . 0.0 111.971 -178.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 27' ' ' THR . . . . . 0.657 ' HA ' ' HA3' ' H' ' 23' ' ' GLY . 4.5 m -118.73 99.3 51.3 Favored Pre-proline 0 C--N 1.315 -0.899 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 177.698 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' F' F ' 28' ' ' PRO . . . . . 0.697 ' HD2' ' HA2' ' H' ' 23' ' ' GLY . 32.1 Cg_endo -64.59 -113.79 0.0 OUTLIER 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.833 2.355 . . . . 0.0 112.638 -178.35 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' F' F ' 29' ' ' LYS . . . . . 0.479 ' H ' ' HB2' ' F' ' 28' ' ' PRO . 76.8 tttt 72.25 -41.04 0.49 Allowed 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 123.175 0.59 . . . . 0.0 110.861 -179.722 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' F' F ' 30' ' ' THR . . . . . 0.42 ' H ' ' C ' ' F' ' 28' ' ' PRO . 41.0 m . . . . . 0 C--O 1.253 1.273 0 CA-C-O 117.846 -1.073 . . . . 0.0 108.456 178.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.106 0 N-CA-C 111.589 -0.604 . . . . 0.0 111.589 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' G' G ' 2' ' ' ILE . . . . . . . . . . . . . 13.5 tt -66.48 -32.26 57.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 -179.197 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 3' ' ' VAL . . . . . 0.748 HG11 ' HG3' ' H' ' 4' ' ' GLN . 56.6 t -68.63 -56.25 13.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 C-N-CA 121.166 -0.214 . . . . 0.0 111.522 -179.698 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' G' G ' 4' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -69.06 -13.27 62.35 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -179.402 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 5' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -90.1 -37.9 13.92 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.901 179.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 6' ' ' CYS . . . . . . . . . . . . . 71.3 m -100.31 -27.47 13.46 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 -177.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 7' ' ' CYS . . . . . 0.438 ' O ' HG11 ' D' ' 2' ' ' VAL . 8.6 t -96.71 40.59 1.13 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.337 0.589 . . . . 0.0 111.186 -179.348 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' G' G ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.72 -50.04 2.09 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 178.161 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' G' G ' 9' ' ' SER . . . . . . . . . . . . . 57.9 m -146.95 16.67 1.22 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.754 178.354 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 10' ' ' ILE . . . . . 0.413 HG23 ' C1 ' ' G' ' 22' ' ' IPH . 2.1 mp 71.67 131.83 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.25 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.795 179.791 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' G' G ' 11' ' ' CYS . . . . . . . . . . . . . 48.2 m -80.5 153.97 27.83 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.64 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 12' ' ' SER . . . . . . . . . . . . . 40.7 t -78.72 162.86 25.87 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.485 178.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 13' ' ' LEU . . . . . . . . . . . . . 40.1 tp -56.16 -38.82 71.41 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.093 0.473 . . . . 0.0 110.865 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -75.92 -14.38 60.25 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.166 -179.185 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 15' ' ' GLN . . . . . 0.434 ' HA ' ' ND2' ' G' ' 18' ' ' ASN . 83.3 mt-30 -86.87 -40.49 14.84 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.997 0.427 . . . . 0.0 110.49 179.343 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' G' G ' 16' ' ' LEU . . . . . . . . . . . . . 56.1 mt -66.94 -33.69 76.14 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.504 -179.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 17' ' ' GLU . . . . . . . . . . . . . 65.2 tt0 -67.05 -16.21 64.2 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.198 -179.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 18' ' ' ASN . . . . . 0.434 ' ND2' ' HA ' ' G' ' 15' ' ' GLN . 82.4 m-20 -69.4 -20.48 63.81 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.772 0.32 . . . . 0.0 110.626 179.212 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' G' G ' 19' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -100.12 -1.54 36.47 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.486 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 20' ' ' CYS . . . . . . . . . . . . . 11.3 t -83.92 156.64 22.26 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.017 -179.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 21' ' ' ASN . . . . . . . . . . . . . 6.1 m120 . . . . . 0 C--O 1.246 0.911 0 CA-C-O 118.702 -0.666 . . . . 0.0 110.112 179.76 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' H' H ' 1' ' ' PHE . . . . . . . . . . . . . 3.5 p90 . . . . . 0 N--CA 1.48 1.049 0 CA-C-O 121.786 0.803 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' H' H ' 2' ' ' VAL . . . . . 0.453 HG11 ' O ' ' K' ' 7' ' ' CYS . 5.7 p -123.18 90.19 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.723 0.773 . . . . 0.0 110.607 -179.632 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' H' H ' 3' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -168.76 -58.11 0.02 OUTLIER 'General case' 0 C--O 1.217 -0.622 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.145 -179.45 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' H' H ' 4' ' ' GLN . . . . . 0.748 ' HG3' HG11 ' G' ' 3' ' ' VAL . 43.8 tt0 -51.22 -37.71 48.44 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' H' H ' 5' ' ' HIS . . . . . 0.589 ' CE1' ' HA ' ' F' ' 17' ' ' LEU . 27.5 t60 -83.11 -6.3 59.43 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 -177.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' H' H ' 6' ' ' LEU . . . . . . . . . . . . . 13.2 mt -118.33 -40.85 2.89 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 121.591 0.71 . . . . 0.0 110.389 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' H' H ' 7' ' ' CYS . . . . . 0.503 ' SG ' HD21 ' H' ' 11' ' ' LEU . 16.3 t -68.92 -40.27 79.18 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 114.81 -1.086 . . . . 0.0 110.621 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' H' H ' 8' ' ' GLY . . . . . 0.532 ' O ' HG22 ' H' ' 12' ' ' VAL . . . -52.65 -34.0 42.77 Favored Glycine 0 C--N 1.337 0.591 0 CA-C-N 116.012 -0.54 . . . . 0.0 113.094 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' H' H ' 9' ' ' SER . . . . . 0.657 ' HB2' ' HG3' ' F' ' 13' ' ' GLU . 0.0 OUTLIER -58.66 -28.99 66.24 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 122.884 0.474 . . . . 0.0 111.837 -179.912 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' H' H ' 10' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -95.01 -21.81 18.35 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.885 -179.476 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' H' H ' 11' ' ' LEU . . . . . 0.821 HD23 ' H3 ' ' G' ' 22' ' ' IPH . 9.0 mt -70.63 -39.07 73.93 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 107.537 -1.283 . . . . 0.0 107.537 177.433 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' H' H ' 12' ' ' VAL . . . . . 0.532 HG22 ' O ' ' H' ' 8' ' ' GLY . 14.9 m -73.72 -34.0 39.74 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.921 179.399 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' H' H ' 13' ' ' GLU . . . . . 0.671 ' HG3' ' HB2' ' F' ' 9' ' ' SER . 33.4 tt0 -61.86 -36.65 81.87 Favored 'General case' 0 C--N 1.34 0.196 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 179.248 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' H' H ' 14' ' ' ALA . . . . . 0.476 ' O ' HG23 ' H' ' 18' ' ' VAL . . . -76.89 -32.74 57.65 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.602 178.105 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' H' H ' 15' ' ' LEU . . . . . 0.519 HD12 ' HA ' ' H' ' 12' ' ' VAL . 25.0 mt -58.19 -60.56 3.57 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -179.671 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' H' H ' 16' ' ' TYR . . . . . 0.944 ' HB3' ' HE2' ' H' ' 24' ' ' PHE . 8.2 p90 -72.52 -9.5 58.63 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.03 -0.668 . . . . 0.0 110.511 -179.488 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' H' H ' 17' ' ' LEU . . . . . 0.577 ' HA ' ' CE1' ' F' ' 5' ' ' HIS . 9.7 tt -73.42 -39.82 64.74 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 177.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . 0.476 HG23 ' O ' ' H' ' 14' ' ' ALA . 66.9 t -76.08 -43.25 38.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.364 -0.834 . . . . 0.0 109.665 178.455 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' H' H ' 19' ' ' CYS . . . . . 0.696 ' HB3' ' HB2' ' H' ' 22' ' ' ARG . 71.0 m -66.19 -42.25 89.09 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.441 -0.799 . . . . 0.0 111.475 -179.684 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' H' H ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.93 -96.12 0.76 Allowed Glycine 0 CA--C 1.505 -0.572 0 C-N-CA 120.769 -0.729 . . . . 0.0 111.924 -179.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' H' H ' 21' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -90.31 -14.52 33.03 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-O 121.414 0.626 . . . . 0.0 109.505 179.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' H' H ' 22' ' ' ARG . . . . . 0.696 ' HB2' ' HB3' ' H' ' 19' ' ' CYS . 70.0 mtp180 -81.62 161.42 23.48 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.228 -0.897 . . . . 0.0 110.003 179.504 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' H' H ' 23' ' ' GLY . . . . . 0.697 ' HA2' ' HD2' ' F' ' 28' ' ' PRO . . . -109.75 -170.3 20.2 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.665 -0.779 . . . . 0.0 111.298 178.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' H' H ' 24' ' ' PHE . . . . . 0.944 ' HE2' ' HB3' ' H' ' 16' ' ' TYR . 29.6 p90 -161.02 158.88 28.63 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 117.367 0.583 . . . . 0.0 111.39 179.738 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' H' H ' 25' ' ' PHE . . . . . . . . . . . . . 15.5 m-30 -103.68 109.62 21.39 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 178.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' H' H ' 26' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -109.38 98.72 8.08 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.051 0.453 . . . . 0.0 111.814 -178.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' H' H ' 27' ' ' THR . . . . . 0.675 ' HA ' ' HA3' ' F' ' 23' ' ' GLY . 6.2 m -118.04 99.46 51.94 Favored Pre-proline 0 C--N 1.315 -0.928 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 177.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' H' H ' 28' ' ' PRO . . . . . 0.706 ' HD2' ' HA2' ' F' ' 23' ' ' GLY . 29.4 Cg_endo -64.06 -113.62 0.0 OUTLIER 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 123.065 2.51 . . . . 0.0 112.726 -178.241 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' H' H ' 29' ' ' LYS . . . . . 0.432 ' H ' ' HB2' ' H' ' 28' ' ' PRO . 75.4 tttt 71.98 -42.71 0.54 Allowed 'General case' 0 N--CA 1.467 0.375 0 C-N-CA 123.019 0.528 . . . . 0.0 110.761 -179.683 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' H' H ' 30' ' ' THR . . . . . . . . . . . . . 59.8 m . . . . . 0 C--O 1.251 1.179 0 CA-C-O 117.915 -1.04 . . . . 0.0 108.787 178.864 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' I' I ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.571 0 N-CA-C 111.447 -0.661 . . . . 0.0 111.447 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' I' I ' 2' ' ' ILE . . . . . . . . . . . . . 13.4 tt -67.35 -32.49 57.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 116.795 0.297 . . . . 0.0 111.8 -178.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' I' I ' 3' ' ' VAL . . . . . 0.718 HG11 ' HG3' ' J' ' 4' ' ' GLN . 54.8 t -68.05 -57.49 9.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.64 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' I' I ' 4' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -68.42 -13.72 62.49 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -179.313 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' I' I ' 5' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -89.14 -38.03 14.62 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.944 179.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' I' I ' 6' ' ' CYS . . . . . . . . . . . . . 71.6 m -100.82 -26.65 13.69 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.404 0.89 . . . . 0.0 113.404 -177.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' I' I ' 7' ' ' CYS . . . . . 0.443 ' O ' HG11 ' B' ' 2' ' ' VAL . 8.5 t -97.17 40.26 1.15 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.465 0.65 . . . . 0.0 111.261 -179.446 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' I' I ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.45 -48.68 2.18 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.327 178.312 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' I' I ' 9' ' ' SER . . . . . . . . . . . . . 74.8 m -148.34 15.86 1.02 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.627 178.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' I' I ' 10' ' ' ILE . . . . . 0.411 HG23 ' C1 ' ' I' ' 22' ' ' IPH . 2.1 mp 72.12 132.51 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.828 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' I' I ' 11' ' ' CYS . . . . . . . . . . . . . 38.9 m -81.14 155.15 26.37 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.558 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' I' I ' 12' ' ' SER . . . . . . . . . . . . . 43.7 t -79.6 163.29 24.73 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.49 178.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' I' I ' 13' ' ' LEU . . . . . . . . . . . . . 38.3 tp -56.43 -38.46 71.62 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.137 0.494 . . . . 0.0 110.96 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -75.64 -17.39 60.01 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.838 -0.619 . . . . 0.0 112.058 -179.358 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' I' I ' 15' ' ' GLN . . . . . 0.421 ' HA ' ' ND2' ' I' ' 18' ' ' ASN . 85.2 mt-30 -83.54 -41.08 18.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.89 0.376 . . . . 0.0 110.684 179.198 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' I' I ' 16' ' ' LEU . . . . . . . . . . . . . 55.6 mt -66.34 -34.07 77.14 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.601 -179.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' I' I ' 17' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -66.81 -15.72 63.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.185 -179.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' I' I ' 18' ' ' ASN . . . . . 0.421 ' ND2' ' HA ' ' I' ' 15' ' ' GLN . 83.6 m-20 -70.16 -18.97 63.22 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.838 0.352 . . . . 0.0 110.698 179.278 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' I' I ' 19' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -101.36 -2.59 30.59 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.239 0.543 . . . . 0.0 110.178 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' I' I ' 20' ' ' CYS . . . . . . . . . . . . . 11.3 t -82.77 155.18 24.38 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.112 -179.233 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' I' I ' 21' ' ' ASN . . . . . . . . . . . . . 5.0 m120 . . . . . 0 C--O 1.246 0.879 0 CA-C-O 118.427 -0.797 . . . . 0.0 110.59 179.798 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' J' J ' 1' ' ' PHE . . . . . . . . . . . . . 3.8 p90 . . . . . 0 N--CA 1.483 1.181 0 CA-C-O 121.681 0.753 . . . . 0.0 111.256 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' J' J ' 2' ' ' VAL . . . . . 0.451 HG11 ' O ' ' E' ' 7' ' ' CYS . 5.6 p -124.94 88.38 1.27 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 CA-C-O 121.945 0.879 . . . . 0.0 111.069 -179.758 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' J' J ' 3' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -167.09 -57.44 0.03 OUTLIER 'General case' 0 C--O 1.215 -0.728 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.267 -179.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' J' J ' 4' ' ' GLN . . . . . 0.718 ' HG3' HG11 ' I' ' 3' ' ' VAL . 43.7 tt0 -51.89 -36.61 49.33 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.942 0.401 . . . . 0.0 112.009 -179.633 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' J' J ' 5' ' ' HIS . . . . . 0.577 ' CE1' ' HA ' ' L' ' 17' ' ' LEU . 27.4 t60 -84.13 -5.65 59.28 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 -178.034 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' J' J ' 6' ' ' LEU . . . . . . . . . . . . . 13.5 mt -118.56 -42.05 2.78 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.703 0.763 . . . . 0.0 110.356 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' J' J ' 7' ' ' CYS . . . . . 0.52 ' SG ' HD21 ' J' ' 11' ' ' LEU . 15.6 t -67.95 -40.24 83.27 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.753 -1.112 . . . . 0.0 110.689 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' J' J ' 8' ' ' GLY . . . . . 0.522 ' O ' HG22 ' J' ' 12' ' ' VAL . . . -52.53 -34.71 43.27 Favored Glycine 0 C--N 1.336 0.545 0 CA-C-N 115.946 -0.57 . . . . 0.0 113.001 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' J' J ' 9' ' ' SER . . . . . 0.656 ' HB2' ' HG3' ' L' ' 13' ' ' GLU . 0.0 OUTLIER -58.3 -29.37 65.81 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 122.895 0.478 . . . . 0.0 111.852 179.922 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' J' J ' 10' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -94.41 -21.96 18.6 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 120.666 -0.414 . . . . 0.0 111.013 -179.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' J' J ' 11' ' ' LEU . . . . . 0.792 HD23 ' H3 ' ' I' ' 22' ' ' IPH . 9.2 mt -70.47 -39.26 74.34 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 177.509 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' J' J ' 12' ' ' VAL . . . . . 0.527 ' HA ' HD12 ' J' ' 15' ' ' LEU . 14.4 m -73.75 -33.73 38.75 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.12 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.775 179.468 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' J' J ' 13' ' ' GLU . . . . . 0.66 ' HG3' ' HB2' ' L' ' 9' ' ' SER . 33.0 tt0 -61.99 -36.97 83.1 Favored 'General case' 0 C--N 1.34 0.166 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 179.119 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' J' J ' 14' ' ' ALA . . . . . 0.477 ' O ' HG23 ' J' ' 18' ' ' VAL . . . -76.56 -32.8 58.41 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.705 178.24 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' J' J ' 15' ' ' LEU . . . . . 0.527 HD12 ' HA ' ' J' ' 12' ' ' VAL . 25.9 mt -58.21 -60.59 3.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.973 -179.717 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' J' J ' 16' ' ' TYR . . . . . 0.929 ' HB3' ' HE2' ' J' ' 24' ' ' PHE . 7.8 p90 -72.48 -9.08 58.11 Favored 'General case' 0 N--CA 1.462 0.149 0 C-N-CA 119.903 -0.719 . . . . 0.0 110.539 -179.522 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' J' J ' 17' ' ' LEU . . . . . 0.551 ' HA ' ' CE1' ' L' ' 5' ' ' HIS . 9.7 tt -73.73 -39.91 63.94 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 177.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' J' J ' 18' ' ' VAL . . . . . 0.477 HG23 ' O ' ' J' ' 14' ' ' ALA . 67.6 t -75.71 -43.67 40.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.177 -0.92 . . . . 0.0 109.799 178.485 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' J' J ' 19' ' ' CYS . . . . . 0.691 ' HB3' ' HB2' ' J' ' 22' ' ' ARG . 71.9 m -66.57 -40.5 89.0 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.911 -179.6 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' J' J ' 20' ' ' GLY . . . . . . . . . . . . . . . 70.96 -97.12 0.63 Allowed Glycine 0 CA--C 1.508 -0.401 0 C-N-CA 120.862 -0.685 . . . . 0.0 111.83 -179.479 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' J' J ' 21' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -89.1 -13.93 37.42 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 121.438 0.637 . . . . 0.0 109.629 179.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' J' J ' 22' ' ' ARG . . . . . 0.691 ' HB2' ' HB3' ' J' ' 19' ' ' CYS . 71.4 mtp180 -82.19 160.73 22.97 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.97 179.4 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' J' J ' 23' ' ' GLY . . . . . 0.701 ' HA2' ' HD2' ' L' ' 28' ' ' PRO . . . -109.01 -170.84 20.81 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.739 -0.743 . . . . 0.0 111.257 179.027 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' J' J ' 24' ' ' PHE . . . . . 0.929 ' HE2' ' HB3' ' J' ' 16' ' ' TYR . 29.3 p90 -160.65 159.54 30.49 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 117.287 0.543 . . . . 0.0 111.118 179.681 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' J' J ' 25' ' ' PHE . . . . . . . . . . . . . 15.3 m-30 -104.09 110.74 23.03 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 178.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' J' J ' 26' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -110.28 98.85 8.0 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.11 0.481 . . . . 0.0 111.721 -178.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' J' J ' 27' ' ' THR . . . . . 0.659 ' HA ' ' HA3' ' L' ' 23' ' ' GLY . 5.6 m -118.31 99.44 51.68 Favored Pre-proline 0 C--N 1.315 -0.918 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 177.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' J' J ' 28' ' ' PRO . . . . . 0.712 ' HD2' ' HA2' ' L' ' 23' ' ' GLY . 30.0 Cg_endo -64.52 -114.14 0.0 OUTLIER 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.938 2.425 . . . . 0.0 112.549 -178.403 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' J' J ' 29' ' ' LYS . . . . . 0.46 ' H ' ' HB2' ' J' ' 28' ' ' PRO . 76.2 tttt 72.14 -42.17 0.53 Allowed 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 122.989 0.516 . . . . 0.0 110.845 -179.549 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' J' J ' 30' ' ' THR . . . . . 0.406 ' H ' ' C ' ' J' ' 28' ' ' PRO . 29.7 m . . . . . 0 C--O 1.251 1.182 0 CA-C-O 117.95 -1.024 . . . . 0.0 108.792 178.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.573 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' K' K ' 2' ' ' ILE . . . . . . . . . . . . . 14.2 tt -66.74 -32.4 57.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 111.714 0.264 . . . . 0.0 111.714 -179.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' K' K ' 3' ' ' VAL . . . . . 0.746 HG11 ' HG3' ' L' ' 4' ' ' GLN . 52.5 t -68.38 -56.65 11.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 C-N-CA 120.999 -0.28 . . . . 0.0 111.634 -179.778 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' K' K ' 4' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -68.99 -12.45 61.69 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -179.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' K' K ' 5' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -90.32 -38.66 13.22 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.929 0.395 . . . . 0.0 110.797 179.555 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' K' K ' 6' ' ' CYS . . . . . . . . . . . . . 71.2 m -99.57 -28.46 13.2 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 113.38 0.882 . . . . 0.0 113.38 -178.111 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' K' K ' 7' ' ' CYS . . . . . 0.453 ' O ' HG11 ' H' ' 2' ' ' VAL . 8.4 t -95.95 40.24 1.12 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.382 0.61 . . . . 0.0 111.395 -179.261 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' K' K ' 8' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -121.54 -49.65 2.13 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 178.083 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' K' K ' 9' ' ' SER . . . . . . . . . . . . . 75.1 m -147.61 17.33 1.15 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.734 178.586 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' K' K ' 10' ' ' ILE . . . . . 0.416 HG23 ' C1 ' ' K' ' 22' ' ' IPH . 2.0 mp 71.08 132.89 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 CA-C-N 115.07 -0.968 . . . . 0.0 111.776 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' K' K ' 11' ' ' CYS . . . . . . . . . . . . . 41.2 m -81.73 154.37 26.06 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.551 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' K' K ' 12' ' ' SER . . . . . . . . . . . . . 34.8 t -79.48 161.98 25.72 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.56 178.505 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' K' K ' 13' ' ' LEU . . . . . . . . . . . . . 42.1 tp -55.41 -37.64 67.88 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.099 0.476 . . . . 0.0 111.135 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -76.74 -16.8 59.39 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.856 -179.148 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' K' K ' 15' ' ' GLN . . . . . 0.403 ' HA ' ' ND2' ' K' ' 18' ' ' ASN . 83.7 mt-30 -84.25 -41.21 17.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.993 0.425 . . . . 0.0 110.502 179.397 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' K' K ' 16' ' ' LEU . . . . . . . . . . . . . 59.4 mt -66.16 -34.16 77.42 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.722 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' K' K ' 17' ' ' GLU . . . . . . . . . . . . . 63.0 tt0 -67.39 -15.78 63.87 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.949 -0.3 . . . . 0.0 111.158 -179.305 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' K' K ' 18' ' ' ASN . . . . . 0.403 ' ND2' ' HA ' ' K' ' 15' ' ' GLN . 83.4 m-20 -69.66 -20.09 63.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.812 0.339 . . . . 0.0 110.735 179.016 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' K' K ' 19' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -100.38 -1.13 36.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.033 0.444 . . . . 0.0 110.358 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' K' K ' 20' ' ' CYS . . . . . . . . . . . . . 11.5 t -84.03 156.86 22.03 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.041 -179.284 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' K' K ' 21' ' ' ASN . . . . . . . . . . . . . 5.3 m120 . . . . . 0 C--O 1.248 0.975 0 CA-C-O 118.726 -0.654 . . . . 0.0 109.871 179.461 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' L' L ' 1' ' ' PHE . . . . . . . . . . . . . 3.2 p90 . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 121.885 0.85 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' L' L ' 2' ' ' VAL . . . . . 0.426 HG11 ' O ' ' C' ' 7' ' ' CYS . 6.0 p -121.74 91.05 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.882 0.848 . . . . 0.0 110.806 -179.625 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' L' L ' 3' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -169.35 -58.07 0.02 OUTLIER 'General case' 0 C--O 1.216 -0.681 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.215 -179.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' L' L ' 4' ' ' GLN . . . . . 0.746 ' HG3' HG11 ' K' ' 3' ' ' VAL . 45.3 tt0 -51.48 -37.15 47.52 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.97 0.414 . . . . 0.0 112.083 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' L' L ' 5' ' ' HIS . . . . . 0.551 ' CE1' ' HA ' ' J' ' 17' ' ' LEU . 26.4 t60 -83.66 -5.89 59.3 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 113.214 0.82 . . . . 0.0 113.214 -177.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' L' L ' 6' ' ' LEU . . . . . . . . . . . . . 14.1 mt -119.04 -40.33 2.85 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-O 121.707 0.765 . . . . 0.0 110.33 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' L' L ' 7' ' ' CYS . . . . . 0.532 ' SG ' HD21 ' L' ' 11' ' ' LEU . 17.1 t -69.37 -40.26 77.54 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.805 -1.089 . . . . 0.0 110.61 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' L' L ' 8' ' ' GLY . . . . . 0.516 ' O ' HG22 ' L' ' 12' ' ' VAL . . . -52.68 -34.27 43.48 Favored Glycine 0 C--N 1.334 0.469 0 CA-C-N 115.923 -0.58 . . . . 0.0 113.049 179.775 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' L' L ' 9' ' ' SER . . . . . 0.66 ' HB2' ' HG3' ' J' ' 13' ' ' GLU . 0.0 OUTLIER -58.64 -29.26 66.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.072 0.463 . . . . 0.0 111.879 -179.936 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' L' L ' 10' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -94.22 -22.6 18.31 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.085 -179.553 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' L' L ' 11' ' ' LEU . . . . . 0.8 HD23 ' H3 ' ' K' ' 22' ' ' IPH . 8.9 mt -70.06 -39.15 75.85 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 107.602 -1.258 . . . . 0.0 107.602 177.598 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' L' L ' 12' ' ' VAL . . . . . 0.516 HG22 ' O ' ' L' ' 8' ' ' GLY . 15.1 m -73.48 -34.31 42.24 Favored 'Isoleucine or valine' 0 C--O 1.232 0.184 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.963 179.402 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' L' L ' 13' ' ' GLU . . . . . 0.656 ' HG3' ' HB2' ' J' ' 9' ' ' SER . 33.0 tt0 -61.54 -36.74 81.46 Favored 'General case' 0 C--N 1.34 0.166 0 N-CA-C 108.582 -0.895 . . . . 0.0 108.582 179.278 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' L' L ' 14' ' ' ALA . . . . . 0.467 ' O ' HG23 ' L' ' 18' ' ' VAL . . . -76.87 -33.39 57.86 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.502 178.241 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' L' L ' 15' ' ' LEU . . . . . 0.511 HD12 ' HA ' ' L' ' 12' ' ' VAL . 27.9 mt -57.25 -60.77 3.13 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.122 0.416 . . . . 0.0 112.122 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' L' L ' 16' ' ' TYR . . . . . 0.934 ' HB3' ' HE2' ' L' ' 24' ' ' PHE . 8.2 p90 -72.45 -9.34 58.41 Favored 'General case' 0 C--N 1.333 -0.114 0 C-N-CA 120.078 -0.649 . . . . 0.0 110.627 -179.434 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' L' L ' 17' ' ' LEU . . . . . 0.577 ' HA ' ' CE1' ' J' ' 5' ' ' HIS . 9.8 tt -74.08 -38.39 63.93 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 177.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' L' L ' 18' ' ' VAL . . . . . 0.467 HG23 ' O ' ' L' ' 14' ' ' ALA . 73.5 t -77.4 -42.23 30.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.362 -0.836 . . . . 0.0 109.646 178.683 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' L' L ' 19' ' ' CYS . . . . . 0.714 ' HB3' ' HB2' ' L' ' 22' ' ' ARG . 70.9 m -68.06 -40.2 82.84 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.708 -179.5 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' L' L ' 20' ' ' GLY . . . . . . . . . . . . . . . 71.13 -96.06 0.6 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.009 -179.351 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' L' L ' 21' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -90.12 -14.43 33.69 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-O 121.46 0.648 . . . . 0.0 109.553 179.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' L' L ' 22' ' ' ARG . . . . . 0.714 ' HB2' ' HB3' ' L' ' 19' ' ' CYS . 70.9 mtp180 -81.74 160.62 23.58 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.026 179.35 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' L' L ' 23' ' ' GLY . . . . . 0.712 ' HA2' ' HD2' ' J' ' 28' ' ' PRO . . . -108.75 -169.97 20.95 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.725 -0.75 . . . . 0.0 111.259 179.052 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' L' L ' 24' ' ' PHE . . . . . 0.934 ' HE2' ' HB3' ' L' ' 16' ' ' TYR . 28.8 p90 -161.3 159.27 28.31 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 117.351 0.575 . . . . 0.0 111.005 179.572 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' L' L ' 25' ' ' PHE . . . . . . . . . . . . . 15.6 m-30 -104.27 108.13 19.37 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 179.094 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' L' L ' 26' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -107.8 99.53 8.99 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.305 0.574 . . . . 0.0 111.93 -178.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' L' L ' 27' ' ' THR . . . . . 0.652 ' HA ' ' HA3' ' J' ' 23' ' ' GLY . 4.7 m -118.6 99.8 51.33 Favored Pre-proline 0 C--N 1.315 -0.908 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 177.705 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' L' L ' 28' ' ' PRO . . . . . 0.701 ' HD2' ' HA2' ' J' ' 23' ' ' GLY . 32.0 Cg_endo -65.33 -114.74 0.0 OUTLIER 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.939 2.426 . . . . 0.0 112.407 -178.178 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' L' L ' 29' ' ' LYS . . . . . 0.474 ' H ' ' HB2' ' L' ' 28' ' ' PRO . 76.7 tttt 72.63 -40.36 0.47 Allowed 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 123.002 0.521 . . . . 0.0 110.784 -179.709 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' L' L ' 30' ' ' THR . . . . . 0.419 ' H ' ' C ' ' L' ' 28' ' ' PRO . 39.8 m . . . . . 0 C--O 1.251 1.164 0 CA-C-O 117.844 -1.074 . . . . 0.0 108.325 178.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' IPH . . . . . 0.811 ' H3 ' HD23 ' B' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 22' ' ' IPH . . . . . 0.814 ' H3 ' HD23 ' D' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 22' ' ' IPH . . . . . 0.813 ' H3 ' HD23 ' F' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 22' ' ' IPH . . . . . 0.821 ' H3 ' HD23 ' H' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' I' I ' 22' ' ' IPH . . . . . 0.792 ' H3 ' HD23 ' J' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' K' K ' 22' ' ' IPH . . . . . 0.8 ' H3 ' HD23 ' L' ' 11' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.773 0 N-CA-C 111.613 -0.595 . . . . 0.0 111.613 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.424 ' HB ' ' CE1' ' A' ' 19' ' ' TYR . 7.2 tt -59.08 -40.9 81.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.8 0.333 . . . . 0.0 111.531 -179.379 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.489 HG21 ' HA ' ' B' ' 28' ' ' PRO . 40.8 t -62.1 -28.69 44.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.221 -179.68 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -76.14 -73.18 0.28 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.874 0.369 . . . . 0.0 111.225 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.501 ' HA ' HG22 ' A' ' 8' ' ' THR . 16.5 pt20 -50.76 -46.14 59.29 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 113.215 0.82 . . . . 0.0 113.215 -178.368 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 84.6 m -71.11 -24.92 62.38 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 -178.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.559 ' HB2' HD11 ' B' ' 11' ' ' LEU . 8.9 t -107.69 18.64 21.16 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.454 -0.498 . . . . 0.0 111.192 -179.746 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.501 HG22 ' HA ' ' A' ' 5' ' ' GLN . 13.4 t -120.65 -43.54 2.48 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.35 178.773 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.472 ' O ' ' HB ' ' A' ' 10' ' ' ILE . 58.1 m -143.87 19.35 1.8 Allowed 'General case' 0 CA--C 1.529 0.173 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 179.247 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.949 HG13 HG12 ' F' ' 2' ' ' VAL . 57.6 mt 72.12 141.6 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 CA-C-O 121.269 0.557 . . . . 0.0 111.98 178.504 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 96.8 m -106.2 149.65 26.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.454 179.174 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 28.8 t -77.4 157.85 30.36 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 178.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.477 HD21 HD21 ' G' ' 13' ' ' LEU . 58.8 tp -52.49 -46.66 66.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.329 -179.744 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -63.61 -33.1 74.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.581 -179.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.54 ' O ' ' HB3' ' A' ' 18' ' ' ASN . 87.8 mt-30 -70.72 -37.02 73.47 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 179.097 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 87.8 mt -69.34 -39.67 78.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.619 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.472 ' HG3' ' O ' ' A' ' 13' ' ' LEU . 33.6 mt-10 -61.98 -27.07 68.59 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.144 0.497 . . . . 0.0 110.268 179.272 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.54 ' HB3' ' O ' ' A' ' 15' ' ' GLN . 10.9 t30 -61.32 -27.59 68.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.783 179.34 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.424 ' CE1' ' HB ' ' A' ' 2' ' ' ILE . 82.7 m-85 -95.88 -86.32 0.31 Allowed 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 178.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 16.0 t 54.4 -114.06 0.84 Allowed 'General case' 0 CA--C 1.532 0.281 0 O-C-N 123.847 0.717 . . . . 0.0 110.681 179.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.637 ' HB2' ' HA ' ' B' ' 24' ' ' PHE . 13.3 t30 . . . . . 0 C--O 1.245 0.827 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 179.108 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 2.7 p90 . . . . . 0 N--CA 1.48 1.072 0 CA-C-O 121.623 0.725 . . . . 0.0 111.447 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.976 HG12 HG13 ' I' ' 10' ' ' ILE . 16.3 m -130.53 97.51 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.701 0.763 . . . . 0.0 110.352 179.532 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . 0.54 ' O ' ' HB3' ' B' ' 7' ' ' CYS . 42.0 t30 -157.01 -52.81 0.08 Allowed 'General case' 0 C--O 1.217 -0.651 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.05 -179.409 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -58.78 -39.01 79.77 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.257 179.02 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . 0.716 ' HA ' ' HE1' ' D' ' 16' ' ' TYR . 7.9 t60 -77.23 -27.03 53.24 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.452 -179.388 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.632 HD13 ' HB2' ' J' ' 7' ' ' CYS . 36.5 mt -89.23 -60.5 1.93 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.694 0.759 . . . . 0.0 110.552 -179.076 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . 0.628 ' HB2' HD13 ' F' ' 6' ' ' LEU . 0.0 OUTLIER -61.8 -48.03 82.45 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 114.534 -1.212 . . . . 0.0 110.948 179.752 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . 0.7 ' HA2' ' HG ' ' B' ' 11' ' ' LEU . . . -59.41 -30.27 67.8 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 121.169 -0.539 . . . . 0.0 112.612 179.733 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . 0.456 ' OG ' ' HG3' ' D' ' 13' ' ' GLU . 0.3 OUTLIER -69.39 -10.23 57.05 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.941 0.401 . . . . 0.0 110.749 179.61 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -117.5 -9.15 10.89 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-O 120.766 0.317 . . . . 0.0 111.242 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.7 ' HG ' ' HA2' ' B' ' 8' ' ' GLY . 35.4 mt -69.23 -30.4 68.54 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 107.09 -1.448 . . . . 0.0 107.09 177.059 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.619 ' HB ' ' CZ ' ' B' ' 24' ' ' PHE . 10.7 m -68.19 -32.63 56.72 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 CA-C-N 114.596 -1.183 . . . . 0.0 109.89 177.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.457 ' HG3' ' OG ' ' D' ' 9' ' ' SER . 30.0 tt0 -64.45 -33.81 76.73 Favored 'General case' 0 C--O 1.231 0.101 0 N-CA-C 108.949 -0.759 . . . . 0.0 108.949 179.2 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.46 ' CB ' ' H3 ' ' A' ' 22' ' ' IPH . . . -72.5 -48.82 37.47 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.656 177.711 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 95.9 mt -59.16 -35.77 74.11 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.496 0.665 . . . . 0.0 110.014 178.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . 0.723 ' HE1' ' HA ' ' D' ' 5' ' ' HIS . 2.1 t80 -56.56 -40.49 75.26 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.63 -1.168 . . . . 0.0 110.241 179.702 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.4 ' HG ' ' CB ' ' H' ' 14' ' ' ALA . 4.0 mm? -73.67 -43.93 58.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.524 179.219 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.438 HG23 ' O ' ' B' ' 14' ' ' ALA . 56.9 t -60.55 -47.15 94.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.174 -179.603 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . 0.513 ' HB3' ' HB3' ' B' ' 22' ' ' ARG . 78.7 m -80.64 -30.62 36.62 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.66 -179.35 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . 0.426 ' HA2' ' HE1' ' D' ' 5' ' ' HIS . . . 73.09 -136.78 23.04 Favored Glycine 0 N--CA 1.447 -0.567 0 N-CA-C 110.329 -1.108 . . . . 0.0 110.329 -178.338 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -85.86 57.25 4.37 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.725 0.774 . . . . 0.0 108.961 178.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . 0.513 ' HB3' ' HB3' ' B' ' 19' ' ' CYS . 33.4 ttt180 -118.95 -49.33 2.42 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.988 -1.005 . . . . 0.0 110.303 -178.581 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . 0.921 ' HA2' ' HD2' ' D' ' 28' ' ' PRO . . . 111.84 178.36 20.08 Favored Glycine 0 N--CA 1.445 -0.721 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.067 -178.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . 0.637 ' HA ' ' HB2' ' A' ' 21' ' ' ASN . 1.5 p90 -166.04 165.47 17.87 Favored 'General case' 0 C--O 1.24 0.562 0 CA-C-O 121.054 0.454 . . . . 0.0 110.948 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 12.3 p90 -122.67 126.8 48.33 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 177.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.445 ' CD2' ' HD3' ' B' ' 28' ' ' PRO . 24.6 t80 -129.35 122.69 30.02 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.929 -0.308 . . . . 0.0 110.363 -178.37 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . 0.449 ' HA ' ' HA3' ' D' ' 23' ' ' GLY . 1.1 p -128.08 78.94 74.67 Favored Pre-proline 0 C--N 1.325 -0.457 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 -178.487 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . 0.891 ' HD2' ' HA2' ' D' ' 23' ' ' GLY . 89.0 Cg_endo -81.64 135.88 9.35 Favored 'Trans proline' 0 N--CA 1.461 -0.438 0 C-N-CA 122.539 2.159 . . . . 0.0 110.231 177.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -154.13 125.41 7.4 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 119.863 -0.735 . . . . 0.0 112.344 -178.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . 0.404 ' H ' ' HB3' ' D' ' 21' ' ' GLU . 1.4 p . . . . . 0 C--O 1.246 0.876 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 177.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.98 0 N-CA-C 112.161 -0.376 . . . . 0.0 112.161 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 2' ' ' ILE . . . . . 0.437 ' HB ' ' CE1' ' C' ' 19' ' ' TYR . 7.3 tt -58.05 -41.67 81.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.048 0.451 . . . . 0.0 111.643 -179.61 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 3' ' ' VAL . . . . . 0.489 HG21 ' HA ' ' D' ' 28' ' ' PRO . 39.8 t -60.62 -31.07 48.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.273 -179.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -74.66 -72.82 0.27 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.389 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 5' ' ' GLN . . . . . 0.502 ' HA ' HG22 ' C' ' 8' ' ' THR . 15.9 pt20 -51.58 -43.04 62.33 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 113.475 0.917 . . . . 0.0 113.475 -178.045 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 82.0 m -74.13 -24.54 59.44 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -178.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 7' ' ' CYS . . . . . 0.584 ' HB2' HD11 ' D' ' 11' ' ' LEU . 9.5 t -107.87 18.71 20.97 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.954 -179.677 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 8' ' ' THR . . . . . 0.502 HG22 ' HA ' ' C' ' 5' ' ' GLN . 12.3 t -120.3 -43.6 2.51 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.353 178.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 9' ' ' SER . . . . . 0.44 ' O ' ' HB ' ' C' ' 10' ' ' ILE . 63.7 m -144.85 21.13 1.63 Allowed 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 179.162 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . 0.936 HG13 HG12 ' L' ' 2' ' ' VAL . 57.0 mt 70.96 141.7 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 CA-C-O 121.352 0.596 . . . . 0.0 112.409 178.342 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 99.4 m -106.62 149.38 27.26 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.08 0.467 . . . . 0.0 110.476 179.011 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 40.9 t -77.21 157.18 31.01 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.507 178.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 13' ' ' LEU . . . . . 0.474 ' O ' ' HG3' ' C' ' 17' ' ' GLU . 58.1 tp -52.01 -46.75 65.08 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.505 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -64.14 -32.58 74.2 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.64 -179.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . 0.502 ' O ' ' HB3' ' C' ' 18' ' ' ASN . 88.4 mt-30 -70.65 -37.23 73.7 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.11 0.481 . . . . 0.0 109.862 179.145 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 87.9 mt -69.27 -39.41 78.41 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.789 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 17' ' ' GLU . . . . . 0.474 ' HG3' ' O ' ' C' ' 13' ' ' LEU . 40.6 mt-10 -61.78 -28.39 69.42 Favored 'General case' 0 N--CA 1.461 0.095 0 CA-C-O 120.961 0.41 . . . . 0.0 110.337 179.328 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 18' ' ' ASN . . . . . 0.502 ' HB3' ' O ' ' C' ' 15' ' ' GLN . 10.5 t30 -59.97 -28.96 68.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.778 179.699 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 19' ' ' TYR . . . . . 0.437 ' CE1' ' HB ' ' C' ' 2' ' ' ILE . 80.6 m-85 -94.27 -86.15 0.28 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.304 -0.407 . . . . 0.0 109.906 178.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 15.9 t 54.12 -113.33 0.77 Allowed 'General case' 0 CA--C 1.533 0.314 0 O-C-N 123.742 0.651 . . . . 0.0 110.541 179.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 21' ' ' ASN . . . . . 0.649 ' HB2' ' HA ' ' D' ' 24' ' ' PHE . 14.1 t30 . . . . . 0 C--O 1.243 0.739 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 179.14 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 2.8 p90 . . . . . 0 N--CA 1.481 1.093 0 CA-C-O 121.395 0.616 . . . . 0.0 111.523 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 2' ' ' VAL . . . . . 0.93 HG12 HG13 ' G' ' 10' ' ' ILE . 16.1 m -131.23 97.35 2.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.681 0.753 . . . . 0.0 110.35 179.336 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 3' ' ' ASN . . . . . 0.534 ' O ' ' HB3' ' D' ' 7' ' ' CYS . 42.4 t30 -156.77 -52.81 0.08 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.129 -179.688 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -58.4 -38.91 78.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.171 179.007 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 5' ' ' HIS . . . . . 0.723 ' HA ' ' HE1' ' B' ' 16' ' ' TYR . 8.6 t60 -77.4 -27.18 52.32 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.585 -179.282 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 6' ' ' LEU . . . . . 0.636 HD13 ' HB2' ' H' ' 7' ' ' CYS . 33.9 mt -89.36 -59.24 2.27 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.61 0.719 . . . . 0.0 110.631 -179.008 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 7' ' ' CYS . . . . . 0.633 ' HB2' HD13 ' L' ' 6' ' ' LEU . 0.0 OUTLIER -63.22 -47.88 80.66 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 114.685 -1.143 . . . . 0.0 110.784 179.916 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' D' D ' 8' ' ' GLY . . . . . 0.702 ' HA2' ' HG ' ' D' ' 11' ' ' LEU . . . -59.6 -29.75 67.44 Favored Glycine 0 C--N 1.331 0.302 0 C-N-CA 121.063 -0.589 . . . . 0.0 112.627 179.676 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 9' ' ' SER . . . . . 0.457 ' OG ' ' HG3' ' B' ' 13' ' ' GLU . 0.3 OUTLIER -69.57 -9.94 56.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.891 0.377 . . . . 0.0 110.776 179.474 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' D' D ' 10' ' ' HIS . . . . . . . . . . . . . 87.5 m-70 -118.07 -9.11 10.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.738 0.304 . . . . 0.0 111.148 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 11' ' ' LEU . . . . . 0.702 ' HG ' ' HA2' ' D' ' 8' ' ' GLY . 36.3 mt -69.24 -30.26 68.35 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 107.117 -1.438 . . . . 0.0 107.117 177.039 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . 0.618 ' HB ' ' CZ ' ' D' ' 24' ' ' PHE . 10.7 m -68.47 -32.47 55.51 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 CA-C-N 114.525 -1.216 . . . . 0.0 109.832 177.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 13' ' ' GLU . . . . . 0.456 ' HG3' ' OG ' ' B' ' 9' ' ' SER . 29.5 tt0 -64.4 -33.89 76.9 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 179.132 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 14' ' ' ALA . . . . . 0.454 ' CB ' ' H3 ' ' C' ' 22' ' ' IPH . . . -72.5 -48.84 37.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.696 177.771 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 94.7 mt -59.13 -35.78 74.07 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.429 0.633 . . . . 0.0 109.925 178.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 16' ' ' TYR . . . . . 0.716 ' HE1' ' HA ' ' B' ' 5' ' ' HIS . 2.0 t80 -56.28 -40.7 74.69 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.727 -1.124 . . . . 0.0 110.269 179.538 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . 0.404 ' HG ' ' CB ' ' J' ' 14' ' ' ALA . 4.1 mm? -73.71 -43.61 58.75 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.098 0.475 . . . . 0.0 110.645 179.122 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . 0.442 HG23 ' O ' ' D' ' 14' ' ' ALA . 55.5 t -61.02 -45.54 98.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.351 -179.636 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 19' ' ' CYS . . . . . 0.482 ' HB3' ' HB3' ' D' ' 22' ' ' ARG . 77.2 m -82.88 -28.66 29.87 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.729 -179.352 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 20' ' ' GLY . . . . . 0.445 ' HA2' ' HE1' ' B' ' 5' ' ' HIS . . . 71.24 -136.3 24.96 Favored Glycine 0 N--CA 1.447 -0.591 0 N-CA-C 110.691 -0.963 . . . . 0.0 110.691 -178.607 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 21' ' ' GLU . . . . . 0.404 ' HB3' ' H ' ' B' ' 30' ' ' THR . 22.5 mm-40 -86.31 57.54 4.54 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 178.45 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 22' ' ' ARG . . . . . 0.482 ' HB3' ' HB3' ' D' ' 19' ' ' CYS . 30.8 ttt180 -119.39 -49.65 2.36 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.143 -178.648 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 23' ' ' GLY . . . . . 0.891 ' HA2' ' HD2' ' B' ' 28' ' ' PRO . . . 112.17 178.13 19.94 Favored Glycine 0 N--CA 1.444 -0.785 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.141 -179.144 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 24' ' ' PHE . . . . . 0.649 ' HA ' ' HB2' ' C' ' 21' ' ' ASN . 1.5 p90 -165.99 164.99 18.29 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-O 121.168 0.509 . . . . 0.0 110.93 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 25' ' ' PHE . . . . . 0.4 ' CE1' ' HA ' ' C' ' 21' ' ' ASN . 12.0 p90 -121.95 128.22 51.25 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 177.735 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 26' ' ' TYR . . . . . 0.462 ' CD2' ' HD3' ' D' ' 28' ' ' PRO . 25.3 t80 -130.75 122.28 26.94 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.173 -0.306 . . . . 0.0 110.173 -178.247 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 27' ' ' THR . . . . . 0.455 ' HA ' ' HA3' ' B' ' 23' ' ' GLY . 1.7 p -127.42 78.39 74.69 Favored Pre-proline 0 C--N 1.326 -0.425 0 N-CA-C 113.451 0.908 . . . . 0.0 113.451 -178.604 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 28' ' ' PRO . . . . . 0.921 ' HD2' ' HA2' ' B' ' 23' ' ' GLY . 86.3 Cg_endo -81.11 135.58 9.82 Favored 'Trans proline' 0 N--CA 1.461 -0.441 0 C-N-CA 122.428 2.085 . . . . 0.0 110.418 177.755 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -153.43 127.05 8.74 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.122 -0.631 . . . . 0.0 112.458 -178.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 C--O 1.246 0.91 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.165 178.319 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' E' E ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.724 0 N-CA-C 111.902 -0.479 . . . . 0.0 111.902 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' E' E ' 2' ' ' ILE . . . . . 0.425 ' HB ' ' CE1' ' E' ' 19' ' ' TYR . 7.4 tt -59.49 -41.55 85.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.959 0.409 . . . . 0.0 111.358 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 3' ' ' VAL . . . . . 0.481 HG21 ' HA ' ' F' ' 28' ' ' PRO . 37.2 t -60.9 -29.66 45.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.057 0.456 . . . . 0.0 111.119 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 4' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -74.94 -73.9 0.22 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.853 0.359 . . . . 0.0 111.071 179.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 5' ' ' GLN . . . . . 0.526 ' HA ' HG22 ' E' ' 8' ' ' THR . 16.2 pt20 -51.16 -43.85 61.35 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 -178.359 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 6' ' ' CYS . . . . . . . . . . . . . 80.1 m -73.58 -24.78 60.12 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 -178.256 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 7' ' ' CYS . . . . . 0.586 ' HB2' HD11 ' F' ' 11' ' ' LEU . 9.1 t -107.38 18.65 21.31 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.463 -0.495 . . . . 0.0 111.161 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 8' ' ' THR . . . . . 0.526 HG22 ' HA ' ' E' ' 5' ' ' GLN . 11.8 t -120.46 -43.45 2.5 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.237 178.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 9' ' ' SER . . . . . 0.45 ' O ' ' HB ' ' E' ' 10' ' ' ILE . 47.6 m -145.1 21.65 1.57 Allowed 'General case' 0 C--O 1.233 0.232 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 179.178 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 10' ' ' ILE . . . . . 0.939 HG13 HG12 ' J' ' 2' ' ' VAL . 57.9 mt 70.58 141.2 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 CA-C-O 121.365 0.602 . . . . 0.0 112.407 178.156 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 11' ' ' CYS . . . . . . . . . . . . . 93.5 m -105.37 151.07 24.64 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.382 178.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 12' ' ' SER . . . . . . . . . . . . . 37.0 t -78.93 157.55 28.2 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 178.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 13' ' ' LEU . . . . . 0.471 HD21 HD21 ' K' ' 13' ' ' LEU . 57.9 tp -52.31 -46.77 66.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.876 0.37 . . . . 0.0 111.278 -179.546 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -63.85 -31.98 73.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.775 -179.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . 0.524 ' O ' ' HB3' ' E' ' 18' ' ' ASN . 88.7 mt-30 -71.56 -37.25 71.09 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.021 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 16' ' ' LEU . . . . . . . . . . . . . 87.0 mt -69.0 -40.14 78.89 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.762 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 17' ' ' GLU . . . . . 0.459 ' HG3' ' O ' ' E' ' 13' ' ' LEU . 38.8 mt-10 -61.31 -28.35 69.14 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.036 0.446 . . . . 0.0 110.312 179.273 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 18' ' ' ASN . . . . . 0.524 ' HB3' ' O ' ' E' ' 15' ' ' GLN . 10.8 t30 -59.13 -30.11 67.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.894 179.23 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 19' ' ' TYR . . . . . 0.425 ' CE1' ' HB ' ' E' ' 2' ' ' ILE . 78.2 m-85 -93.57 -87.14 0.25 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.309 -0.405 . . . . 0.0 109.978 178.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 20' ' ' CYS . . . . . . . . . . . . . 17.6 t 54.98 -113.57 0.8 Allowed 'General case' 0 CA--C 1.532 0.275 0 O-C-N 123.706 0.629 . . . . 0.0 110.521 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 21' ' ' ASN . . . . . 0.617 ' HB2' ' HA ' ' F' ' 24' ' ' PHE . 14.9 t30 . . . . . 0 C--O 1.248 0.977 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 179.308 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 1' ' ' PHE . . . . . . . . . . . . . 2.5 p90 . . . . . 0 N--CA 1.481 1.097 0 CA-C-O 121.426 0.631 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' F' F ' 2' ' ' VAL . . . . . 0.949 HG12 HG13 ' A' ' 10' ' ' ILE . 16.1 m -131.04 97.79 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.888 0.852 . . . . 0.0 110.261 179.596 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' F' F ' 3' ' ' ASN . . . . . 0.552 ' O ' ' HB3' ' F' ' 7' ' ' CYS . 43.2 t30 -157.36 -52.55 0.07 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.272 -0.877 . . . . 0.0 109.111 -179.492 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' F' F ' 4' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -58.88 -38.87 79.79 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.856 0.36 . . . . 0.0 111.201 179.076 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 5' ' ' HIS . . . . . 0.718 ' HA ' ' HE1' ' H' ' 16' ' ' TYR . 8.1 t60 -77.26 -27.61 53.24 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.519 -179.252 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' F' F ' 6' ' ' LEU . . . . . 0.628 HD13 ' HB2' ' B' ' 7' ' ' CYS . 35.6 mt -88.75 -59.69 2.16 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.678 0.751 . . . . 0.0 110.631 -179.084 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' F' F ' 7' ' ' CYS . . . . . 0.626 ' HB2' HD13 ' J' ' 6' ' ' LEU . 0.0 OUTLIER -62.63 -48.23 80.3 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 114.561 -1.2 . . . . 0.0 110.956 179.717 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' F' F ' 8' ' ' GLY . . . . . 0.692 ' HA2' ' HG ' ' F' ' 11' ' ' LEU . . . -59.28 -30.03 66.96 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 121.054 -0.593 . . . . 0.0 112.621 179.687 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' F' F ' 9' ' ' SER . . . . . 0.467 ' OG ' ' HG3' ' H' ' 13' ' ' GLU . 0.3 OUTLIER -69.58 -9.64 54.87 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.975 0.416 . . . . 0.0 110.655 179.605 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' F' F ' 10' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -118.24 -8.94 10.54 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-O 120.754 0.311 . . . . 0.0 111.128 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 11' ' ' LEU . . . . . 0.692 ' HG ' ' HA2' ' F' ' 8' ' ' GLY . 35.7 mt -69.66 -30.27 67.92 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 107.048 -1.464 . . . . 0.0 107.048 177.051 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' F' F ' 12' ' ' VAL . . . . . 0.617 ' HB ' ' CZ ' ' F' ' 24' ' ' PHE . 10.6 m -68.42 -32.39 55.29 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.321 0 CA-C-N 114.667 -1.151 . . . . 0.0 109.756 177.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' F' F ' 13' ' ' GLU . . . . . 0.473 ' HG3' ' OG ' ' H' ' 9' ' ' SER . 29.9 tt0 -64.42 -33.55 76.12 Favored 'General case' 0 C--N 1.334 -0.092 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 179.136 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' F' F ' 14' ' ' ALA . . . . . 0.463 ' CB ' ' H3 ' ' E' ' 22' ' ' IPH . . . -72.69 -49.06 33.91 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.594 177.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' F' F ' 15' ' ' LEU . . . . . . . . . . . . . 93.8 mt -58.99 -35.64 73.56 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.949 178.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 16' ' ' TYR . . . . . 0.713 ' HE1' ' HA ' ' H' ' 5' ' ' HIS . 2.0 t80 -56.72 -40.03 74.96 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 114.861 -1.063 . . . . 0.0 110.22 179.645 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' F' F ' 17' ' ' LEU . . . . . 0.4 ' HG ' ' CB ' ' L' ' 14' ' ' ALA . 4.0 mm? -74.36 -43.57 55.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.49 179.203 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . 0.427 HG23 ' O ' ' F' ' 14' ' ' ALA . 60.7 t -60.29 -47.44 92.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.319 -179.746 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' F' F ' 19' ' ' CYS . . . . . 0.496 ' HB3' ' HB3' ' F' ' 22' ' ' ARG . 77.1 m -80.66 -30.2 36.57 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.571 -179.268 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' F' F ' 20' ' ' GLY . . . . . 0.46 ' HA2' ' HE1' ' H' ' 5' ' ' HIS . . . 72.99 -135.79 21.87 Favored Glycine 0 N--CA 1.446 -0.692 0 N-CA-C 110.535 -1.026 . . . . 0.0 110.535 -178.582 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' F' F ' 21' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -87.04 57.89 4.75 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 178.285 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 22' ' ' ARG . . . . . 0.496 ' HB3' ' HB3' ' F' ' 19' ' ' CYS . 31.7 ttt180 -119.97 -49.27 2.31 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.124 -178.63 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' F' F ' 23' ' ' GLY . . . . . 0.925 ' HA2' ' HD2' ' H' ' 28' ' ' PRO . . . 111.69 178.33 20.14 Favored Glycine 0 N--CA 1.444 -0.823 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.084 -179.137 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' F' F ' 24' ' ' PHE . . . . . 0.617 ' CZ ' ' HB ' ' F' ' 12' ' ' VAL . 1.6 p90 -166.07 165.2 17.99 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-O 121.179 0.514 . . . . 0.0 110.913 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' F' F ' 25' ' ' PHE . . . . . 0.402 ' CE1' ' HA ' ' E' ' 21' ' ' ASN . 11.7 p90 -122.2 127.54 50.12 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 177.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' F' F ' 26' ' ' TYR . . . . . 0.478 ' CD2' ' HD3' ' F' ' 28' ' ' PRO . 24.7 t80 -130.02 122.32 28.18 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 -178.459 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' F' F ' 27' ' ' THR . . . . . 0.459 ' HA ' ' HA3' ' H' ' 23' ' ' GLY . 1.2 p -127.79 78.05 75.52 Favored Pre-proline 0 C--N 1.325 -0.481 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -178.375 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' F' F ' 28' ' ' PRO . . . . . 0.916 ' HD2' ' HA2' ' H' ' 23' ' ' GLY . 88.1 Cg_endo -80.54 136.88 11.25 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.531 2.154 . . . . 0.0 110.373 177.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' F' F ' 29' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -154.77 127.97 8.35 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.232 -0.587 . . . . 0.0 112.245 -179.092 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 30' ' ' THR . . . . . . . . . . . . . 1.6 p . . . . . 0 C--O 1.243 0.758 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 177.802 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' G' G ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.678 0 N-CA-C 111.875 -0.49 . . . . 0.0 111.875 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' G' G ' 2' ' ' ILE . . . . . . . . . . . . . 7.6 tt -58.58 -41.06 80.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 121.142 0.496 . . . . 0.0 111.792 -179.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 3' ' ' VAL . . . . . 0.5 HG21 ' HA ' ' H' ' 28' ' ' PRO . 39.8 t -62.01 -28.31 44.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.238 -179.748 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' G' G ' 4' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -76.3 -73.5 0.27 Allowed 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 120.742 0.306 . . . . 0.0 110.992 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 5' ' ' GLN . . . . . 0.515 ' HA ' HG22 ' G' ' 8' ' ' THR . 16.3 pt20 -50.86 -45.0 59.68 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 113.353 0.871 . . . . 0.0 113.353 -178.232 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' G' G ' 6' ' ' CYS . . . . . . . . . . . . . 83.4 m -72.56 -23.77 61.02 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 -178.044 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 7' ' ' CYS . . . . . 0.563 ' HB2' HD11 ' H' ' 11' ' ' LEU . 8.9 t -108.19 17.0 22.76 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.068 0.461 . . . . 0.0 110.946 -179.732 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' G' G ' 8' ' ' THR . . . . . 0.515 HG22 ' HA ' ' G' ' 5' ' ' GLN . 13.8 t -118.75 -43.82 2.66 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.336 178.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' G' G ' 9' ' ' SER . . . . . 0.439 ' O ' ' HB ' ' G' ' 10' ' ' ILE . 71.5 m -144.53 21.39 1.68 Allowed 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 179.523 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' G' G ' 10' ' ' ILE . . . . . 0.93 HG13 HG12 ' D' ' 2' ' ' VAL . 58.2 mt 70.77 140.93 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 CA-C-O 121.346 0.593 . . . . 0.0 112.174 178.309 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' G' G ' 11' ' ' CYS . . . . . . . . . . . . . 93.6 m -105.85 150.63 25.42 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.423 178.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 12' ' ' SER . . . . . . . . . . . . . 39.6 t -78.18 157.53 29.35 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.323 178.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 13' ' ' LEU . . . . . 0.477 HD21 HD21 ' A' ' 13' ' ' LEU . 58.3 tp -52.47 -47.22 66.63 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 122.694 0.398 . . . . 0.0 111.441 -179.665 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -63.69 -33.39 75.54 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.423 -179.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 15' ' ' GLN . . . . . 0.518 ' O ' ' HB3' ' G' ' 18' ' ' ASN . 87.6 mt-30 -70.05 -37.31 75.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.891 0.377 . . . . 0.0 110.051 178.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' G' G ' 16' ' ' LEU . . . . . . . . . . . . . 86.9 mt -69.04 -39.01 79.44 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.685 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 17' ' ' GLU . . . . . 0.466 ' HG3' ' O ' ' G' ' 13' ' ' LEU . 38.0 mt-10 -62.39 -27.74 69.29 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.349 179.416 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' G' G ' 18' ' ' ASN . . . . . 0.518 ' HB3' ' O ' ' G' ' 15' ' ' GLN . 10.1 t30 -60.21 -29.34 68.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.537 179.461 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' G' G ' 19' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -94.05 -86.54 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.096 178.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 20' ' ' CYS . . . . . . . . . . . . . 16.8 t 54.07 -113.81 0.81 Allowed 'General case' 0 CA--C 1.533 0.312 0 O-C-N 123.599 0.562 . . . . 0.0 110.859 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 21' ' ' ASN . . . . . 0.653 ' HB2' ' HA ' ' H' ' 24' ' ' PHE . 12.7 t30 . . . . . 0 C--O 1.247 0.963 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 179.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' H' H ' 1' ' ' PHE . . . . . . . . . . . . . 2.4 p90 . . . . . 0 N--CA 1.479 1.013 0 CA-C-O 121.527 0.68 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' H' H ' 2' ' ' VAL . . . . . 0.957 HG12 HG13 ' K' ' 10' ' ' ILE . 16.4 m -129.48 97.16 3.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.801 0.81 . . . . 0.0 110.47 179.683 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' H' H ' 3' ' ' ASN . . . . . 0.545 ' O ' ' HB3' ' H' ' 7' ' ' CYS . 42.2 t30 -156.6 -52.82 0.08 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.467 -0.788 . . . . 0.0 108.975 -179.768 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' H' H ' 4' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -58.49 -38.66 78.11 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.895 0.379 . . . . 0.0 111.26 179.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' H' H ' 5' ' ' HIS . . . . . 0.713 ' HA ' ' HE1' ' F' ' 16' ' ' TYR . 7.8 t60 -77.66 -26.78 50.63 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.764 -179.258 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' H' H ' 6' ' ' LEU . . . . . 0.622 HD13 ' HB2' ' L' ' 7' ' ' CYS . 34.6 mt -89.54 -59.36 2.23 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.635 0.731 . . . . 0.0 110.55 -179.162 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' H' H ' 7' ' ' CYS . . . . . 0.636 ' HB2' HD13 ' D' ' 6' ' ' LEU . 0.0 OUTLIER -62.98 -48.04 80.56 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.5 -1.227 . . . . 0.0 110.889 179.889 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' H' H ' 8' ' ' GLY . . . . . 0.718 ' HA2' ' HG ' ' H' ' 11' ' ' LEU . . . -59.7 -29.69 67.62 Favored Glycine 0 C--N 1.331 0.282 0 C-N-CA 121.07 -0.586 . . . . 0.0 112.63 179.716 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' H' H ' 9' ' ' SER . . . . . 0.473 ' OG ' ' HG3' ' F' ' 13' ' ' GLU . 0.3 OUTLIER -69.71 -9.77 55.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.972 0.415 . . . . 0.0 110.556 179.551 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' H' H ' 10' ' ' HIS . . . . . . . . . . . . . 87.2 m-70 -118.04 -9.42 10.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.129 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' H' H ' 11' ' ' LEU . . . . . 0.718 ' HG ' ' HA2' ' H' ' 8' ' ' GLY . 35.2 mt -69.06 -30.05 68.3 Favored 'General case' 0 CA--C 1.519 -0.245 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 177.124 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' H' H ' 12' ' ' VAL . . . . . 0.622 ' HB ' ' CZ ' ' H' ' 24' ' ' PHE . 10.9 m -68.57 -32.53 55.6 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 CA-C-N 114.599 -1.182 . . . . 0.0 109.795 177.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' H' H ' 13' ' ' GLU . . . . . 0.467 ' HG3' ' OG ' ' F' ' 9' ' ' SER . 29.5 tt0 -64.22 -33.92 76.91 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 179.119 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' H' H ' 14' ' ' ALA . . . . . 0.464 ' CB ' ' H3 ' ' G' ' 22' ' ' IPH . . . -72.52 -49.0 35.86 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.509 -0.768 . . . . 0.0 109.654 177.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' H' H ' 15' ' ' LEU . . . . . . . . . . . . . 95.5 mt -58.98 -35.58 73.44 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.41 0.624 . . . . 0.0 110.032 178.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' H' H ' 16' ' ' TYR . . . . . 0.718 ' HE1' ' HA ' ' F' ' 5' ' ' HIS . 2.1 t80 -56.85 -40.24 75.73 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.787 -1.097 . . . . 0.0 110.286 179.711 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -74.19 -43.11 58.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.506 179.183 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . 0.433 HG23 ' O ' ' H' ' 14' ' ' ALA . 58.0 t -61.31 -46.67 96.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.237 -179.667 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' H' H ' 19' ' ' CYS . . . . . 0.501 ' HB3' ' HB3' ' H' ' 22' ' ' ARG . 76.9 m -80.91 -30.64 35.38 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.614 -179.373 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' H' H ' 20' ' ' GLY . . . . . 0.422 ' HA2' ' HE1' ' F' ' 5' ' ' HIS . . . 73.49 -135.79 21.28 Favored Glycine 0 N--CA 1.447 -0.587 0 N-CA-C 110.598 -1.001 . . . . 0.0 110.598 -178.566 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' H' H ' 21' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -86.96 56.89 4.21 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 178.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' H' H ' 22' ' ' ARG . . . . . 0.501 ' HB3' ' HB3' ' H' ' 19' ' ' CYS . 31.9 ttt180 -118.72 -50.59 2.4 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.91 -1.041 . . . . 0.0 110.057 -178.701 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' H' H ' 23' ' ' GLY . . . . . 0.916 ' HA2' ' HD2' ' F' ' 28' ' ' PRO . . . 112.98 179.01 19.54 Favored Glycine 0 N--CA 1.443 -0.853 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.066 -179.216 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' H' H ' 24' ' ' PHE . . . . . 0.653 ' HA ' ' HB2' ' G' ' 21' ' ' ASN . 1.6 p90 -166.11 166.2 17.25 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 121.076 0.465 . . . . 0.0 111.032 179.654 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' H' H ' 25' ' ' PHE . . . . . . . . . . . . . 10.8 p90 -122.99 128.57 50.38 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 177.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' H' H ' 26' ' ' TYR . . . . . 0.452 ' CD2' ' HD3' ' H' ' 28' ' ' PRO . 26.0 t80 -131.43 121.09 23.98 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 121.067 -0.253 . . . . 0.0 110.332 -178.252 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' H' H ' 27' ' ' THR . . . . . 0.453 ' HA ' ' HA3' ' F' ' 23' ' ' GLY . 1.4 p -126.4 79.07 71.14 Favored Pre-proline 0 C--N 1.327 -0.411 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 -178.718 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' H' H ' 28' ' ' PRO . . . . . 0.925 ' HD2' ' HA2' ' F' ' 23' ' ' GLY . 91.1 Cg_endo -81.1 136.17 10.14 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 122.481 2.121 . . . . 0.0 110.179 177.743 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' H' H ' 29' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -154.45 126.27 7.63 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.137 -0.625 . . . . 0.0 112.415 -178.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' H' H ' 30' ' ' THR . . . . . . . . . . . . . 1.4 p . . . . . 0 C--O 1.247 0.924 0 CA-C-N 115.241 -0.89 . . . . 0.0 108.655 177.912 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' I' I ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.826 0 N-CA-C 111.607 -0.597 . . . . 0.0 111.607 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' I' I ' 2' ' ' ILE . . . . . 0.432 ' HB ' ' CE1' ' I' ' 19' ' ' TYR . 6.9 tt -59.27 -41.15 83.16 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 CA-C-O 120.8 0.333 . . . . 0.0 111.673 -179.695 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' I' I ' 3' ' ' VAL . . . . . 0.489 HG21 ' HA ' ' J' ' 28' ' ' PRO . 39.1 t -61.12 -30.18 47.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 120.972 0.415 . . . . 0.0 111.401 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' I' I ' 4' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -74.63 -73.78 0.22 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.24 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 5' ' ' GLN . . . . . 0.52 ' HA ' HG22 ' I' ' 8' ' ' THR . 16.2 pt20 -51.04 -43.4 60.92 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -178.191 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' I' I ' 6' ' ' CYS . . . . . . . . . . . . . 80.5 m -73.98 -23.88 59.53 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 -178.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 7' ' ' CYS . . . . . 0.573 ' HB2' HD11 ' J' ' 11' ' ' LEU . 9.0 t -108.25 18.25 21.29 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.428 -0.509 . . . . 0.0 111.034 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' I' I ' 8' ' ' THR . . . . . 0.52 HG22 ' HA ' ' I' ' 5' ' ' GLN . 14.4 t -119.47 -44.38 2.56 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.416 178.588 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' I' I ' 9' ' ' SER . . . . . 0.436 ' O ' ' HB ' ' I' ' 10' ' ' ILE . 57.7 m -144.31 21.99 1.7 Allowed 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 179.262 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' I' I ' 10' ' ' ILE . . . . . 0.976 HG13 HG12 ' B' ' 2' ' ' VAL . 54.6 mt 70.09 140.5 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 CA-C-O 121.223 0.535 . . . . 0.0 112.395 178.17 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' I' I ' 11' ' ' CYS . . . . . . . . . . . . . 97.6 m -105.14 149.65 25.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.693 178.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 12' ' ' SER . . . . . . . . . . . . . 33.4 t -77.54 157.47 30.34 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.551 -0.536 . . . . 0.0 109.551 179.009 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 13' ' ' LEU . . . . . 0.464 HD21 HD21 ' C' ' 13' ' ' LEU . 58.1 tp -52.13 -47.06 65.55 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 123.33 0.394 . . . . 0.0 111.377 -179.572 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -62.97 -34.41 77.46 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.561 -179.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 15' ' ' GLN . . . . . 0.532 ' O ' ' HB3' ' I' ' 18' ' ' ASN . 87.9 mt-30 -69.08 -38.38 78.96 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 178.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' I' I ' 16' ' ' LEU . . . . . . . . . . . . . 86.1 mt -68.14 -39.32 82.71 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.991 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 17' ' ' GLU . . . . . 0.459 ' HG3' ' O ' ' I' ' 13' ' ' LEU . 37.1 mt-10 -62.2 -26.72 68.51 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.083 0.468 . . . . 0.0 110.313 179.367 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' I' I ' 18' ' ' ASN . . . . . 0.532 ' HB3' ' O ' ' I' ' 15' ' ' GLN . 9.6 t30 -61.41 -29.45 69.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.601 179.644 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' I' I ' 19' ' ' TYR . . . . . 0.432 ' CE1' ' HB ' ' I' ' 2' ' ' ILE . 77.9 m-85 -93.87 -86.18 0.27 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.358 -0.383 . . . . 0.0 109.996 179.036 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' I' I ' 20' ' ' CYS . . . . . . . . . . . . . 16.0 t 54.1 -113.54 0.79 Allowed 'General case' 0 CA--C 1.534 0.33 0 O-C-N 123.609 0.568 . . . . 0.0 110.672 179.614 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 21' ' ' ASN . . . . . 0.629 ' HB2' ' HA ' ' J' ' 24' ' ' PHE . 15.6 t30 . . . . . 0 C--O 1.246 0.885 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 179.175 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' J' J ' 1' ' ' PHE . . . . . . . . . . . . . 2.4 p90 . . . . . 0 N--CA 1.48 1.025 0 CA-C-O 121.36 0.6 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' J' J ' 2' ' ' VAL . . . . . 0.939 HG12 HG13 ' E' ' 10' ' ' ILE . 16.0 m -131.81 97.15 2.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.878 0.847 . . . . 0.0 110.327 179.45 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' J' J ' 3' ' ' ASN . . . . . 0.558 ' O ' ' HB3' ' J' ' 7' ' ' CYS . 41.6 t30 -156.83 -51.95 0.08 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.109 -179.526 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' J' J ' 4' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -59.22 -38.78 80.78 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.137 179.081 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' J' J ' 5' ' ' HIS . . . . . 0.73 ' HA ' ' HE1' ' L' ' 16' ' ' TYR . 8.4 t60 -77.51 -27.48 51.77 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.49 -179.409 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' J' J ' 6' ' ' LEU . . . . . 0.626 HD13 ' HB2' ' F' ' 7' ' ' CYS . 35.2 mt -88.95 -59.15 2.3 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.647 0.736 . . . . 0.0 110.773 -178.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' J' J ' 7' ' ' CYS . . . . . 0.632 ' HB2' HD13 ' B' ' 6' ' ' LEU . 0.0 OUTLIER -63.44 -47.54 81.45 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 114.601 -1.181 . . . . 0.0 110.954 179.718 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' J' J ' 8' ' ' GLY . . . . . 0.693 ' HA2' ' HG ' ' J' ' 11' ' ' LEU . . . -59.46 -30.46 68.3 Favored Glycine 0 C--N 1.33 0.24 0 C-N-CA 121.079 -0.581 . . . . 0.0 112.443 179.576 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' J' J ' 9' ' ' SER . . . . . 0.474 ' OG ' ' HG3' ' L' ' 13' ' ' GLU . 0.3 OUTLIER -69.25 -9.87 55.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.871 0.367 . . . . 0.0 110.757 179.675 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' J' J ' 10' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -117.96 -9.41 10.6 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.149 179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' J' J ' 11' ' ' LEU . . . . . 0.693 ' HG ' ' HA2' ' J' ' 8' ' ' GLY . 34.9 mt -69.18 -29.82 67.88 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 177.046 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' J' J ' 12' ' ' VAL . . . . . 0.62 ' HB ' ' CZ ' ' J' ' 24' ' ' PHE . 11.1 m -68.74 -32.5 55.18 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 CA-C-N 114.701 -1.136 . . . . 0.0 109.774 177.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' J' J ' 13' ' ' GLU . . . . . 0.472 ' HG3' ' OG ' ' L' ' 9' ' ' SER . 29.9 tt0 -64.32 -33.88 76.86 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 179.272 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' J' J ' 14' ' ' ALA . . . . . 0.468 ' CB ' ' H3 ' ' I' ' 22' ' ' IPH . . . -72.33 -48.86 38.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.832 177.76 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' J' J ' 15' ' ' LEU . . . . . . . . . . . . . 93.9 mt -59.16 -35.89 74.32 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.463 0.649 . . . . 0.0 109.905 178.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' J' J ' 16' ' ' TYR . . . . . 0.716 ' HE1' ' HA ' ' L' ' 5' ' ' HIS . 2.1 t80 -56.38 -40.27 74.3 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.681 -1.145 . . . . 0.0 110.302 179.623 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' J' J ' 17' ' ' LEU . . . . . 0.413 ' HG ' ' CB ' ' D' ' 14' ' ' ALA . 4.1 mm? -74.36 -43.88 54.69 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.396 179.179 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' J' J ' 18' ' ' VAL . . . . . 0.428 HG23 ' O ' ' J' ' 14' ' ' ALA . 57.5 t -59.98 -48.1 89.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.158 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' J' J ' 19' ' ' CYS . . . . . 0.497 ' HB3' ' HB3' ' J' ' 22' ' ' ARG . 79.0 m -79.43 -32.22 42.77 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.772 -179.428 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' J' J ' 20' ' ' GLY . . . . . 0.423 ' HA2' ' HE1' ' L' ' 5' ' ' HIS . . . 74.72 -136.15 20.39 Favored Glycine 0 N--CA 1.448 -0.551 0 N-CA-C 110.372 -1.091 . . . . 0.0 110.372 -178.626 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' J' J ' 21' ' ' GLU . . . . . 0.42 ' HB3' ' H ' ' L' ' 30' ' ' THR . 22.2 mm-40 -86.93 57.99 4.82 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 178.352 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' J' J ' 22' ' ' ARG . . . . . 0.497 ' HB3' ' HB3' ' J' ' 19' ' ' CYS . 31.9 ttt180 -119.7 -49.13 2.35 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.105 -178.536 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' J' J ' 23' ' ' GLY . . . . . 0.899 ' HA2' ' HD2' ' L' ' 28' ' ' PRO . . . 111.81 178.87 20.06 Favored Glycine 0 N--CA 1.444 -0.776 0 CA-C-N 115.164 -0.925 . . . . 0.0 111.126 -178.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' J' J ' 24' ' ' PHE . . . . . 0.629 ' HA ' ' HB2' ' I' ' 21' ' ' ASN . 1.5 p90 -166.79 164.86 16.53 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-O 121.127 0.489 . . . . 0.0 110.956 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' J' J ' 25' ' ' PHE . . . . . . . . . . . . . 11.6 p90 -121.99 127.53 50.42 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 177.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' J' J ' 26' ' ' TYR . . . . . 0.477 ' CD2' ' HD3' ' J' ' 28' ' ' PRO . 24.8 t80 -130.3 121.23 25.67 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.489 -178.36 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' J' J ' 27' ' ' THR . . . . . 0.432 ' HA ' ' HA3' ' L' ' 23' ' ' GLY . 1.4 p -126.55 78.34 72.46 Favored Pre-proline 0 CA--C 1.537 0.471 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 -178.474 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' J' J ' 28' ' ' PRO . . . . . 0.918 ' HD2' ' HA2' ' L' ' 23' ' ' GLY . 89.6 Cg_endo -80.91 135.89 10.22 Favored 'Trans proline' 0 N--CA 1.46 -0.452 0 C-N-CA 122.276 1.984 . . . . 0.0 110.28 177.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' J' J ' 29' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -153.6 127.78 9.08 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.294 -0.562 . . . . 0.0 112.263 -178.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' J' J ' 30' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 C--O 1.247 0.962 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 178.145 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' K' K ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.948 0 N-CA-C 112.278 -0.329 . . . . 0.0 112.278 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' K' K ' 2' ' ' ILE . . . . . 0.438 ' HB ' ' CE1' ' K' ' 19' ' ' TYR . 7.0 tt -59.17 -41.34 83.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.108 0.48 . . . . 0.0 111.517 -179.568 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' K' K ' 3' ' ' VAL . . . . . 0.479 HG21 ' HA ' ' L' ' 28' ' ' PRO . 40.3 t -60.92 -30.71 48.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.212 -179.518 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' K' K ' 4' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -74.56 -73.1 0.25 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.536 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' K' K ' 5' ' ' GLN . . . . . 0.526 ' HA ' HG22 ' K' ' 8' ' ' THR . 15.9 pt20 -51.28 -43.48 61.6 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 -178.063 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' K' K ' 6' ' ' CYS . . . . . . . . . . . . . 79.0 m -73.56 -24.82 60.15 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 -178.115 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' K' K ' 7' ' ' CYS . . . . . 0.556 ' HB2' HD11 ' L' ' 11' ' ' LEU . 9.0 t -107.43 18.24 21.79 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.514 -0.474 . . . . 0.0 111.118 -179.772 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' K' K ' 8' ' ' THR . . . . . 0.526 HG22 ' HA ' ' K' ' 5' ' ' GLN . 14.2 t -119.75 -44.06 2.55 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 120.581 -0.448 . . . . 0.0 110.195 178.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' K' K ' 9' ' ' SER . . . . . 0.453 ' O ' ' HB ' ' K' ' 10' ' ' ILE . 62.3 m -144.17 21.25 1.74 Allowed 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 179.448 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' K' K ' 10' ' ' ILE . . . . . 0.957 HG13 HG12 ' H' ' 2' ' ' VAL . 55.9 mt 70.77 140.62 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 CA-C-O 121.247 0.546 . . . . 0.0 112.294 178.278 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' K' K ' 11' ' ' CYS . . . . . . . . . . . . . 94.9 m -105.31 150.32 25.28 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.643 178.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' K' K ' 12' ' ' SER . . . . . . . . . . . . . 33.3 t -77.68 157.78 29.99 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 178.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' K' K ' 13' ' ' LEU . . . . . 0.471 HD21 HD21 ' E' ' 13' ' ' LEU . 58.2 tp -52.63 -46.77 67.23 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.932 0.396 . . . . 0.0 111.312 -179.811 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -64.15 -31.97 73.37 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.582 -179.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' K' K ' 15' ' ' GLN . . . . . 0.506 ' O ' ' HB3' ' K' ' 18' ' ' ASN . 87.3 mt-30 -71.65 -36.46 70.71 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.943 0.401 . . . . 0.0 110.048 179.054 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' K' K ' 16' ' ' LEU . . . . . . . . . . . . . 87.8 mt -69.71 -39.4 76.88 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.734 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' K' K ' 17' ' ' GLU . . . . . 0.451 ' HG3' ' O ' ' K' ' 13' ' ' LEU . 40.9 mt-10 -61.95 -27.59 68.94 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 121.098 0.475 . . . . 0.0 110.415 179.19 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' K' K ' 18' ' ' ASN . . . . . 0.506 ' HB3' ' O ' ' K' ' 15' ' ' GLN . 9.5 t30 -60.36 -28.62 68.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.404 -0.817 . . . . 0.0 110.674 179.546 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' K' K ' 19' ' ' TYR . . . . . 0.438 ' CE1' ' HB ' ' K' ' 2' ' ' ILE . 83.0 m-85 -94.9 -86.39 0.29 Allowed 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 178.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' K' K ' 20' ' ' CYS . . . . . . . . . . . . . 16.2 t 54.32 -113.35 0.78 Allowed 'General case' 0 CA--C 1.533 0.321 0 O-C-N 123.764 0.665 . . . . 0.0 110.496 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' K' K ' 21' ' ' ASN . . . . . 0.617 ' HB2' ' HA ' ' L' ' 24' ' ' PHE . 15.0 t30 . . . . . 0 C--O 1.244 0.801 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 179.159 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' L' L ' 1' ' ' PHE . . . . . . . . . . . . . 2.2 p90 . . . . . 0 N--CA 1.48 1.065 0 CA-C-O 121.376 0.608 . . . . 0.0 111.248 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' L' L ' 2' ' ' VAL . . . . . 0.936 HG12 HG13 ' C' ' 10' ' ' ILE . 15.8 m -131.22 95.8 2.45 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 CA-C-O 121.775 0.798 . . . . 0.0 110.459 179.529 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' L' L ' 3' ' ' ASN . . . . . 0.55 ' O ' ' HB3' ' L' ' 7' ' ' CYS . 41.9 t30 -155.41 -52.22 0.09 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.088 -179.634 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' L' L ' 4' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -58.88 -38.71 79.46 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.222 179.173 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' L' L ' 5' ' ' HIS . . . . . 0.716 ' HA ' ' HE1' ' J' ' 16' ' ' TYR . 7.8 t60 -77.39 -27.28 52.41 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.589 -179.428 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' L' L ' 6' ' ' LEU . . . . . 0.633 HD13 ' HB2' ' D' ' 7' ' ' CYS . 35.0 mt -89.2 -59.49 2.2 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.762 0.791 . . . . 0.0 110.627 -178.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' L' L ' 7' ' ' CYS . . . . . 0.622 ' HB2' HD13 ' H' ' 6' ' ' LEU . 0.0 OUTLIER -62.92 -48.16 80.12 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 114.533 -1.212 . . . . 0.0 110.874 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' L' L ' 8' ' ' GLY . . . . . 0.706 ' HA2' ' HG ' ' L' ' 11' ' ' LEU . . . -59.33 -30.19 67.38 Favored Glycine 0 C--N 1.331 0.283 0 C-N-CA 120.936 -0.649 . . . . 0.0 112.748 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' L' L ' 9' ' ' SER . . . . . 0.472 ' OG ' ' HG3' ' J' ' 13' ' ' GLU . 0.3 OUTLIER -69.31 -9.86 55.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.977 0.417 . . . . 0.0 110.686 179.584 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' L' L ' 10' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -118.17 -9.1 10.55 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.177 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' L' L ' 11' ' ' LEU . . . . . 0.706 ' HG ' ' HA2' ' L' ' 8' ' ' GLY . 36.3 mt -69.4 -30.16 68.06 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 107.041 -1.466 . . . . 0.0 107.041 177.129 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' L' L ' 12' ' ' VAL . . . . . 0.631 ' HB ' ' CZ ' ' L' ' 24' ' ' PHE . 11.0 m -68.51 -32.58 55.91 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.388 0 CA-C-N 114.484 -1.234 . . . . 0.0 109.815 177.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' L' L ' 13' ' ' GLU . . . . . 0.474 ' HG3' ' OG ' ' J' ' 9' ' ' SER . 30.1 tt0 -64.35 -33.86 76.82 Favored 'General case' 0 C--O 1.232 0.154 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 179.094 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' L' L ' 14' ' ' ALA . . . . . 0.47 ' CB ' ' H3 ' ' K' ' 22' ' ' IPH . . . -72.34 -49.23 35.84 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.642 177.8 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' L' L ' 15' ' ' LEU . . . . . . . . . . . . . 96.4 mt -58.67 -36.26 73.88 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.925 178.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' L' L ' 16' ' ' TYR . . . . . 0.73 ' HE1' ' HA ' ' J' ' 5' ' ' HIS . 2.1 t80 -55.98 -41.19 74.39 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.766 -1.107 . . . . 0.0 110.298 179.645 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' L' L ' 17' ' ' LEU . . . . . 0.409 ' HG ' ' CB ' ' F' ' 14' ' ' ALA . 4.0 mm? -73.09 -43.92 61.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.594 179.091 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' L' L ' 18' ' ' VAL . . . . . 0.426 HG23 ' O ' ' L' ' 14' ' ' ALA . 55.5 t -60.32 -48.01 89.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.257 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' L' L ' 19' ' ' CYS . . . . . 0.489 ' HB3' ' HB3' ' L' ' 22' ' ' ARG . 77.6 m -79.43 -32.06 42.73 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.712 -179.365 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' L' L ' 20' ' ' GLY . . . . . 0.404 ' HA2' ' HE1' ' J' ' 5' ' ' HIS . . . 74.98 -135.12 18.34 Favored Glycine 0 N--CA 1.45 -0.432 0 N-CA-C 110.62 -0.992 . . . . 0.0 110.62 -178.717 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' L' L ' 21' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -87.7 56.4 3.89 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 178.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' L' L ' 22' ' ' ARG . . . . . 0.489 ' HB3' ' HB3' ' L' ' 19' ' ' CYS . 32.4 ttt180 -118.46 -49.24 2.47 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.995 -1.002 . . . . 0.0 110.234 -178.651 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' L' L ' 23' ' ' GLY . . . . . 0.918 ' HA2' ' HD2' ' J' ' 28' ' ' PRO . . . 112.12 179.18 19.87 Favored Glycine 0 N--CA 1.443 -0.859 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.289 -179.041 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' L' L ' 24' ' ' PHE . . . . . 0.631 ' CZ ' ' HB ' ' L' ' 12' ' ' VAL . 1.6 p90 -167.08 164.64 15.84 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-O 121.012 0.434 . . . . 0.0 111.047 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' L' L ' 25' ' ' PHE . . . . . 0.401 ' CE1' ' HA ' ' K' ' 21' ' ' ASN . 12.8 p90 -121.87 128.82 52.04 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 177.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' L' L ' 26' ' ' TYR . . . . . 0.479 ' CD2' ' HD3' ' L' ' 28' ' ' PRO . 25.3 t80 -131.6 121.31 24.16 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.526 -0.307 . . . . 0.0 110.267 -178.309 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' L' L ' 27' ' ' THR . . . . . 0.447 ' HA ' ' HA3' ' J' ' 23' ' ' GLY . 1.6 p -126.79 78.48 73.28 Favored Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -178.472 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' L' L ' 28' ' ' PRO . . . . . 0.899 ' HD2' ' HA2' ' J' ' 23' ' ' GLY . 83.1 Cg_endo -81.09 135.54 9.82 Favored 'Trans proline' 0 N--CA 1.459 -0.525 0 C-N-CA 122.612 2.208 . . . . 0.0 110.147 177.614 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' L' L ' 29' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -153.77 125.91 7.9 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.198 -0.601 . . . . 0.0 112.378 -178.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' L' L ' 30' ' ' THR . . . . . 0.42 ' H ' ' HB3' ' J' ' 21' ' ' GLU . 1.4 p . . . . . 0 C--O 1.247 0.962 0 CA-C-N 115.386 -0.825 . . . . 0.0 108.976 178.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' IPH . . . . . 0.725 ' H6 ' HG12 ' A' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 22' ' ' IPH . . . . . 0.711 ' H6 ' HG12 ' C' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 22' ' ' IPH . . . . . 0.716 ' H6 ' HG12 ' E' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 22' ' ' IPH . . . . . 0.717 ' H6 ' HG12 ' G' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 22' ' ' IPH . . . . . 0.706 ' H6 ' HG12 ' I' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' K' K ' 22' ' ' IPH . . . . . 0.704 ' H6 ' HG12 ' K' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.456 ' HA3' ' O ' ' B' ' 29' ' ' LYS . . . . . . . . 0 N--CA 1.486 1.992 0 N-CA-C 112.739 -0.145 . . . . 0.0 112.739 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 5.1 tt -49.82 -43.21 19.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.579 HG11 ' HG3' ' B' ' 4' ' ' GLN . 21.8 t -53.03 -55.17 13.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.704 -179.475 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -62.05 -42.37 99.11 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.689 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -57.14 -42.5 81.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.304 0.574 . . . . 0.0 111.104 179.143 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.422 ' HB2' HD13 ' B' ' 11' ' ' LEU . 82.6 m -88.63 2.35 53.33 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.366 -179.229 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 9.9 t -112.82 -20.03 11.77 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.811 0.338 . . . . 0.0 111.257 -179.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.6 t -75.93 -23.18 55.45 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.638 -179.146 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.1 t -163.01 12.69 0.06 Allowed 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.967 -0.293 . . . . 0.0 111.24 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.413 ' HA ' ' O ' ' A' ' 6' ' ' CYS . 2.4 mp 65.14 118.47 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 CA-C-O 121.417 0.627 . . . . 0.0 111.191 -179.736 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 64.2 m -71.59 141.79 50.02 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.672 179.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.0 t -80.64 166.38 21.14 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 177.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.6 mp -61.01 -33.34 73.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.119 0.485 . . . . 0.0 110.102 179.449 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -68.33 -18.42 64.49 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.156 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -94.13 -40.16 10.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.925 0.393 . . . . 0.0 110.39 179.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 83.3 mt -66.08 -31.84 72.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.615 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.21 -30.32 64.47 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.356 179.573 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -61.41 -23.49 65.85 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.104 179.354 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -109.16 8.78 26.07 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.701 -177.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.9 t -78.61 151.93 32.08 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.762 0.315 . . . . 0.0 110.92 -179.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.351 -0.833 . . . . 0.0 110.674 -179.517 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . 0.403 ' O ' ' HB3' ' B' ' 4' ' ' GLN . 53.2 t80 . . . . . 0 N--CA 1.478 0.952 0 N-CA-C 111.64 0.237 . . . . 0.0 111.64 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.49 ' O ' ' HG ' ' B' ' 6' ' ' LEU . 16.9 m -72.87 -39.6 59.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 120.451 -0.5 . . . . 0.0 111.519 -178.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . 0.56 ' O ' ' HB3' ' B' ' 7' ' ' CYS . 30.6 m-20 -72.95 -4.76 34.17 Favored 'General case' 0 C--O 1.219 -0.545 0 CA-C-O 121.337 0.589 . . . . 0.0 109.983 178.75 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . 0.579 ' HG3' HG11 ' A' ' 3' ' ' VAL . 27.9 tt0 -71.57 -17.33 62.31 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 177.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . 0.45 ' HA ' ' HE2' ' D' ' 16' ' ' TYR . 33.8 t60 -113.83 -2.27 13.69 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.989 178.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' B' ' 2' ' ' VAL . 7.6 mt -114.08 -40.32 3.73 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.421 0.629 . . . . 0.0 110.017 -179.378 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . 0.56 ' HB3' ' O ' ' B' ' 3' ' ' ASN . 0.5 OUTLIER -88.02 -33.33 18.4 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 177.683 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . -61.81 -26.66 67.3 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.517 -0.765 . . . . 0.0 112.645 178.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.89 10.03 3.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.868 0.366 . . . . 0.0 111.693 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 38.8 m-70 -113.56 -39.42 4.07 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.417 0.627 . . . . 0.0 109.319 178.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.422 HD13 ' HB2' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -64.72 -25.24 67.85 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.076 179.177 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 5.9 m -60.87 -49.33 85.06 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -179.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.86 ' HA ' ' HE1' ' B' ' 16' ' ' TYR . 64.4 tt0 -66.35 -33.66 76.22 Favored 'General case' 0 CA--C 1.52 -0.178 0 C-N-CA 120.424 -0.51 . . . . 0.0 110.448 -179.428 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.11 -39.81 78.73 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 179.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 11.9 mt -57.46 -54.9 41.57 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.965 -0.561 . . . . 0.0 112.236 -179.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . 0.934 ' HB2' ' HG3' ' D' ' 28' ' ' PRO . 3.8 p90 -79.64 3.35 19.34 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 119.68 -0.808 . . . . 0.0 111.154 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.575 ' HB2' ' O ' ' B' ' 13' ' ' GLU . 5.3 tt -88.32 -44.6 10.68 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 177.581 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 90.5 t -64.85 -40.63 89.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.732 178.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . 0.817 ' HB3' ' HB2' ' B' ' 22' ' ' ARG . 97.1 m -77.8 -21.52 51.5 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.039 179.607 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 70.24 -100.56 0.8 Allowed Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.235 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -98.21 -0.69 43.67 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.437 0.637 . . . . 0.0 109.767 179.277 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . 0.817 ' HB2' ' HB3' ' B' ' 19' ' ' CYS . 43.5 mtp85 -86.07 151.48 23.66 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.365 178.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . 0.744 ' HA2' ' HD2' ' D' ' 28' ' ' PRO . . . -89.57 -167.39 42.53 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.328 -0.939 . . . . 0.0 112.438 -179.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' PHE . . . . . 0.746 ' CE1' ' HB3' ' B' ' 16' ' ' TYR . 18.7 p90 -168.16 170.65 10.07 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-O 121.23 0.538 . . . . 0.0 110.939 179.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . 0.547 ' HD1' ' HD1' ' D' ' 25' ' ' PHE . 40.1 m-85 -109.92 135.0 51.47 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.185 179.382 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 21.2 t80 -132.77 122.27 24.27 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.464 -179.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' THR . . . . . 0.561 HG22 ' HA3' ' D' ' 23' ' ' GLY . 1.7 p -128.83 99.36 22.69 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.5 -179.438 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . 0.927 ' HG3' ' HB2' ' D' ' 16' ' ' TYR . 96.5 Cg_endo -78.9 50.94 3.64 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.995 2.463 . . . . 0.0 112.241 179.537 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.456 ' O ' ' HA3' ' A' ' 1' ' ' GLY . 20.7 ptmt -109.36 157.95 18.39 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.771 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 25.8 m . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.628 -0.701 . . . . 0.0 110.317 -179.878 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 1' ' ' GLY . . . . . 0.449 ' HA3' ' O ' ' D' ' 29' ' ' LYS . . . . . . . . 0 N--CA 1.488 2.107 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 5.0 tt -49.92 -42.54 18.89 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 N-CA-C 112.789 0.663 . . . . 0.0 112.789 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 3' ' ' VAL . . . . . 0.57 HG11 ' HG3' ' D' ' 4' ' ' GLN . 21.8 t -53.46 -55.64 12.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -179.558 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -61.74 -42.02 98.43 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.847 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -57.76 -41.09 81.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.065 179.139 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 6' ' ' CYS . . . . . 0.42 ' HB2' HD13 ' D' ' 11' ' ' LEU . 80.5 m -89.96 2.01 55.61 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -179.19 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 7' ' ' CYS . . . . . . . . . . . . . 9.5 t -112.26 -19.48 12.21 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.906 0.384 . . . . 0.0 111.265 -179.552 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 12.4 t -75.53 -25.77 57.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.376 -179.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 27.1 t -160.68 12.1 0.1 Allowed 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 121.013 -0.275 . . . . 0.0 111.447 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 2.4 mp 66.09 117.68 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 CA-C-O 121.645 0.736 . . . . 0.0 111.174 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 65.9 m -71.08 141.0 50.85 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.566 179.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 34.1 t -80.58 165.87 21.66 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 177.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 9.3 mp -60.39 -31.48 70.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.047 0.451 . . . . 0.0 110.523 179.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -70.89 -17.61 62.7 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.98 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -94.88 -39.03 10.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.902 0.382 . . . . 0.0 110.358 179.112 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 88.5 mt -67.33 -31.17 71.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.087 0.47 . . . . 0.0 110.472 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.86 -30.03 65.47 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.341 179.671 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -61.64 -24.61 66.84 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.949 179.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -107.88 8.62 28.68 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.819 -177.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 8.1 t -79.46 149.59 31.51 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.755 -179.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 . . . . . 0 C--O 1.252 1.187 0 CA-C-O 118.287 -0.863 . . . . 0.0 110.424 -179.794 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 53.0 t80 . . . . . 0 N--CA 1.48 1.038 0 N-CA-C 111.641 0.237 . . . . 0.0 111.641 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 2' ' ' VAL . . . . . 0.512 ' O ' ' HG ' ' D' ' 6' ' ' LEU . 15.1 m -74.14 -39.48 50.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 120.37 -0.532 . . . . 0.0 111.326 -179.122 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 3' ' ' ASN . . . . . 0.557 ' O ' ' HB3' ' D' ' 7' ' ' CYS . 23.9 m-20 -72.41 -4.48 30.42 Favored 'General case' 0 C--O 1.217 -0.632 0 CA-C-O 121.351 0.596 . . . . 0.0 110.064 178.388 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 4' ' ' GLN . . . . . 0.57 ' HG3' HG11 ' C' ' 3' ' ' VAL . 29.6 tt0 -72.41 -17.41 61.8 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 178.103 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 5' ' ' HIS . . . . . 0.45 ' HA ' ' HE2' ' B' ' 16' ' ' TYR . 35.2 t60 -113.72 -2.38 13.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.984 178.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 6' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' D' ' 2' ' ' VAL . 7.6 mt -113.89 -39.72 3.91 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.419 0.628 . . . . 0.0 110.015 -179.3 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 7' ' ' CYS . . . . . 0.557 ' HB3' ' O ' ' D' ' 3' ' ' ASN . 0.3 OUTLIER -88.95 -33.1 17.35 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 177.924 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' D' D ' 8' ' ' GLY . . . . . . . . . . . . . . . -61.92 -26.42 67.18 Favored Glycine 0 N--CA 1.449 -0.45 0 CA-C-N 115.555 -0.748 . . . . 0.0 112.594 178.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.4 10.71 2.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.936 0.398 . . . . 0.0 111.748 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 10' ' ' HIS . . . . . . . . . . . . . 37.4 m-70 -114.16 -39.33 3.92 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 178.164 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 11' ' ' LEU . . . . . 0.443 ' H ' ' HG ' ' D' ' 11' ' ' LEU . 0.1 OUTLIER -64.84 -25.56 67.95 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.922 179.286 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 6.2 m -60.54 -49.18 85.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 112.978 0.732 . . . . 0.0 112.978 -179.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 13' ' ' GLU . . . . . 0.868 ' HA ' ' HE1' ' D' ' 16' ' ' TYR . 64.2 tt0 -66.58 -33.34 75.46 Favored 'General case' 0 CA--C 1.52 -0.182 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.357 -179.289 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.52 -39.62 77.44 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.763 179.164 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 12.1 mt -57.62 -54.53 45.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.369 -179.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 16' ' ' TYR . . . . . 0.927 ' HB2' ' HG3' ' B' ' 28' ' ' PRO . 3.5 p90 -80.28 3.98 19.19 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 119.55 -0.86 . . . . 0.0 111.032 -179.728 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . 0.59 ' HB2' ' O ' ' D' ' 13' ' ' GLU . 5.3 tt -88.92 -44.96 10.06 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 177.666 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 87.9 t -64.79 -39.99 87.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.659 178.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 19' ' ' CYS . . . . . 0.821 ' HB3' ' HB2' ' D' ' 22' ' ' ARG . 93.8 m -78.35 -20.94 50.27 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.031 179.604 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.61 -100.77 0.77 Allowed Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 121.079 -0.581 . . . . 0.0 112.264 179.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -98.33 0.25 45.13 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.386 0.612 . . . . 0.0 109.886 179.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 22' ' ' ARG . . . . . 0.821 ' HB2' ' HB3' ' D' ' 19' ' ' CYS . 42.9 mtp85 -87.01 152.58 22.26 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.24 178.696 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 23' ' ' GLY . . . . . 0.74 ' HA2' ' HD2' ' B' ' 28' ' ' PRO . . . -90.53 -167.87 42.02 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.526 -0.845 . . . . 0.0 112.294 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 24' ' ' PHE . . . . . 0.741 ' CE1' ' HB3' ' D' ' 16' ' ' TYR . 16.8 p90 -167.79 170.67 10.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.273 0.558 . . . . 0.0 110.759 179.749 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 25' ' ' PHE . . . . . 0.547 ' HD1' ' HD1' ' B' ' 25' ' ' PHE . 40.0 m-85 -109.36 136.7 48.36 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.161 -0.927 . . . . 0.0 108.994 179.153 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 26' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -134.61 120.26 19.37 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.624 -179.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 27' ' ' THR . . . . . 0.609 HG22 ' HA3' ' B' ' 23' ' ' GLY . 3.0 p -126.76 100.13 28.52 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-O 120.941 0.401 . . . . 0.0 111.755 -179.767 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 28' ' ' PRO . . . . . 0.934 ' HG3' ' HB2' ' B' ' 16' ' ' TYR . 94.2 Cg_endo -78.93 50.71 3.56 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.897 2.398 . . . . 0.0 112.07 179.556 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 29' ' ' LYS . . . . . 0.449 ' O ' ' HA3' ' C' ' 1' ' ' GLY . 20.3 ptmt -109.15 157.11 19.08 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.101 179.751 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 24.8 m . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.562 -0.733 . . . . 0.0 110.142 -179.828 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' E' E ' 1' ' ' GLY . . . . . 0.402 ' HA3' ' O ' ' F' ' 29' ' ' LYS . . . . . . . . 0 N--CA 1.489 2.182 0 N-CA-C 112.727 -0.149 . . . . 0.0 112.727 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 2' ' ' ILE . . . . . . . . . . . . . 4.9 tt -50.38 -42.48 21.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 3' ' ' VAL . . . . . 0.581 HG11 ' HG3' ' F' ' 4' ' ' GLN . 21.8 t -53.54 -54.87 16.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 111.743 0.275 . . . . 0.0 111.743 -179.645 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 4' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -62.35 -42.33 99.31 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.722 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 5' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -56.94 -42.7 80.55 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.402 0.62 . . . . 0.0 110.998 179.218 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 6' ' ' CYS . . . . . 0.414 ' HB2' HD13 ' F' ' 11' ' ' LEU . 86.5 m -88.63 2.31 53.41 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.052 -0.522 . . . . 0.0 112.333 -179.016 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 7' ' ' CYS . . . . . . . . . . . . . 9.3 t -112.04 -20.96 11.77 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.86 0.362 . . . . 0.0 111.188 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 8' ' ' THR . . . . . . . . . . . . . 8.9 t -74.6 -24.49 58.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.697 -179.137 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 9' ' ' SER . . . . . . . . . . . . . 22.8 t -161.06 10.09 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 121.074 -0.25 . . . . 0.0 111.449 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 10' ' ' ILE . . . . . . . . . . . . . 2.4 mp 67.84 119.11 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 CA-C-O 121.36 0.6 . . . . 0.0 110.893 -179.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 11' ' ' CYS . . . . . . . . . . . . . 61.9 m -72.92 140.33 47.4 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.434 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 12' ' ' SER . . . . . . . . . . . . . 34.7 t -79.58 165.61 22.76 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 177.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 13' ' ' LEU . . . . . . . . . . . . . 9.5 mp -60.18 -32.63 71.25 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.084 0.469 . . . . 0.0 110.448 179.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 14' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -69.61 -16.54 63.41 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.483 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -96.02 -38.78 10.07 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.857 0.361 . . . . 0.0 110.206 179.167 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 16' ' ' LEU . . . . . . . . . . . . . 85.8 mt -67.6 -31.17 71.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.466 179.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.86 -29.43 64.99 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.482 179.608 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 18' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -61.71 -26.51 68.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.896 179.518 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 19' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -106.31 9.24 32.01 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.949 -177.636 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 20' ' ' CYS . . . . . . . . . . . . . 8.1 t -79.22 151.81 30.99 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.832 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 21' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.301 -0.857 . . . . 0.0 110.517 -179.732 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' F' F ' 1' ' ' PHE . . . . . 0.422 ' O ' ' HB3' ' F' ' 4' ' ' GLN . 51.6 t80 . . . . . 0 N--CA 1.482 1.139 0 N-CA-C 111.607 0.225 . . . . 0.0 111.607 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 2' ' ' VAL . . . . . 0.503 ' O ' ' HG ' ' F' ' 6' ' ' LEU . 17.1 m -72.15 -40.52 66.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 120.664 -0.414 . . . . 0.0 111.438 -179.131 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' F' F ' 3' ' ' ASN . . . . . 0.553 ' O ' ' HB3' ' F' ' 7' ' ' CYS . 24.5 m-20 -71.52 -5.31 32.17 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-O 121.151 0.5 . . . . 0.0 110.026 178.52 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' F' F ' 4' ' ' GLN . . . . . 0.581 ' HG3' HG11 ' E' ' 3' ' ' VAL . 28.4 tt0 -71.6 -17.71 62.26 Favored 'General case' 0 C--N 1.315 -0.911 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 178.138 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' F' F ' 5' ' ' HIS . . . . . 0.445 ' HA ' ' HE2' ' H' ' 16' ' ' TYR . 34.4 t60 -113.31 -2.44 14.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.082 178.759 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' F' F ' 6' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' F' ' 2' ' ' VAL . 7.8 mt -113.89 -41.0 3.63 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.398 0.618 . . . . 0.0 109.962 -179.365 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' F' F ' 7' ' ' CYS . . . . . 0.553 ' HB3' ' O ' ' F' ' 3' ' ' ASN . 0.4 OUTLIER -87.21 -33.53 19.3 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.262 -0.881 . . . . 0.0 108.725 177.643 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' F' F ' 8' ' ' GLY . . . . . . . . . . . . . . . -61.95 -26.29 67.07 Favored Glycine 0 N--CA 1.45 -0.421 0 CA-C-N 115.468 -0.787 . . . . 0.0 112.77 178.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.43 10.36 3.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.066 0.46 . . . . 0.0 111.663 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' F' F ' 10' ' ' HIS . . . . . . . . . . . . . 37.7 m-70 -113.74 -39.67 3.96 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 178.091 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 11' ' ' LEU . . . . . 0.424 ' H ' ' HG ' ' F' ' 11' ' ' LEU . 0.1 OUTLIER -64.45 -25.44 68.01 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.979 179.257 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 5.7 m -60.69 -49.3 85.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -179.244 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 13' ' ' GLU . . . . . 0.862 ' HA ' ' HE1' ' F' ' 16' ' ' TYR . 65.0 tt0 -66.2 -34.01 77.05 Favored 'General case' 0 CA--C 1.522 -0.117 0 C-N-CA 120.661 -0.415 . . . . 0.0 110.509 -179.453 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' F' F ' 14' ' ' ALA . . . . . 0.401 ' O ' HG23 ' F' ' 18' ' ' VAL . . . -68.82 -39.98 79.73 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.926 179.006 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' F' F ' 15' ' ' LEU . . . . . . . . . . . . . 12.0 mt -57.41 -54.87 41.88 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.996 -0.547 . . . . 0.0 112.196 -179.664 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 16' ' ' TYR . . . . . 0.926 ' HB2' ' HG3' ' H' ' 28' ' ' PRO . 3.5 p90 -79.76 3.62 18.89 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 119.669 -0.812 . . . . 0.0 111.335 -179.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' F' F ' 17' ' ' LEU . . . . . 0.579 ' HB2' ' O ' ' F' ' 13' ' ' GLU . 5.3 tt -88.58 -45.41 9.91 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 107.784 -1.191 . . . . 0.0 107.784 177.483 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . 0.401 HG23 ' O ' ' F' ' 14' ' ' ALA . 93.4 t -64.3 -40.57 89.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.115 -0.948 . . . . 0.0 109.725 178.578 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' F' F ' 19' ' ' CYS . . . . . 0.841 ' HB3' ' HB2' ' F' ' 22' ' ' ARG . 91.8 m -77.95 -20.7 52.26 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.659 -0.701 . . . . 0.0 111.002 179.508 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' F' F ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.15 -102.53 0.94 Allowed Glycine 0 N--CA 1.453 -0.208 0 C-N-CA 120.909 -0.663 . . . . 0.0 111.96 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 21' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -96.25 -0.93 49.08 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.167 0.508 . . . . 0.0 109.987 179.401 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 22' ' ' ARG . . . . . 0.841 ' HB2' ' HB3' ' F' ' 19' ' ' CYS . 43.5 mtp85 -85.76 152.64 22.88 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.513 178.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' F' F ' 23' ' ' GLY . . . . . 0.729 ' HA2' ' HD2' ' H' ' 28' ' ' PRO . . . -90.57 -167.49 41.74 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.336 -0.935 . . . . 0.0 112.394 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' F' F ' 24' ' ' PHE . . . . . 0.736 ' CE1' ' HB3' ' F' ' 16' ' ' TYR . 17.7 p90 -168.07 171.25 9.74 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-O 121.236 0.541 . . . . 0.0 110.917 179.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' F' F ' 25' ' ' PHE . . . . . 0.553 ' HD1' ' HD1' ' H' ' 25' ' ' PHE . 40.4 m-85 -110.32 135.71 50.63 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.239 -0.891 . . . . 0.0 109.189 179.338 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' F' F ' 26' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -133.1 121.76 23.11 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.52 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 27' ' ' THR . . . . . 0.572 HG22 ' HA3' ' H' ' 23' ' ' GLY . 1.6 p -128.32 99.81 23.82 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.497 -179.596 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' F' F ' 28' ' ' PRO . . . . . 0.901 ' HG3' ' HB2' ' H' ' 16' ' ' TYR . 94.0 Cg_endo -79.2 50.34 3.46 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.97 2.447 . . . . 0.0 112.199 179.601 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' F' F ' 29' ' ' LYS . . . . . 0.402 ' O ' ' HA3' ' E' ' 1' ' ' GLY . 20.3 ptmt -107.91 159.68 16.34 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.907 179.455 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' F' F ' 30' ' ' THR . . . . . . . . . . . . . 31.8 m . . . . . 0 C--O 1.247 0.969 0 CA-C-O 118.464 -0.779 . . . . 0.0 110.242 -179.863 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' G' G ' 1' ' ' GLY . . . . . 0.463 ' HA3' ' O ' ' H' ' 29' ' ' LYS . . . . . . . . 0 N--CA 1.487 2.098 0 CA-C-O 120.81 0.117 . . . . 0.0 112.914 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 2' ' ' ILE . . . . . . . . . . . . . 4.9 tt -51.47 -42.79 29.53 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 3' ' ' VAL . . . . . 0.598 HG11 ' HG3' ' H' ' 4' ' ' GLN . 22.1 t -53.34 -55.05 14.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 120.695 0.283 . . . . 0.0 111.687 -179.628 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' G' G ' 4' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -62.24 -42.27 99.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.659 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 5' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -57.24 -41.77 80.21 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.403 0.62 . . . . 0.0 111.042 179.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 6' ' ' CYS . . . . . 0.422 ' HB2' HD13 ' H' ' 11' ' ' LEU . 80.1 m -89.52 2.3 54.78 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.993 -0.548 . . . . 0.0 112.244 -178.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' G' G ' 7' ' ' CYS . . . . . . . . . . . . . 9.9 t -112.27 -20.16 11.95 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.875 0.369 . . . . 0.0 110.946 -179.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 8' ' ' THR . . . . . . . . . . . . . 10.3 t -75.88 -22.51 56.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.581 -0.282 . . . . 0.0 111.627 -179.048 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 9' ' ' SER . . . . . . . . . . . . . 18.2 t -163.69 11.6 0.05 Allowed 'General case' 0 C--N 1.328 -0.335 0 O-C-N 122.244 -0.285 . . . . 0.0 111.231 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 10' ' ' ILE . . . . . . . . . . . . . 2.4 mp 66.18 117.82 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 CA-C-O 121.378 0.608 . . . . 0.0 111.234 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 11' ' ' CYS . . . . . . . . . . . . . 65.4 m -71.09 141.78 50.83 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.44 179.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 12' ' ' SER . . . . . . . . . . . . . 48.1 t -81.53 165.8 20.84 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 177.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 13' ' ' LEU . . . . . . . . . . . . . 9.3 mp -59.65 -32.55 70.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.103 0.478 . . . . 0.0 110.485 179.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 14' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -70.06 -16.58 63.16 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.527 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -96.05 -39.31 9.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.944 0.402 . . . . 0.0 110.193 179.133 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 16' ' ' LEU . . . . . . . . . . . . . 85.7 mt -66.96 -30.7 70.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.504 179.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.18 -30.43 66.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.394 179.663 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' G' G ' 18' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -61.02 -25.04 66.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.672 -0.695 . . . . 0.0 112.025 179.38 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 19' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -107.56 8.68 29.39 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.931 -177.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 20' ' ' CYS . . . . . . . . . . . . . 8.1 t -79.03 150.03 32.02 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.702 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 21' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 . . . . . 0 C--O 1.246 0.896 0 CA-C-O 118.245 -0.883 . . . . 0.0 109.962 179.99 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' H' H ' 1' ' ' PHE . . . . . 0.41 ' O ' ' HB3' ' H' ' 4' ' ' GLN . 53.0 t80 . . . . . 0 N--CA 1.479 1.0 0 CA-C-O 120.474 0.178 . . . . 0.0 111.156 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' H' H ' 2' ' ' VAL . . . . . 0.507 ' O ' ' HG ' ' H' ' 6' ' ' LEU . 16.5 m -73.37 -39.56 55.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 C-N-CA 120.472 -0.491 . . . . 0.0 111.337 -179.258 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' H' H ' 3' ' ' ASN . . . . . 0.56 ' O ' ' HB3' ' H' ' 7' ' ' CYS . 28.3 m-20 -72.34 -5.43 36.23 Favored 'General case' 0 C--O 1.217 -0.652 0 CA-C-O 121.249 0.547 . . . . 0.0 109.995 178.448 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' H' H ' 4' ' ' GLN . . . . . 0.598 ' HG3' HG11 ' G' ' 3' ' ' VAL . 28.4 tt0 -71.59 -17.98 62.26 Favored 'General case' 0 C--N 1.313 -0.992 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 178.212 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' H' H ' 5' ' ' HIS . . . . . 0.427 ' HA ' ' HE2' ' F' ' 16' ' ' TYR . 36.4 t60 -112.8 -3.01 14.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.049 178.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' H' H ' 6' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' H' ' 2' ' ' VAL . 7.6 mt -113.51 -40.27 3.88 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.519 0.676 . . . . 0.0 109.963 -179.22 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' H' H ' 7' ' ' CYS . . . . . 0.56 ' HB3' ' O ' ' H' ' 3' ' ' ASN . 0.4 OUTLIER -87.88 -33.5 18.51 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.218 -0.901 . . . . 0.0 108.587 177.907 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' H' H ' 8' ' ' GLY . . . . . . . . . . . . . . . -61.72 -26.82 67.36 Favored Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 115.284 -0.871 . . . . 0.0 112.74 178.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' H' H ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.97 10.07 3.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.982 0.42 . . . . 0.0 111.684 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' H' H ' 10' ' ' HIS . . . . . . . . . . . . . 36.9 m-70 -113.52 -39.72 4.01 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 178.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' H' H ' 11' ' ' LEU . . . . . 0.443 ' H ' ' HG ' ' H' ' 11' ' ' LEU . 0.1 OUTLIER -64.33 -25.69 68.15 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.074 -0.967 . . . . 0.0 110.055 179.27 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 6.1 m -60.49 -49.48 84.19 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -179.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' H' H ' 13' ' ' GLU . . . . . 0.867 ' HA ' ' HE1' ' H' ' 16' ' ' TYR . 64.3 tt0 -65.77 -34.44 78.18 Favored 'General case' 0 CA--C 1.522 -0.125 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.387 -179.466 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' H' H ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.63 -39.64 80.67 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.985 179.107 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' H' H ' 15' ' ' LEU . . . . . . . . . . . . . 12.0 mt -57.7 -54.6 45.09 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.076 -0.511 . . . . 0.0 112.311 -179.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' H' H ' 16' ' ' TYR . . . . . 0.901 ' HB2' ' HG3' ' F' ' 28' ' ' PRO . 3.6 p90 -79.98 3.48 19.95 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 119.647 -0.821 . . . . 0.0 111.163 -179.77 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' H' H ' 17' ' ' LEU . . . . . 0.579 ' HB2' ' O ' ' H' ' 13' ' ' GLU . 5.3 tt -88.38 -44.99 10.36 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 177.63 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 84.3 t -64.52 -41.08 91.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 114.99 -1.005 . . . . 0.0 109.613 178.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' H' H ' 19' ' ' CYS . . . . . 0.824 ' HB3' ' HB2' ' H' ' 22' ' ' ARG . 95.4 m -77.09 -22.39 52.85 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.071 179.614 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' H' H ' 20' ' ' GLY . . . . . . . . . . . . . . . 70.99 -101.36 0.94 Allowed Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.122 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' H' H ' 21' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -97.05 -1.84 44.53 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.277 0.56 . . . . 0.0 109.697 179.174 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' H' H ' 22' ' ' ARG . . . . . 0.824 ' HB2' ' HB3' ' H' ' 19' ' ' CYS . 46.2 mtp85 -84.7 152.15 23.94 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.267 -0.878 . . . . 0.0 109.618 178.772 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' H' H ' 23' ' ' GLY . . . . . 0.718 ' HA2' ' HD2' ' F' ' 28' ' ' PRO . . . -90.38 -167.53 41.93 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.512 -0.851 . . . . 0.0 112.312 -179.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' H' H ' 24' ' ' PHE . . . . . 0.75 ' CE1' ' HB3' ' H' ' 16' ' ' TYR . 18.3 p90 -168.16 171.21 9.64 Favored 'General case' 0 C--O 1.24 0.571 0 CA-C-O 121.175 0.512 . . . . 0.0 110.826 179.77 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' H' H ' 25' ' ' PHE . . . . . 0.553 ' HD1' ' HD1' ' F' ' 25' ' ' PHE . 40.3 m-85 -110.28 136.38 49.56 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.153 179.319 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' H' H ' 26' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -134.34 120.87 20.43 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.393 -0.523 . . . . 0.0 110.403 -179.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' H' H ' 27' ' ' THR . . . . . 0.571 HG22 ' HA3' ' F' ' 23' ' ' GLY . 1.9 p -127.14 99.42 28.35 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.492 -179.57 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' H' H ' 28' ' ' PRO . . . . . 0.926 ' HG3' ' HB2' ' F' ' 16' ' ' TYR . 94.1 Cg_endo -78.95 51.57 3.9 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.82 2.347 . . . . 0.0 111.93 179.547 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' H' H ' 29' ' ' LYS . . . . . 0.463 ' O ' ' HA3' ' G' ' 1' ' ' GLY . 20.5 ptmt -109.65 157.02 19.51 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.84 179.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' H' H ' 30' ' ' THR . . . . . . . . . . . . . 25.7 m . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.216 -0.897 . . . . 0.0 109.928 -179.73 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' I' I ' 1' ' ' GLY . . . . . 0.451 ' HA3' ' O ' ' J' ' 29' ' ' LYS . . . . . . . . 0 N--CA 1.488 2.12 0 N-CA-C 112.853 -0.099 . . . . 0.0 112.853 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 2' ' ' ILE . . . . . . . . . . . . . 5.2 tt -50.2 -42.36 20.02 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 3' ' ' VAL . . . . . 0.578 HG11 ' HG3' ' J' ' 4' ' ' GLN . 22.5 t -53.91 -55.25 14.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -179.473 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' I' I ' 4' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -62.15 -41.7 98.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.814 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 5' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -57.54 -42.49 83.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.426 0.631 . . . . 0.0 110.913 179.09 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 6' ' ' CYS . . . . . 0.432 ' HB2' HD13 ' J' ' 11' ' ' LEU . 82.1 m -88.38 1.35 54.86 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.876 -0.602 . . . . 0.0 112.256 -179.166 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' I' I ' 7' ' ' CYS . . . . . . . . . . . . . 9.7 t -112.42 -17.65 12.64 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.924 0.393 . . . . 0.0 111.356 -179.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 8' ' ' THR . . . . . . . . . . . . . 8.9 t -78.06 -23.4 48.1 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.273 -179.259 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 9' ' ' SER . . . . . . . . . . . . . 22.3 t -162.56 12.45 0.07 Allowed 'General case' 0 C--O 1.233 0.226 0 C-N-CA 121.05 -0.26 . . . . 0.0 111.135 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 10' ' ' ILE . . . . . 0.427 ' HA ' ' O ' ' I' ' 6' ' ' CYS . 2.4 mp 65.46 118.53 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 CA-C-O 121.5 0.667 . . . . 0.0 111.145 -179.622 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' I' I ' 11' ' ' CYS . . . . . . . . . . . . . 63.4 m -72.0 141.07 49.36 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.287 179.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 12' ' ' SER . . . . . . . . . . . . . 41.6 t -80.79 165.97 21.4 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 177.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 13' ' ' LEU . . . . . . . . . . . . . 9.4 mp -60.11 -31.16 69.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.145 0.498 . . . . 0.0 110.547 179.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 14' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -71.06 -17.92 62.58 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.031 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -94.91 -38.84 10.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.941 0.4 . . . . 0.0 110.335 179.097 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 16' ' ' LEU . . . . . . . . . . . . . 86.8 mt -67.41 -30.84 70.7 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.106 0.479 . . . . 0.0 110.494 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.23 -30.91 66.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.383 179.646 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' I' I ' 18' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -59.77 -26.17 65.49 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.011 179.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 19' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -106.61 8.51 31.24 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.955 -177.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 20' ' ' CYS . . . . . . . . . . . . . 8.1 t -78.93 150.45 32.09 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.742 -179.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 21' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 . . . . . 0 C--O 1.248 0.984 0 CA-C-O 118.178 -0.915 . . . . 0.0 110.696 -179.719 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' J' J ' 1' ' ' PHE . . . . . . . . . . . . . 53.2 t80 . . . . . 0 N--CA 1.48 1.056 0 CA-C-O 120.542 0.21 . . . . 0.0 111.54 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' J' J ' 2' ' ' VAL . . . . . 0.499 ' O ' ' HG ' ' J' ' 6' ' ' LEU . 16.8 m -73.98 -39.93 51.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 C-N-CA 120.335 -0.546 . . . . 0.0 111.272 -179.194 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' J' J ' 3' ' ' ASN . . . . . 0.557 ' O ' ' HB3' ' J' ' 7' ' ' CYS . 20.8 m-20 -72.22 -5.18 33.98 Favored 'General case' 0 C--O 1.217 -0.631 0 CA-C-O 121.273 0.559 . . . . 0.0 110.108 178.594 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' J' J ' 4' ' ' GLN . . . . . 0.578 ' HG3' HG11 ' I' ' 3' ' ' VAL . 28.5 tt0 -71.59 -17.61 62.28 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 177.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' J' J ' 5' ' ' HIS . . . . . 0.44 ' HA ' ' HE2' ' L' ' 16' ' ' TYR . 36.2 t60 -113.28 -2.7 13.98 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.986 178.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' J' J ' 6' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' J' ' 2' ' ' VAL . 7.6 mt -113.84 -40.22 3.82 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.375 0.607 . . . . 0.0 109.986 -179.295 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' J' J ' 7' ' ' CYS . . . . . 0.557 ' HB3' ' O ' ' J' ' 3' ' ' ASN . 0.4 OUTLIER -88.31 -33.09 18.13 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 108.563 -0.902 . . . . 0.0 108.563 177.76 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' J' J ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.46 -25.88 67.48 Favored Glycine 0 C--N 1.333 0.396 0 CA-C-N 115.654 -0.703 . . . . 0.0 112.484 178.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' J' J ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.59 10.46 3.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.104 0.478 . . . . 0.0 111.646 179.757 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' J' J ' 10' ' ' HIS . . . . . . . . . . . . . 36.2 m-70 -113.78 -39.53 3.99 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 178.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' J' J ' 11' ' ' LEU . . . . . 0.458 ' H ' ' HG ' ' J' ' 11' ' ' LEU . 0.1 OUTLIER -64.44 -25.69 68.12 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.145 179.188 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 6.6 m -60.63 -49.08 85.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 -179.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' J' J ' 13' ' ' GLU . . . . . 0.861 ' HA ' ' HE1' ' J' ' 16' ' ' TYR . 63.4 tt0 -66.32 -34.01 77.02 Favored 'General case' 0 CA--C 1.521 -0.154 0 C-N-CA 120.475 -0.49 . . . . 0.0 110.209 -179.474 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' J' J ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.59 -40.41 80.51 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.048 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' J' J ' 15' ' ' LEU . . . . . . . . . . . . . 11.9 mt -57.18 -54.96 40.8 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.376 -179.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' J' J ' 16' ' ' TYR . . . . . 0.93 ' HB2' ' HG3' ' L' ' 28' ' ' PRO . 3.5 p90 -79.57 3.14 19.79 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 119.479 -0.889 . . . . 0.0 111.152 -179.745 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' J' J ' 17' ' ' LEU . . . . . 0.57 ' HB2' ' O ' ' J' ' 13' ' ' GLU . 5.3 tt -87.78 -45.19 10.54 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 177.594 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 89.9 t -64.5 -40.16 88.08 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-N 115.129 -0.941 . . . . 0.0 109.852 178.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' J' J ' 19' ' ' CYS . . . . . 0.829 ' HB3' ' HB2' ' J' ' 22' ' ' ARG . 93.8 m -78.24 -20.63 51.34 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.138 179.555 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' J' J ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.61 -101.52 0.78 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 121.248 -0.501 . . . . 0.0 112.059 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' J' J ' 21' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -97.03 1.05 49.7 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.16 0.505 . . . . 0.0 110.068 179.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' J' J ' 22' ' ' ARG . . . . . 0.829 ' HB2' ' HB3' ' J' ' 19' ' ' CYS . 41.7 mtp85 -88.65 150.4 23.04 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.469 179.081 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' J' J ' 23' ' ' GLY . . . . . 0.742 ' HA2' ' HD2' ' L' ' 28' ' ' PRO . . . -87.78 -168.53 44.57 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.465 -179.66 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' J' J ' 24' ' ' PHE . . . . . 0.753 ' CE1' ' HB3' ' J' ' 16' ' ' TYR . 17.7 p90 -167.78 170.51 10.76 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-O 121.21 0.529 . . . . 0.0 110.875 179.652 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' J' J ' 25' ' ' PHE . . . . . 0.543 ' HD1' ' HD1' ' L' ' 25' ' ' PHE . 39.2 m-85 -109.45 136.1 49.4 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.283 179.318 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' J' J ' 26' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -133.49 121.28 21.95 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.508 -179.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' J' J ' 27' ' ' THR . . . . . 0.583 HG22 ' HA3' ' L' ' 23' ' ' GLY . 1.8 p -128.11 99.33 25.2 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.388 -179.63 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' J' J ' 28' ' ' PRO . . . . . 0.92 ' HG3' ' HB2' ' L' ' 16' ' ' TYR . 95.7 Cg_endo -78.6 51.04 3.61 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 123.04 2.493 . . . . 0.0 111.975 179.479 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' J' J ' 29' ' ' LYS . . . . . 0.451 ' O ' ' HA3' ' I' ' 1' ' ' GLY . 20.2 ptmt -109.77 155.94 20.95 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.951 179.775 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' J' J ' 30' ' ' THR . . . . . . . . . . . . . 23.7 m . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.367 -0.825 . . . . 0.0 110.147 -179.788 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' K' K ' 1' ' ' GLY . . . . . 0.435 ' HA3' ' O ' ' L' ' 29' ' ' LYS . . . . . . . . 0 N--CA 1.488 2.125 0 CA-C-O 120.866 0.148 . . . . 0.0 112.734 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' K' K ' 2' ' ' ILE . . . . . . . . . . . . . 5.0 tt -50.59 -42.74 22.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 N-CA-C 112.505 0.558 . . . . 0.0 112.505 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' K' K ' 3' ' ' VAL . . . . . 0.574 HG11 ' HG3' ' L' ' 4' ' ' GLN . 22.0 t -53.5 -55.49 12.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 120.704 0.288 . . . . 0.0 111.613 -179.567 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' K' K ' 4' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -62.21 -41.79 98.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.713 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' K' K ' 5' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -57.5 -42.2 82.25 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.392 0.615 . . . . 0.0 110.918 179.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' K' K ' 6' ' ' CYS . . . . . 0.437 ' HB2' HD13 ' L' ' 11' ' ' LEU . 82.0 m -89.07 2.28 54.31 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.269 -179.213 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' K' K ' 7' ' ' CYS . . . . . . . . . . . . . 9.8 t -112.66 -18.58 12.32 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.878 0.37 . . . . 0.0 110.964 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' K' K ' 8' ' ' THR . . . . . . . . . . . . . 9.2 t -76.99 -22.7 52.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.626 -179.05 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' K' K ' 9' ' ' SER . . . . . . . . . . . . . 21.4 t -163.42 11.4 0.06 Allowed 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 121.281 -0.168 . . . . 0.0 111.158 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' K' K ' 10' ' ' ILE . . . . . 0.412 ' HA ' ' O ' ' K' ' 6' ' ' CYS . 2.5 mp 66.48 119.18 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 CA-C-O 121.384 0.611 . . . . 0.0 111.085 -179.598 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' K' K ' 11' ' ' CYS . . . . . . . . . . . . . 63.4 m -72.79 141.35 48.06 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.262 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' K' K ' 12' ' ' SER . . . . . . . . . . . . . 45.3 t -80.86 166.02 21.29 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 177.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' K' K ' 13' ' ' LEU . . . . . . . . . . . . . 9.5 mp -60.27 -32.01 70.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.07 0.462 . . . . 0.0 110.342 179.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' K' K ' 14' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -70.17 -17.06 63.16 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.45 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -95.81 -39.32 9.9 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.898 0.38 . . . . 0.0 110.21 179.077 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' K' K ' 16' ' ' LEU . . . . . . . . . . . . . 87.4 mt -66.82 -31.01 71.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.435 179.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' K' K ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.22 -30.23 66.33 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.271 179.669 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' K' K ' 18' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -61.21 -24.84 66.63 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.759 -0.655 . . . . 0.0 112.07 179.411 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' K' K ' 19' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -107.6 8.34 29.13 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.941 -177.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' K' K ' 20' ' ' CYS . . . . . . . . . . . . . 8.1 t -78.79 150.68 32.3 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.893 0.378 . . . . 0.0 110.906 -179.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' K' K ' 21' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.521 -179.65 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' L' L ' 1' ' ' PHE . . . . . 0.43 ' O ' ' HB3' ' L' ' 4' ' ' GLN . 52.5 t80 . . . . . 0 N--CA 1.481 1.121 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' L' L ' 2' ' ' VAL . . . . . 0.495 ' O ' ' HG ' ' L' ' 6' ' ' LEU . 16.5 m -72.65 -39.54 60.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 C-N-CA 120.53 -0.468 . . . . 0.0 111.679 -178.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' L' L ' 3' ' ' ASN . . . . . 0.567 ' O ' ' HB3' ' L' ' 7' ' ' CYS . 25.3 m-20 -72.73 -4.7 32.97 Favored 'General case' 0 C--O 1.216 -0.679 0 CA-C-O 121.182 0.515 . . . . 0.0 109.808 178.558 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' L' L ' 4' ' ' GLN . . . . . 0.574 ' HG3' HG11 ' K' ' 3' ' ' VAL . 29.2 tt0 -72.01 -17.83 62.01 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 177.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' L' L ' 5' ' ' HIS . . . . . 0.437 ' HA ' ' HE2' ' J' ' 16' ' ' TYR . 36.3 t60 -112.83 -2.86 14.27 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.995 178.741 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' L' L ' 6' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' L' ' 2' ' ' VAL . 8.0 mt -113.74 -39.77 3.94 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.487 0.661 . . . . 0.0 110.085 -179.146 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' L' L ' 7' ' ' CYS . . . . . 0.567 ' HB3' ' O ' ' L' ' 3' ' ' ASN . 0.5 OUTLIER -88.78 -33.63 17.38 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 178.072 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' L' L ' 8' ' ' GLY . . . . . . . . . . . . . . . -61.55 -26.6 66.78 Favored Glycine 0 N--CA 1.449 -0.44 0 CA-C-N 115.585 -0.734 . . . . 0.0 112.699 178.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' L' L ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.09 10.32 3.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.981 0.42 . . . . 0.0 111.721 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' L' L ' 10' ' ' HIS . . . . . . . . . . . . . 39.0 m-70 -113.82 -39.45 3.99 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 178.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' L' L ' 11' ' ' LEU . . . . . 0.474 ' H ' ' HG ' ' L' ' 11' ' ' LEU . 0.1 OUTLIER -64.72 -25.52 67.97 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.36 -0.837 . . . . 0.0 109.908 179.344 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' L' L ' 12' ' ' VAL . . . . . . . . . . . . . 5.8 m -60.68 -49.21 85.39 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 -179.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' L' L ' 13' ' ' GLU . . . . . 0.863 ' HA ' ' HE1' ' L' ' 16' ' ' TYR . 63.3 tt0 -66.18 -33.72 76.41 Favored 'General case' 0 CA--C 1.521 -0.163 0 C-N-CA 120.56 -0.456 . . . . 0.0 110.375 -179.529 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' L' L ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.1 -40.14 78.58 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.764 179.087 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' L' L ' 15' ' ' LEU . . . . . . . . . . . . . 12.1 mt -57.16 -55.0 40.41 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.265 -179.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' L' L ' 16' ' ' TYR . . . . . 0.92 ' HB2' ' HG3' ' J' ' 28' ' ' PRO . 3.3 p90 -79.65 3.14 20.0 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 119.555 -0.858 . . . . 0.0 111.196 -179.705 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' L' L ' 17' ' ' LEU . . . . . 0.58 ' HB2' ' O ' ' L' ' 13' ' ' GLU . 5.3 tt -88.38 -44.41 10.79 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 107.807 -1.182 . . . . 0.0 107.807 177.696 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' L' L ' 18' ' ' VAL . . . . . . . . . . . . . 87.3 t -65.29 -39.09 84.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.802 178.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' L' L ' 19' ' ' CYS . . . . . 0.841 ' HB3' ' HB2' ' L' ' 22' ' ' ARG . 92.8 m -79.26 -20.74 47.38 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.063 179.52 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' L' L ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.99 -101.01 0.75 Allowed Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 121.107 -0.568 . . . . 0.0 112.171 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' L' L ' 21' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -97.97 1.43 47.9 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.283 0.563 . . . . 0.0 109.836 179.208 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' L' L ' 22' ' ' ARG . . . . . 0.841 ' HB2' ' HB3' ' L' ' 19' ' ' CYS . 45.8 mtp85 -88.15 151.01 23.01 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.219 178.747 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' L' L ' 23' ' ' GLY . . . . . 0.765 ' HA2' ' HD2' ' J' ' 28' ' ' PRO . . . -88.96 -168.11 43.63 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.49 -0.862 . . . . 0.0 112.461 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' L' L ' 24' ' ' PHE . . . . . 0.737 ' CE1' ' HB3' ' L' ' 16' ' ' TYR . 17.4 p90 -167.61 171.24 10.41 Favored 'General case' 0 C--O 1.24 0.582 0 CA-C-O 121.272 0.558 . . . . 0.0 110.94 179.643 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' L' L ' 25' ' ' PHE . . . . . 0.543 ' HD1' ' HD1' ' J' ' 25' ' ' PHE . 40.1 m-85 -109.96 136.24 49.55 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.087 179.291 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' L' L ' 26' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -134.05 121.2 21.21 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.493 -179.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' L' L ' 27' ' ' THR . . . . . 0.568 HG22 ' HA3' ' J' ' 23' ' ' GLY . 1.9 p -127.58 99.62 26.57 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.406 -179.439 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' L' L ' 28' ' ' PRO . . . . . 0.93 ' HG3' ' HB2' ' J' ' 16' ' ' TYR . 94.3 Cg_endo -78.99 51.42 3.85 Favored 'Trans proline' 0 C--O 1.234 0.282 0 C-N-CA 122.987 2.458 . . . . 0.0 112.025 179.305 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' L' L ' 29' ' ' LYS . . . . . 0.435 ' O ' ' HA3' ' K' ' 1' ' ' GLY . 20.5 ptmt -110.44 156.76 20.38 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.827 179.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' L' L ' 30' ' ' THR . . . . . . . . . . . . . 24.6 m . . . . . 0 C--O 1.251 1.133 0 CA-C-O 118.551 -0.738 . . . . 0.0 109.637 -179.863 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' IPH . . . . . 0.512 ' H3 ' HD11 ' H' ' 17' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 22' ' ' IPH . . . . . 0.509 ' H3 ' HD11 ' J' ' 17' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 22' ' ' IPH . . . . . 0.512 ' H3 ' HD11 ' L' ' 17' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 22' ' ' IPH . . . . . 0.513 ' H3 ' HD11 ' B' ' 17' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 22' ' ' IPH . . . . . 0.525 ' H3 ' HD11 ' D' ' 17' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' K' K ' 22' ' ' IPH . . . . . 0.52 ' H3 ' HD11 ' F' ' 17' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_